A0A2K6CZK8_MACNE Loading...

Copine-2

Calcium-dependent phospholipid-binding protein that plays a role in calcium-mediated intracellular processes. Exhibits calcium-dependent cell membrane binding properties.

AlphaFold DB , UniProt , Accession A0A2K6CZK8, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene CPNE2, Length 548 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	37.6	Very low	28.8	Very low	249 Å²	249	126.3 Å²	126.3	100%	1.227	84%	0.839	S	S	*	*				0	131.2	0	-79.4	-179.6	-176.5	0	0	107.5
2	A	29.5	Very low	29	Very low	94 Å²	94	124.8 Å²	124.8	78%	0.777	84%	0.843	S	S	*	*			trans	-66.1	137.9	-161.8	0	0	0	0	0	113.5
3	H	24.9	Very low	29	Very low	193 Å²	193	121.5 Å²	121.5	89%	0.894	84%	0.844	S	S	*	*			trans	-80.8	113.1	166.8	-136.8	-58.2	0	0	0	107.3
4	I	30	Very low	28.8	Very low	146 Å²	146	119.8 Å²	119.8	75%	0.749	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-91	123.7	173.6	-59.3	174.7	0	0	0	107
5	P	28.4	Very low	28.7	Very low	113 Å²	113	117.5 Å²	117.5	73%	0.734	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.6	137.6	172.9	-5.3	22.4	0	0	0	110.5
6	S	28.6	Very low	28.4	Very low	118 Å²	118	118.1 Å²	118.1	83%	0.825	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-58.5	128.6	172.3	46.7	0	0	0	0	111.6
7	G	26.2	Very low	28.6	Very low	77 Å²	77	122.2 Å²	122.2	79%	0.794	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-60.6	136.6	177.4	0	0	0	0	0	112.9
8	G	25.7	Very low	28.7	Very low	76 Å²	76	118.4 Å²	118.4	78%	0.784	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-66.1	142.9	171.5	0	0	0	0	0	111.5
9	A	27.3	Very low	28.9	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-59.7	139.9	172	0	0	0	0	0	110.7
10	P	29.8	Very low	29.3	Very low	126 Å²	126	122.7 Å²	122.7	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-67.4	139.9	172.9	25.8	-28.8	0	0	0	110.3	A12	P10-A12 PolarHBondContact O-N 2.76Å
11	A	28.8	Very low	30.3	Very low	103 Å²	103	121.5 Å²	121.5	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.8	176.4	0	0	0	0	0	110.7
12	A	30.9	Very low	30.8	Very low	108 Å²	108	115.6 Å²	115.6	89%	0.893	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.4	136.4	169.6	0	0	0	0	0	109.7	P10	P10-A12 PolarHBondContact O-N 2.76Å
13	G	28.8	Very low	32.4	Very low	83 Å²	83	114 Å²	114	86%	0.856	77%	0.768	S	S	*	*			trans	136.6	53.6	167.1	0	0	0	0	0	115.5
14	A	27.4	Very low	35.1	Very low	97 Å²	97	106.3 Å²	106.3	80%	0.802	74%	0.736	S	S	*	*			trans	-115.2	112.2	148	0	0	0	0	0	105.4
15	A	26.3	Very low	38.1	Very low	86 Å²	86	103.9 Å²	103.9	71%	0.711	72%	0.72	S	S	*	*			trans	-54.9	141.4	168.8	0	0	0	0	0	108.2	M17	A15-M17 PolarHBondContact O-N 3.21Å
16	P	25.1	Very low	41.2	Very low	126 Å²	126	98.5 Å²	98.5	82%	0.818	69%	0.685	S	S	*	*			trans	-62.6	110.8	173.7	26.1	-29.6	0	0	0	107	G18	P16-G18 PolarHBondContact O-N 3.28Å
17	M	30.7	Very low	44.4	Very low	188 Å²	188	95.2 Å²	95.2	93%	0.926	66%	0.656	S	S	*	*			trans	-50.9	126.3	165	-76.1	-175	177.4	0	0	106.7	A15	A15-M17 PolarHBondContact O-N 3.21Å
18	G	29.9	Very low	47.9	Very low	54 Å²	54	91.5 Å²	91.5	56%	0.557	62%	0.618	S	S	*	*			trans	-52.4	168.7	173.3	0	0	0	0	0	111.5	P16 Q20	P16-G18 PolarHBondContact O-N 3.28Å; G18-Q20 PolarHBondContact O-N 3.49Å
19	P	33.1	Very low	51.3	Low	133 Å²	133	89.6 Å²	89.6	86%	0.864	59%	0.593	S	S	*	*	S	Bend	trans	-49.9	114.8	-172.5	21.7	-32	0	0	0	110.2	Y21	P19-Y21 PolarHBondContact O-N 2.86Å
20	Q	38	Very low	54.7	Low	189 Å²	189	85.3 Å²	85.3	88%	0.883	56%	0.557	S	S	*	*			trans	-44.1	123.7	176.5	-164.9	167.3	2.3	0	0	109	G18 C22	G18-Q20 PolarHBondContact O-N 3.49Å; Q20-C22 PolarHBondContact O-N 3.39Å
21	Y	49.5	Very low	58	Low	99 Å²	99	80.8 Å²	80.8	39%	0.388	53%	0.528	S	S	.	.			trans	-34.7	127.5	-176.3	-69	-82.3	0	0	0	111.9	P19 V23 A525	P19-Y21 PolarHBondContact O-N 2.86Å; Y21-V23 VanDerWaalsContact C-N 3.32Å; Y21-V23 PolarHBondContact O-N 2.76Å; Y21-A525 WeakPolarHBondContact CE1-O 3.44Å; Y21-A525 HydrophobicContact CE2-CB 4.39Å; Y21-A525 WeakPolarHBondContact OH-CA 3.49Å; Y21-A525 WeakPolarHBondContact OH-CB 3.47Å; Y21-A525 PolarHBondContact OH-O 2.65Å
22	C	48.2	Very low	61.2	Low	124 Å²	124	76 Å²	76	84%	0.838	49%	0.489	S	S	*	.			trans	-63	100.8	170.3	-158	0	0	0	0	106.8	Q20 C24	Q20-C22 PolarHBondContact O-N 3.39Å; C22-C24 PolarHBondContact O-N 2.61Å
23	V	63.8	Low	64.4	Low	60 Å²	60	74.4 Å²	74.4	36%	0.364	46%	0.463	S	S	.	.			trans	-59.7	110.3	176.5	177.3	0	0	0	0	107.5	Y21 D82 H84	Y21-V23 VanDerWaalsContact C-N 3.32Å; Y21-V23 PolarHBondContact O-N 2.76Å; V23-D82 HydrophobicContact CG1-CB 3.45Å; V23-D82 VanDerWaalsContact CG1-CB 3.45Å; V23-H84 VanDerWaalsContact CG2-CE1 3.48Å; V23-H84 WeakPolarHBondContact CG2-CE1 3.25Å
24	C	81.4	Confident	67.7	Low	32 Å²	32	74.5 Å²	74.5	22%	0.216	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.6	172.1	-69.7	0	0	0	0	108.7	C22 Y83 L297	C22-C24 PolarHBondContact O-N 2.61Å; C24-Y83 HydrophobicContact CB-CD1 4.39Å; C24-Y83 WeakPolarHBondContact O-CB 3.17Å; C24-Y83 PolarHBondContact O-N 3.2Å; C24-L297 HydrophobicContact CB-CD2 4.32Å
25	K	91.2	Very high	71	Confident	96 Å²	96	70.2 Å²	70.2	42%	0.417	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136	169.7	-74.2	-175.3	-178.4	-65.4	0	109.8	V80 L81 D82 L151	K25-V80 HydrophobicContact CB-CG1 4.19Å; K25-V80 HydrophobicContact CD-CG1 4.1Å; K25-V80 HydrophobicContact CG-CG1 4.43Å; K25-L81 CarbonylContact C-O 3.6Å; K25-L81 WeakPolarHBondContact CA-O 3.46Å; K25-D82 IonicContact NZ-OD1 2.8Å; K25-D82 PolarHBondContact NZ-OD1 2.74Å; K25-D82 IonicContact NZ-OD2 2.72Å; K25-L151 HydrophobicContact CB-CB 4.03Å; K25-L151 HydrophobicContact CB-CD1 4.46Å; K25-L151 PolarHBondContact O-N 2.86Å
26	V	94.6	Very high	74.2	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.7	175.4	177.8	0	0	0	0	109.2	L28 V80 L81 Y83 L118 V122 A148 Q149 L297	V26-L28 HydrophobicContact CG1-CD2 3.71Å; V26-L28 HydrophobicContact CG1-CG 4.41Å; V26-V80 WeakPolarHBondContact O-CA 2.83Å; V26-L81 PolarHBondContact N-O 2.78Å; V26-L81 PolarHBondContact O-N 3.11Å; V26-Y83 HydrophobicContact CG2-CG 4.24Å; V26-L118 HydrophobicContact CG1-CD1 4.18Å; V26-V122 HydrophobicContact CG1-CG1 4.05Å; V26-V122 HydrophobicContact CG2-CG1 4.19Å; V26-A148 HydrophobicContact CG1-CB 3.99Å; V26-Q149 WeakPolarHBondContact CA-O 3.28Å; V26-L297 HydrophobicContact CG2-CD2 3.47Å; V26-L297 VanDerWaalsContact CG2-CD2 3.47Å
27	E	96.4	Very high	77.3	Confident	48 Å²	48	65.9 Å²	65.9	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.1	169.2	-171.6	179.3	89.8	0	0	110.1	K78 F79 V80 A148 Q149 L151	E27-K78 HydrophobicContact CG-CB 3.45Å; E27-K78 VanDerWaalsContact CG-CB 3.45Å; E27-K78 HydrophobicContact CG-CG 3.93Å; E27-F79 CarbonylContact C-O 3.59Å; E27-F79 WeakPolarHBondContact CA-O 3.26Å; E27-V80 HydrophobicContact CG-CG2 4.44Å; E27-A148 WeakPolarHBondContact O-CA 2.8Å; E27-Q149 PolarHBondContact N-O 3.04Å; E27-Q149 PolarHBondContact O-N 3.44Å; E27-L151 HydrophobicContact CB-CD1 3.94Å; E27-L151 HydrophobicContact CB-CD2 3.85Å; E27-L151 HydrophobicContact CB-CG 3.75Å
28	L	98.1	Very high	79.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.1	174.1	-55.5	-175.2	0	0	0	110.8	V26 K78 F79 L81 L91 F93 L118 I121 I146 A147 A148	V26-L28 HydrophobicContact CG1-CD2 3.71Å; V26-L28 HydrophobicContact CG1-CG 4.41Å; L28-K78 WeakPolarHBondContact O-CA 3.32Å; L28-F79 HydrophobicContact CB-CB 4.29Å; L28-F79 PolarHBondContact N-O 2.88Å; L28-F79 PolarHBondContact O-N 2.96Å; L28-L81 HydrophobicContact CD1-CD1 3.54Å; L28-L81 HydrophobicContact CG-CD1 4.17Å; L28-L91 HydrophobicContact CD1-CD1 3.88Å; L28-F93 HydrophobicContact CD1-CE1 4.38Å; L28-F93 HydrophobicContact CD1-CZ 3.91Å; L28-L118 HydrophobicContact CD1-CD1 4.17Å; L28-L118 HydrophobicContact CD2-CD1 4.12Å; L28-I121 HydrophobicContact CD1-CD1 4.03Å; L28-I121 HydrophobicContact CD2-CG2 3.99Å; L28-I146 HydrophobicContact CB-CG2 4.29Å; L28-I146 HydrophobicContact CD1-CG2 4.46Å; L28-I146 HydrophobicContact CD2-CG2 4.37Å; L28-A147 WeakPolarHBondContact CA-O 3.47Å; L28-A148 HydrophobicContact CD2-CB 3.7Å
29	S	98.1	Very high	82.2	Confident	35 Å²	35	61.8 Å²	61.8	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.7	166.9	-71.9	0	0	0	0	110.3	K78 I146 A147	S29-K78 VanDerWaalsContact OG-CD 3.25Å; S29-K78 WeakPolarHBondContact OG-CD 3.32Å; S29-K78 WeakPolarHBondContact OG-CE 3.39Å; S29-K78 PolarHBondContact OG-NZ 2.77Å; S29-I146 CarbonylContact O-C 3.52Å; S29-I146 VanDerWaalsContact O-CA 3.28Å; S29-I146 WeakPolarHBondContact O-CA 3.29Å; S29-A147 PolarHBondContact N-O 3.23Å; S29-A147 PolarHBondContact O-N 3.09Å
30	V	98.4	Very high	84.2	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.5	179.6	-174.9	0	0	0	0	111.2	C48 F75 F79 F93 I144 T145 I146	V30-C48 HydrophobicContact CG1-CB 4.49Å; V30-F75 HydrophobicContact CB-CD2 4.3Å; V30-F75 HydrophobicContact CG1-CD2 4.28Å; V30-F75 WeakPolarHBondContact O-CD2 3.49Å; V30-F75 PolarHBondContact O-N 3.3Å; V30-F75 VanDerWaalsContact O-N 3.15Å; V30-F79 HydrophobicContact CG2-CD2 3.95Å; V30-F79 HydrophobicContact CG2-CE2 3.8Å; V30-F93 HydrophobicContact CG2-CD1 4.01Å; V30-F93 HydrophobicContact CG2-CE1 3.88Å; V30-I144 HydrophobicContact CG1-CD1 3.84Å; V30-I144 HydrophobicContact CG1-CG1 3.89Å; V30-T145 CarbonylContact C-O 3.55Å; V30-T145 WeakPolarHBondContact CA-O 3.3Å; V30-I146 HydrophobicContact CG2-CG1 4.31Å
31	S	98.4	Very high	86	Confident	30 Å²	30	60.1 Å²	60.1	21%	0.21	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.9	167.9	61.8	0	0	0	0	111.8	P73 I144 T145	S31-P73 CarbonylContact C-O 3.18Å; S31-P73 WeakPolarHBondContact CA-O 3.48Å; S31-P73 WeakPolarHBondContact CB-O 3.29Å; S31-I144 CarbonylContact O-C 3.59Å; S31-I144 WeakPolarHBondContact O-CA 3.5Å; S31-T145 PolarHBondContact N-O 3.43Å; S31-T145 PolarHBondContact O-N 2.9Å
32	G	97.9	Very high	87.6	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	156.5	174.6	0	0	0	0	0	111.6	N72 P73 L143	G32-N72 CarbonylContact O-C 3.58Å; G32-N72 VanDerWaalsContact O-C 3.29Å; G32-N72 VanDerWaalsContact O-CA 3.23Å; G32-N72 WeakPolarHBondContact O-CA 3.41Å; G32-P73 PolarHBondContact N-O 2.92Å; G32-L143 CarbonylContact C-O 3.55Å; G32-L143 WeakPolarHBondContact CA-O 3.45Å
33	Q	97.9	Very high	89.5	Confident	76 Å²	76	56.4 Å²	56.4	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.4	171.5	-59.2	176.6	10	0	0	110.2	L35 L71 N72 G142 L143	Q33-L35 PolarHBondContact O-N 3.24Å; Q33-L71 CarbonylContact C-O 3.53Å; Q33-N72 WeakPolarHBondContact CA-OD1 3.5Å; Q33-G142 CarbonylContact O-C 3.56Å; Q33-G142 WeakPolarHBondContact O-CA 3.48Å; Q33-L143 HydrophobicContact CB-CB 4.27Å; Q33-L143 PolarHBondContact N-O 3.05Å; Q33-L143 PolarHBondContact O-N 2.91Å
34	N	96.6	Very high	90.8	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	29%	0.285	S	S	.	.	S	Bend	trans	49.4	41.5	178.4	-53	-56.2	0	0	0	113.4	L71 N72 K141 G142	N34-L71 PolarHBondContact N-O 3.16Å; N34-L71 VanDerWaalsContact N-O 3.08Å; N34-N72 PolarHBondContact N-OD1 3.16Å; N34-K141 HydrophobicContact CB-CB 4.15Å; N34-K141 CarbonylContact O-C 3.57Å; N34-G142 VanDerWaalsContact O-CA 3.24Å; N34-G142 WeakPolarHBondContact O-CA 3.22Å; N34-G142 PolarHBondContact O-N 2.94Å
35	L	96.8	Very high	91.4	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.5	156.2	178.4	-59.1	-177.1	0	0	0	110.9	Q33 D37 P46 L71 P73 L95 L111 L131	Q33-L35 PolarHBondContact O-N 3.24Å; L35-D37 PolarHBondContact O-N 3.38Å; L35-P46 HydrophobicContact CD1-CB 3.71Å; L35-P46 HydrophobicContact CD1-CG 3.87Å; L35-L71 WeakPolarHBondContact CG-O 3.16Å; L35-L71 PolarHBondContact N-O 3.2Å; L35-P73 HydrophobicContact CD1-CG 3.71Å; L35-L95 HydrophobicContact CD1-CD2 3.59Å; L35-L95 HydrophobicContact CD2-CD2 3.88Å; L35-L95 HydrophobicContact CG-CD2 4.41Å; L35-L111 HydrophobicContact CD1-CD1 4.46Å; L35-L131 HydrophobicContact CD2-CD1 3.44Å; L35-L131 VanDerWaalsContact CD2-CD1 3.44Å
36	L	93	Very high	91.7	Very high	41 Å²	41	49.1 Å²	49.1	22%	0.215	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.1	138.9	174.4	-70.9	176.2	0	0	0	109.6	S44 L111 L133 A139	L36-S44 PolarHBondContact O-OG 3.03Å; L36-L111 HydrophobicContact CB-CD2 4.07Å; L36-L111 WeakPolarHBondContact O-CD2 3.46Å; L36-L133 HydrophobicContact CD1-CD2 4.02Å; L36-A139 HydrophobicContact CD1-CB 4.11Å
37	D	90.9	Very high	91.8	Very high	81 Å²	81	49.3 Å²	49.3	43%	0.433	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-96.5	116.3	172.6	-156.4	-4.3	0	0	0	108.1	L35 K43 S44 L71	L35-D37 PolarHBondContact O-N 3.38Å; D37-K43 VanDerWaalsContact OD1-CA 3.32Å; D37-K43 WeakPolarHBondContact OD1-CA 3.41Å; D37-S44 PolarHBondContact OD1-N 3.19Å; D37-S44 VanDerWaalsContact OD1-N 3.14Å; D37-L71 HydrophobicContact CB-CD1 4.07Å; D37-L71 HydrophobicContact CB-CD2 4.23Å
38	R	86.2	Confident	91.9	Very high	113 Å²	113	47 Å²	47	43%	0.426	26%	0.255	S	S	.	.			trans	-104.9	-17.1	-179.1	-65.8	-67.5	-171.5	160.2	5.7	112.8	S44 D97 D109 F110 L111	R38-S44 PolarHBondContact N-OG 3.35Å; R38-D97 WeakPolarHBondContact CB-OD2 3.35Å; R38-D109 HydrophobicContact CB-CB 4.28Å; R38-D109 HydrophobicContact CG-CB 4.1Å; R38-F110 PolarHBondContact NH2-O 2.78Å; R38-L111 HydrophobicContact CG-CD2 3.67Å
39	D	77.4	Confident	91.9	Very high	42 Å²	42	47 Å²	47	23%	0.225	26%	0.255	C	S	.	.			trans	-78.7	144.4	177.9	-83.8	-14.9	0	0	0	112.4	S42	D39-S42 WeakPolarHBondContact CB-O 3.29Å; D39-S42 WeakPolarHBondContact CB-OG 3.24Å; D39-S42 VanDerWaalsContact CG-OG 3.24Å; D39-S42 WeakPolarHBondContact OD2-CB 3.3Å; D39-S42 PolarHBondContact OD2-OG 2.96Å
40	V	74.7	Confident	92	Very high	147 Å²	147	45.4 Å²	45.4	89%	0.891	24%	0.243	S	C	*	.	S	Bend	trans	-86.7	-32.4	-179.1	-179.2	0	0	0	0	111.7
41	T	75.8	Confident	92	Very high	140 Å²	140	46.7 Å²	46.7	86%	0.859	25%	0.248	S	C	*	.	S	Bend	trans	-120.1	-8.7	-173.1	53.2	0	0	0	0	114
42	S	83.6	Confident	91.9	Very high	42 Å²	42	46.9 Å²	46.9	29%	0.294	25%	0.248	S	C	.	.	S	Bend	trans	-133.5	179.9	-177.4	33.3	0	0	0	0	109.3	D39 N69	D39-S42 WeakPolarHBondContact CB-O 3.29Å; D39-S42 WeakPolarHBondContact CB-OG 3.24Å; D39-S42 VanDerWaalsContact CG-OG 3.24Å; D39-S42 WeakPolarHBondContact OD2-CB 3.3Å; D39-S42 PolarHBondContact OD2-OG 2.96Å; S42-N69 WeakPolarHBondContact CB-OD1 3.23Å
43	K	87.2	Confident	91.7	Very high	103 Å²	103	49.8 Å²	49.8	45%	0.448	26%	0.261	S	S	.	.			trans	-92.4	151.3	162.8	-69.5	171.6	-179.9	174.9	0	108.1	D37 N69 L71	D37-K43 VanDerWaalsContact OD1-CA 3.32Å; D37-K43 WeakPolarHBondContact OD1-CA 3.41Å; K43-N69 HydrophobicContact CB-CB 4.37Å; K43-N69 WeakPolarHBondContact CD-O 3.21Å; K43-N69 PolarHBondContact N-OD1 3.24Å; K43-N69 WeakPolarHBondContact O-CA 3.48Å; K43-N69 PolarHBondContact O-OD1 2.54Å; K43-L71 HydrophobicContact CB-CD2 4.25Å; K43-L71 HydrophobicContact CB-CG 4.18Å; K43-L71 HydrophobicContact CD-CG 4.25Å; K43-L71 HydrophobicContact CG-CD1 4.38Å; K43-L71 HydrophobicContact CG-CG 4.21Å
44	S	91.6	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.			trans	-46	146.8	168.7	-66.3	0	0	0	0	114.2	L36 D37 R38 P46 N70 D97	L36-S44 PolarHBondContact O-OG 3.03Å; D37-S44 PolarHBondContact OD1-N 3.19Å; D37-S44 VanDerWaalsContact OD1-N 3.14Å; R38-S44 PolarHBondContact N-OG 3.35Å; S44-P46 WeakPolarHBondContact O-CD 3.07Å; S44-N70 PolarHBondContact O-N 3.1Å; S44-D97 WeakPolarHBondContact CA-OD1 3.28Å; S44-D97 VanDerWaalsContact CA-OD2 3.27Å; S44-D97 WeakPolarHBondContact CA-OD2 3.33Å; S44-D97 VanDerWaalsContact CB-CG 3.43Å; S44-D97 WeakPolarHBondContact CB-OD2 3.41Å; S44-D97 PolarHBondContact OG-OD2 2.9Å
45	D	94.5	Very high	90.6	Very high	35 Å²	35	54.1 Å²	54.1	19%	0.187	29%	0.287	C	S	.	.			trans	-103.6	72.8	175.1	-69.1	-25.1	0	0	0	109.8	T66 A67 I68 N69 D97 Q98	D45-T66 HydrophobicContact CB-CG2 3.84Å; D45-T66 VanDerWaalsContact O-CG2 3.22Å; D45-T66 WeakPolarHBondContact O-CG2 3.44Å; D45-A67 CarbonylContact C-O 3.57Å; D45-A67 WeakPolarHBondContact CA-O 3.48Å; D45-I68 VanDerWaalsContact OD1-CA 3.28Å; D45-I68 WeakPolarHBondContact OD1-CA 3.49Å; D45-N69 PolarHBondContact OD1-N 2.99Å; D45-N69 PolarHBondContact OD1-ND2 2.8Å; D45-N69 VanDerWaalsContact OD1-ND2 3.15Å; D45-D97 WeakPolarHBondContact CA-OD1 3.32Å; D45-D97 PolarHBondContact N-OD1 3.37Å; D45-Q98 HydrophobicContact CB-CB 4.33Å; D45-Q98 PolarHBondContact O-N 3.42Å
46	P	97.1	Very high	90	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.9	-171	27	-37.9	0	0	0	114.4	L35 S44 A67 N70 P73 F75 F96 L111	L35-P46 HydrophobicContact CD1-CB 3.71Å; L35-P46 HydrophobicContact CD1-CG 3.87Å; S44-P46 WeakPolarHBondContact O-CD 3.07Å; P46-A67 WeakPolarHBondContact CD-O 3.41Å; P46-A67 HydrophobicContact CG-CB 4.31Å; P46-A67 PolarHBondContact O-N 3.41Å; P46-N70 WeakPolarHBondContact CD-O 3.41Å; P46-N70 WeakPolarHBondContact CG-O 3.29Å; P46-P73 HydrophobicContact CB-CG 4.27Å; P46-P73 HydrophobicContact CG-CB 4.02Å; P46-P73 HydrophobicContact CG-CG 3.68Å; P46-F75 WeakPolarHBondContact O-CE1 3.37Å; P46-F96 CarbonylContact C-O 3.47Å; P46-F96 WeakPolarHBondContact CA-O 3.29Å; P46-L111 HydrophobicContact CB-CD1 3.78Å
47	F	97.9	Very high	90	Very high	5 Å²	5	64.1 Å²	64.1	2%	0.022	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.7	160.2	66.3	-82.1	0	0	0	110.5	V49 L95 F96 Q98 L105 H108	F47-V49 HydrophobicContact CD2-CG2 3.88Å; F47-V49 HydrophobicContact CE2-CG2 3.59Å; F47-L95 WeakPolarHBondContact O-CA 3.22Å; F47-F96 HydrophobicContact CD1-CB 4.2Å; F47-F96 WeakPolarHBondContact CD1-O 3.37Å; F47-F96 HydrophobicContact CE1-CB 3.54Å; F47-F96 HydrophobicContact CE2-CB 4.06Å; F47-F96 HydrophobicContact CE2-CD2 4.13Å; F47-F96 HydrophobicContact CE2-CG 4.4Å; F47-F96 HydrophobicContact CZ-CB 3.47Å; F47-F96 VanDerWaalsContact CZ-CB 3.47Å; F47-F96 HydrophobicContact CZ-CD2 4.26Å; F47-F96 HydrophobicContact CZ-CG 4.06Å; F47-F96 PolarHBondContact N-O 3.2Å; F47-F96 PolarHBondContact O-N 2.92Å; F47-Q98 HydrophobicContact CD1-CB 3.97Å; F47-Q98 HydrophobicContact CE1-CB 4Å; F47-Q98 HydrophobicContact CE1-CG 4.49Å; F47-L105 HydrophobicContact CE2-CD2 3.99Å; F47-L105 HydrophobicContact CZ-CD2 4.16Å; F47-H108 HydrophobicContact CE1-CB 4.4Å; F47-H108 HydrophobicContact CZ-CB 4.39Å; F47-H108 AromaticContact CZ-CD2 3.62Å; F47-H108 AromaticContact CZ-CG 3.99Å
48	C	98.4	Very high	90.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.5	179.4	-176	0	0	0	0	111.1	V30 R63 T64 F75 A94 L95	V30-C48 HydrophobicContact CG1-CB 4.49Å; C48-R63 CarbonylContact O-C 3.57Å; C48-R63 VanDerWaalsContact O-CA 3.26Å; C48-R63 WeakPolarHBondContact O-CA 3.19Å; C48-T64 HydrophobicContact CB-CG2 3.92Å; C48-T64 PolarHBondContact N-OG1 3.11Å; C48-T64 PolarHBondContact O-N 3.19Å; C48-F75 HydrophobicContact CB-CD2 4.3Å; C48-F75 HydrophobicContact CB-CE2 3.88Å; C48-F75 HydrophobicContact CB-CZ 4.28Å; C48-A94 CarbonylContact C-O 3.53Å; C48-A94 WeakPolarHBondContact CA-O 3.41Å; C48-L95 HydrophobicContact CB-CG 4.25Å
49	V	98.4	Very high	90.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	174	-172.7	0	0	0	0	108.8	F47 F51 E60 R63 F93 A94 F96 L105	F47-V49 HydrophobicContact CD2-CG2 3.88Å; F47-V49 HydrophobicContact CE2-CG2 3.59Å; V49-F51 HydrophobicContact CB-CE2 3.81Å; V49-F51 HydrophobicContact CB-CZ 4.3Å; V49-F51 HydrophobicContact CG1-CD2 4.07Å; V49-F51 HydrophobicContact CG1-CE1 4.31Å; V49-F51 HydrophobicContact CG1-CE2 3.45Å; V49-F51 VanDerWaalsContact CG1-CE2 3.45Å; V49-F51 HydrophobicContact CG1-CZ 3.59Å; V49-E60 HydrophobicContact CG1-CB 4.49Å; V49-E60 HydrophobicContact CG1-CG 3.61Å; V49-R63 HydrophobicContact CG2-CB 4.14Å; V49-F93 WeakPolarHBondContact O-CA 3.4Å; V49-A94 PolarHBondContact N-O 3.2Å; V49-A94 PolarHBondContact O-N 3.11Å; V49-F96 HydrophobicContact CB-CE2 4.28Å; V49-F96 HydrophobicContact CG2-CD2 3.9Å; V49-F96 HydrophobicContact CG2-CE2 3.9Å; V49-L105 HydrophobicContact CG2-CD2 3.89Å
50	L	98.6	Very high	91.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.7	171.5	177.1	60.5	0	0	0	109.4	Y61 D62 F79 L81 L91 K92 F93	L50-Y61 HydrophobicContact CD2-CD1 3.9Å; L50-Y61 HydrophobicContact CD2-CG 4.39Å; L50-Y61 WeakPolarHBondContact O-CB 3.29Å; L50-Y61 PolarHBondContact O-N 3.28Å; L50-D62 PolarHBondContact N-O 3.13Å; L50-F79 HydrophobicContact CB-CD1 4.04Å; L50-F79 HydrophobicContact CB-CD2 4.16Å; L50-F79 HydrophobicContact CB-CE1 3.87Å; L50-F79 HydrophobicContact CB-CE2 4Å; L50-F79 HydrophobicContact CB-CG 4.16Å; L50-F79 HydrophobicContact CB-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CB 3.65Å; L50-F79 HydrophobicContact CD2-CD1 4.03Å; L50-F79 HydrophobicContact CD2-CD2 4.01Å; L50-F79 HydrophobicContact CD2-CG 3.63Å; L50-L81 HydrophobicContact CD2-CD1 4.16Å; L50-L81 HydrophobicContact CD2-CD2 4.33Å; L50-L91 HydrophobicContact CD1-CB 4.07Å; L50-L91 HydrophobicContact CD1-CD2 4.28Å; L50-K92 CarbonylContact C-O 3.58Å; L50-F93 HydrophobicContact CD1-CD1 3.98Å; L50-F93 HydrophobicContact CD1-CD2 4.45Å; L50-F93 HydrophobicContact CD1-CE1 3.67Å; L50-F93 HydrophobicContact CD1-CE2 4.14Å; L50-F93 HydrophobicContact CD1-CG 4.36Å; L50-F93 HydrophobicContact CD1-CZ 3.74Å
51	F	98.4	Very high	92.7	Very high	32 Å²	32	62 Å²	62	14%	0.14	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.9	169.8	-60.3	-97.2	0	0	0	110.5	V49 W58 I59 E60 L91 K92 A94 L105	V49-F51 HydrophobicContact CB-CE2 3.81Å; V49-F51 HydrophobicContact CB-CZ 4.3Å; V49-F51 HydrophobicContact CG1-CD2 4.07Å; V49-F51 HydrophobicContact CG1-CE1 4.31Å; V49-F51 HydrophobicContact CG1-CE2 3.45Å; V49-F51 VanDerWaalsContact CG1-CE2 3.45Å; V49-F51 HydrophobicContact CG1-CZ 3.59Å; F51-W58 HydrophobicContact CB-CB 4.35Å; F51-W58 HydrophobicContact CB-CE3 3.8Å; F51-W58 HydrophobicContact CD1-CB 4.37Å; F51-I59 CarbonylContact C-O 3.6Å; F51-I59 WeakPolarHBondContact CA-O 3.13Å; F51-E60 HydrophobicContact CD1-CB 4.1Å; F51-E60 HydrophobicContact CE1-CB 3.86Å; F51-L91 WeakPolarHBondContact O-CA 3.29Å; F51-K92 HydrophobicContact CB-CB 4.19Å; F51-K92 HydrophobicContact CD2-CD 4.42Å; F51-K92 HydrophobicContact CD2-CG 4.43Å; F51-K92 PolarHBondContact N-O 2.92Å; F51-K92 PolarHBondContact O-N 3.38Å; F51-A94 HydrophobicContact CD2-CB 4.46Å; F51-A94 HydrophobicContact CE2-CB 3.94Å; F51-L105 HydrophobicContact CE1-CD1 4.38Å; F51-L105 HydrophobicContact CZ-CD1 3.62Å
52	T	97.3	Very high	93.8	Very high	34 Å²	34	57.8 Å²	57.8	21%	0.209	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.2	168.6	53.4	0	0	0	0	109.4	W58 I59 Y61 L81 L91	T52-W58 WeakPolarHBondContact O-CA 3.43Å; T52-I59 PolarHBondContact N-O 3.02Å; T52-I59 PolarHBondContact O-N 2.86Å; T52-Y61 HydrophobicContact CG2-CD2 3.82Å; T52-Y61 HydrophobicContact CG2-CG 4.11Å; T52-L81 HydrophobicContact CG2-CD2 4.2Å; T52-L91 HydrophobicContact CG2-CD2 3.87Å
53	E	94.3	Very high	94.4	Very high	64 Å²	64	58.6 Å²	58.6	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.7	172.9	-169.8	-174.6	-122.7	0	0	110.2	R57 W58 K90	E53-R57 WeakPolarHBondContact CA-O 3.33Å; E53-W58 HydrophobicContact CB-CE3 4.16Å; E53-W58 HydrophobicContact CB-CH2 4.24Å; E53-W58 HydrophobicContact CB-CZ3 4.01Å; E53-K90 HydrophobicContact CB-CB 4.01Å; E53-K90 PolarHBondContact N-O 3.12Å; E53-K90 IonicContact OE1-NZ 2.78Å; E53-K90 PolarHBondContact OE1-NZ 2.92Å; E53-K90 VanDerWaalsContact OE2-CD 3.23Å; E53-K90 WeakPolarHBondContact OE2-CD 3.09Å; E53-K90 VanDerWaalsContact OE2-CE 3.3Å; E53-K90 WeakPolarHBondContact OE2-CE 3.43Å; E53-K90 IonicContact OE2-NZ 3.34Å; E53-K90 PolarHBondContact OE2-NZ 2.94Å
54	N	87	Confident	95	Very high	88 Å²	88	54.2 Å²	54.2	47%	0.471	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.9	170	-173.6	-6.2	0	0	0	108.9	G56 R57 I59	N54-G56 VanDerWaalsContact C-N 3.29Å; N54-G56 PolarHBondContact O-N 3.31Å; N54-R57 PolarHBondContact N-O 3.34Å; N54-R57 WeakPolarHBondContact O-CB 3.49Å; N54-R57 PolarHBondContact O-N 2.9Å; N54-I59 HydrophobicContact CB-CD1 3.75Å
55	N	82.8	Confident	95.2	Very high	163 Å²	163	57.4 Å²	57.4	87%	0.872	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	45.4	-178.5	-64.5	-35.4	0	0	0	113.5	R57	N55-R57 PolarHBondContact O-N 3.08Å
56	G	85.6	Confident	95.3	Very high	59 Å²	59	57.7 Å²	57.7	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	6.5	179.8	0	0	0	0	0	115	N54	N54-G56 VanDerWaalsContact C-N 3.29Å; N54-G56 PolarHBondContact O-N 3.31Å
57	R	92.5	Very high	95.2	Very high	198 Å²	198	58.5 Å²	58.5	75%	0.747	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.8	178.9	-143.2	177.4	-173.1	-178.2	1.8	110.5	E53 N54 N55	E53-R57 WeakPolarHBondContact CA-O 3.33Å; N54-R57 PolarHBondContact N-O 3.34Å; N54-R57 WeakPolarHBondContact O-CB 3.49Å; N54-R57 PolarHBondContact O-N 2.9Å; N55-R57 PolarHBondContact O-N 3.08Å
58	W	95.6	Very high	95	Very high	84 Å²	84	64.4 Å²	64.4	32%	0.318	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.9	174.2	-66.1	99.6	0	0	0	110.1	F51 T52 E53 K90 K92	F51-W58 HydrophobicContact CB-CB 4.35Å; F51-W58 HydrophobicContact CB-CE3 3.8Å; F51-W58 HydrophobicContact CD1-CB 4.37Å; T52-W58 WeakPolarHBondContact O-CA 3.43Å; E53-W58 HydrophobicContact CB-CE3 4.16Å; E53-W58 HydrophobicContact CB-CH2 4.24Å; E53-W58 HydrophobicContact CB-CZ3 4.01Å; W58-K90 HydrophobicContact CH2-CB 3.97Å; W58-K90 HydrophobicContact CZ3-CB 4.45Å; W58-K92 VanDerWaalsContact CD1-NZ 3.34Å; W58-K92 HydrophobicContact CD2-CB 4.36Å; W58-K92 HydrophobicContact CD2-CD 4.38Å; W58-K92 VanDerWaalsContact CE2-CE 3.5Å; W58-K92 HydrophobicContact CE3-CB 3.81Å; W58-K92 HydrophobicContact CH2-CB 3.84Å; W58-K92 HydrophobicContact CZ2-CB 4.41Å; W58-K92 HydrophobicContact CZ3-CB 3.52Å; W58-K92 VanDerWaalsContact NE1-NZ 3.2Å
59	I	96.2	Very high	94.6	Very high	82 Å²	82	67.9 Å²	67.9	42%	0.421	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.4	178.7	-56.6	178.1	0	0	0	107.5	F51 T52 N54 Y61	F51-I59 CarbonylContact C-O 3.6Å; F51-I59 WeakPolarHBondContact CA-O 3.13Å; T52-I59 PolarHBondContact N-O 3.02Å; T52-I59 PolarHBondContact O-N 2.86Å; N54-I59 HydrophobicContact CB-CD1 3.75Å; I59-Y61 PolarHBondContact O-N 3.46Å
60	E	96.9	Very high	94.4	Very high	71 Å²	71	70.6 Å²	70.6	33%	0.332	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	122	173.1	-179.5	173.3	155.4	0	0	108.9	V49 F51 R63	V49-E60 HydrophobicContact CG1-CB 4.49Å; V49-E60 HydrophobicContact CG1-CG 3.61Å; F51-E60 HydrophobicContact CD1-CB 4.1Å; F51-E60 HydrophobicContact CE1-CB 3.86Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NE 3.01Å; E60-R63 PolarHBondContact OE1-NE 2.92Å; E60-R63 IonicContact OE1-NH2 3.42Å; E60-R63 PolarHBondContact OE1-NH2 3.28Å; E60-R63 IonicContact OE2-CZ 2.7Å; E60-R63 IonicContact OE2-NH2 3.34Å; E60-R63 PolarHBondContact OE2-NH2 2.7Å
61	Y	97.3	Very high	94.1	Very high	101 Å²	101	72 Å²	72	40%	0.396	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-54.3	179	-175	-96.8	0	0	0	110.5	L50 T52 I59 V80 L81	L50-Y61 HydrophobicContact CD2-CD1 3.9Å; L50-Y61 HydrophobicContact CD2-CG 4.39Å; L50-Y61 WeakPolarHBondContact O-CB 3.29Å; L50-Y61 PolarHBondContact O-N 3.28Å; T52-Y61 HydrophobicContact CG2-CD2 3.82Å; T52-Y61 HydrophobicContact CG2-CG 4.11Å; I59-Y61 PolarHBondContact O-N 3.46Å; Y61-V80 WeakPolarHBondContact CE1-O 3.48Å; Y61-V80 PolarHBondContact OH-O 2.54Å; Y61-L81 HydrophobicContact CD1-CD2 4.15Å; Y61-L81 HydrophobicContact CD2-CD2 4.22Å; Y61-L81 HydrophobicContact CE1-CD2 3.77Å; Y61-L81 HydrophobicContact CE1-CG 4.37Å; Y61-L81 HydrophobicContact CE2-CD2 3.87Å; Y61-L81 HydrophobicContact CG-CD2 4.35Å
62	D	97.7	Very high	94.1	Very high	53 Å²	53	74.3 Å²	74.3	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	172.9	178.2	-158.4	-5.8	0	0	0	109.4	L50 K77 F79	L50-D62 PolarHBondContact N-O 3.13Å; D62-K77 WeakPolarHBondContact OD2-CE 3.22Å; D62-K77 IonicContact OD2-NZ 3.73Å; D62-K77 PolarHBondContact OD2-NZ 3.07Å; D62-F79 HydrophobicContact CB-CD1 3.89Å; D62-F79 HydrophobicContact CB-CE1 3.9Å
63	R	97.6	Very high	94.1	Very high	59 Å²	59	72.7 Å²	72.7	22%	0.223	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.2	175.9	63.5	-178.9	68.9	-172.5	2.6	112.5	C48 V49 E60 M103	C48-R63 CarbonylContact O-C 3.57Å; C48-R63 VanDerWaalsContact O-CA 3.26Å; C48-R63 WeakPolarHBondContact O-CA 3.19Å; V49-R63 HydrophobicContact CG2-CB 4.14Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NE 3.01Å; E60-R63 PolarHBondContact OE1-NE 2.92Å; E60-R63 IonicContact OE1-NH2 3.42Å; E60-R63 PolarHBondContact OE1-NH2 3.28Å; E60-R63 IonicContact OE2-CZ 2.7Å; E60-R63 IonicContact OE2-NH2 3.34Å; E60-R63 PolarHBondContact OE2-NH2 2.7Å; R63-M103 PolarHBondContact NH1-O 2.83Å; R63-M103 PolarHBondContact NH2-O 2.85Å; R63-M103 VanDerWaalsContact NH2-O 3.15Å
64	T	98.3	Very high	94.2	Very high	10 Å²	10	73.5 Å²	73.5	6%	0.061	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-77.5	171.7	174.1	67.2	0	0	0	0	111.5	C48 F75 K77 F79	C48-T64 HydrophobicContact CB-CG2 3.92Å; C48-T64 PolarHBondContact N-OG1 3.11Å; C48-T64 PolarHBondContact O-N 3.19Å; T64-F75 HydrophobicContact CG2-CB 3.77Å; T64-F75 HydrophobicContact CG2-CD1 4.2Å; T64-F75 HydrophobicContact CG2-CD2 4.13Å; T64-F75 HydrophobicContact CG2-CG 3.78Å; T64-F75 VanDerWaalsContact OG1-CD1 3.31Å; T64-F75 WeakPolarHBondContact OG1-CD1 3.44Å; T64-F75 WeakPolarHBondContact OG1-CE1 3.3Å; T64-K77 HydrophobicContact CG2-CB 4.42Å; T64-F79 HydrophobicContact CG2-CE1 4.43Å; T64-F79 HydrophobicContact CG2-CE2 4.05Å; T64-F79 HydrophobicContact CG2-CZ 3.63Å
65	E	96.4	Very high	94.7	Very high	68 Å²	68	69.6 Å²	69.6	32%	0.318	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.1	165.1	157.9	78.7	-75.7	-167.3	0	0	111.9	F75 S76 K77	E65-F75 WeakPolarHBondContact O-CD1 3.12Å; E65-F75 WeakPolarHBondContact O-CE1 3.46Å; E65-F75 WeakPolarHBondContact OE1-CA 3.48Å; E65-S76 WeakPolarHBondContact OE1-CB 3.44Å; E65-S76 PolarHBondContact OE1-N 2.88Å; E65-S76 PolarHBondContact OE1-OG 3.36Å; E65-S76 PolarHBondContact OE2-OG 3.32Å; E65-K77 WeakPolarHBondContact OE2-CB 3.42Å; E65-K77 PolarHBondContact OE2-N 3.4Å; E65-K77 VanDerWaalsContact OE2-N 3.09Å
66	T	96.8	Very high	95.3	Very high	41 Å²	41	66 Å²	66	25%	0.252	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-90.3	127.9	175.8	-53.1	0	0	0	0	110.8	D45 Q98	D45-T66 HydrophobicContact CB-CG2 3.84Å; D45-T66 VanDerWaalsContact O-CG2 3.22Å; D45-T66 WeakPolarHBondContact O-CG2 3.44Å; T66-Q98 VanDerWaalsContact CB-OE1 3.22Å; T66-Q98 HydrophobicContact CG2-CB 3.77Å; T66-Q98 VanDerWaalsContact CG2-OE1 3.27Å; T66-Q98 PolarHBondContact OG1-OE1 2.86Å
67	A	94.9	Very high	95.9	Very high	17 Å²	17	67.3 Å²	67.3	14%	0.14	34%	0.339	C	S	.	.			trans	-92.9	104.7	176.3	0	0	0	0	0	110.1	D45 P46 N69 N70 P73 F75	D45-A67 CarbonylContact C-O 3.57Å; D45-A67 WeakPolarHBondContact CA-O 3.48Å; P46-A67 WeakPolarHBondContact CD-O 3.41Å; P46-A67 HydrophobicContact CG-CB 4.31Å; P46-A67 PolarHBondContact O-N 3.41Å; A67-N69 PolarHBondContact O-N 2.99Å; A67-N70 HydrophobicContact CB-CB 4.27Å; A67-P73 HydrophobicContact CB-CB 3.51Å; A67-F75 HydrophobicContact CB-CE1 4.08Å
68	I	93.2	Very high	96.1	Very high	129 Å²	129	61 Å²	61	66%	0.662	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	128.1	-173.8	-57.4	170.5	0	0	0	111.1	D45 N70	D45-I68 VanDerWaalsContact OD1-CA 3.28Å; D45-I68 WeakPolarHBondContact OD1-CA 3.49Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 2.66Å
69	N	91	Very high	96.2	Very high	73 Å²	73	57 Å²	57	39%	0.39	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	45.8	172.1	-80.8	-105.2	0	0	0	113.1	S42 K43 D45 A67	S42-N69 WeakPolarHBondContact CB-OD1 3.23Å; K43-N69 HydrophobicContact CB-CB 4.37Å; K43-N69 WeakPolarHBondContact CD-O 3.21Å; K43-N69 PolarHBondContact N-OD1 3.24Å; K43-N69 WeakPolarHBondContact O-CA 3.48Å; K43-N69 PolarHBondContact O-OD1 2.54Å; D45-N69 PolarHBondContact OD1-N 2.99Å; D45-N69 PolarHBondContact OD1-ND2 2.8Å; D45-N69 VanDerWaalsContact OD1-ND2 3.15Å; A67-N69 PolarHBondContact O-N 2.99Å
70	N	93.1	Very high	96.3	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	30%	0.296	S	S	.	.			trans	-139.7	103.9	-168.1	-170.2	-0.5	0	0	0	113.5	S44 P46 A67 I68 N72 P73	S44-N70 PolarHBondContact O-N 3.1Å; P46-N70 WeakPolarHBondContact CD-O 3.41Å; P46-N70 WeakPolarHBondContact CG-O 3.29Å; A67-N70 HydrophobicContact CB-CB 4.27Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 2.66Å; N70-N72 PolarHBondContact O-N 2.81Å; N70-N72 WeakPolarHBondContact OD1-CA 3.28Å; N70-N72 PolarHBondContact OD1-N 3.03Å; N70-N72 PolarHBondContact OD1-O 2.81Å; N70-P73 WeakPolarHBondContact O-CD 3.37Å
71	L	94.4	Very high	96.2	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.152	28%	0.283	C	S	.	.	S	Bend	trans	-77.2	-0.6	174.2	-54.1	-179	0	0	0	114.4	Q33 N34 L35 D37 K43 P73	Q33-L71 CarbonylContact C-O 3.53Å; N34-L71 PolarHBondContact N-O 3.16Å; N34-L71 VanDerWaalsContact N-O 3.08Å; L35-L71 WeakPolarHBondContact CG-O 3.16Å; L35-L71 PolarHBondContact N-O 3.2Å; D37-L71 HydrophobicContact CB-CD1 4.07Å; D37-L71 HydrophobicContact CB-CD2 4.23Å; K43-L71 HydrophobicContact CB-CD2 4.25Å; K43-L71 HydrophobicContact CB-CG 4.18Å; K43-L71 HydrophobicContact CD-CG 4.25Å; K43-L71 HydrophobicContact CG-CD1 4.38Å; K43-L71 HydrophobicContact CG-CG 4.21Å; L71-P73 VanDerWaalsContact C-CD 3.46Å
72	N	97.3	Very high	96	Very high	81 Å²	81	51 Å²	51	43%	0.433	28%	0.281	S	S	.	.	S	Bend	trans	-132.4	57.2	178.2	-54.6	-83.9	0	0	0	110.8	G32 Q33 N34 N70	G32-N72 CarbonylContact O-C 3.58Å; G32-N72 VanDerWaalsContact O-C 3.29Å; G32-N72 VanDerWaalsContact O-CA 3.23Å; G32-N72 WeakPolarHBondContact O-CA 3.41Å; Q33-N72 WeakPolarHBondContact CA-OD1 3.5Å; N34-N72 PolarHBondContact N-OD1 3.16Å; N70-N72 PolarHBondContact O-N 2.81Å; N70-N72 WeakPolarHBondContact OD1-CA 3.28Å; N70-N72 PolarHBondContact OD1-N 3.03Å; N70-N72 PolarHBondContact OD1-O 2.81Å
73	P	97.4	Very high	95.8	Very high	1 Å²	1	49 Å²	49	1%	0.006	27%	0.27	C	S	.	.			trans	-70.4	140.7	-172.7	32.7	-37.8	0	0	0	111.4	S31 G32 L35 P46 A67 N70 L71 F75	S31-P73 CarbonylContact C-O 3.18Å; S31-P73 WeakPolarHBondContact CA-O 3.48Å; S31-P73 WeakPolarHBondContact CB-O 3.29Å; G32-P73 PolarHBondContact N-O 2.92Å; L35-P73 HydrophobicContact CD1-CG 3.71Å; P46-P73 HydrophobicContact CB-CG 4.27Å; P46-P73 HydrophobicContact CG-CB 4.02Å; P46-P73 HydrophobicContact CG-CG 3.68Å; A67-P73 HydrophobicContact CB-CB 3.51Å; N70-P73 WeakPolarHBondContact O-CD 3.37Å; L71-P73 VanDerWaalsContact C-CD 3.46Å; P73-F75 HydrophobicContact CB-CD1 4.47Å; P73-F75 HydrophobicContact CB-CE1 3.85Å; P73-F75 HydrophobicContact CB-CE2 4.09Å; P73-F75 HydrophobicContact CB-CZ 3.63Å; P73-F75 HydrophobicContact CG-CE1 4.29Å; P73-F75 HydrophobicContact CG-CE2 3.86Å; P73-F75 HydrophobicContact CG-CZ 3.56Å
74	A	96.5	Very high	95.6	Very high	81 Å²	81	48.2 Å²	48.2	67%	0.669	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-115.3	113.4	162.7	0	0	0	0	0	107.5
75	F	97.9	Very high	95.3	Very high	5 Å²	5	48 Å²	48	2%	0.022	27%	0.267	C	S	.	.			trans	-83.9	132.8	-173.8	-57.2	-72.4	0	0	0	111.1	V30 P46 C48 T64 E65 A67 P73 K78	V30-F75 HydrophobicContact CB-CD2 4.3Å; V30-F75 HydrophobicContact CG1-CD2 4.28Å; V30-F75 WeakPolarHBondContact O-CD2 3.49Å; V30-F75 PolarHBondContact O-N 3.3Å; V30-F75 VanDerWaalsContact O-N 3.15Å; P46-F75 WeakPolarHBondContact O-CE1 3.37Å; C48-F75 HydrophobicContact CB-CD2 4.3Å; C48-F75 HydrophobicContact CB-CE2 3.88Å; C48-F75 HydrophobicContact CB-CZ 4.28Å; T64-F75 HydrophobicContact CG2-CB 3.77Å; T64-F75 HydrophobicContact CG2-CD1 4.2Å; T64-F75 HydrophobicContact CG2-CD2 4.13Å; T64-F75 HydrophobicContact CG2-CG 3.78Å; T64-F75 VanDerWaalsContact OG1-CD1 3.31Å; T64-F75 WeakPolarHBondContact OG1-CD1 3.44Å; T64-F75 WeakPolarHBondContact OG1-CE1 3.3Å; E65-F75 WeakPolarHBondContact O-CD1 3.12Å; E65-F75 WeakPolarHBondContact O-CE1 3.46Å; E65-F75 WeakPolarHBondContact OE1-CA 3.48Å; A67-F75 HydrophobicContact CB-CE1 4.08Å; P73-F75 HydrophobicContact CB-CD1 4.47Å; P73-F75 HydrophobicContact CB-CE1 3.85Å; P73-F75 HydrophobicContact CB-CE2 4.09Å; P73-F75 HydrophobicContact CB-CZ 3.63Å; P73-F75 HydrophobicContact CG-CE1 4.29Å; P73-F75 HydrophobicContact CG-CE2 3.86Å; P73-F75 HydrophobicContact CG-CZ 3.56Å; F75-K78 PolarHBondContact O-NZ 3.29Å
76	S	95.8	Very high	95	Very high	89 Å²	89	45.8 Å²	45.8	62%	0.622	26%	0.256	S	S	*	.	S	Bend	trans	-73.9	-41	174.9	63.3	0	0	0	0	111.3	E65 K78	E65-S76 WeakPolarHBondContact OE1-CB 3.44Å; E65-S76 PolarHBondContact OE1-N 2.88Å; E65-S76 PolarHBondContact OE1-OG 3.36Å; E65-S76 PolarHBondContact OE2-OG 3.32Å; S76-K78 WeakPolarHBondContact O-CE 3.32Å; S76-K78 PolarHBondContact O-N 2.75Å
77	K	97.1	Very high	94.7	Very high	85 Å²	85	46.8 Å²	46.8	37%	0.37	26%	0.258	S	S	.	.			trans	-61	132.7	174.1	177.1	68.9	178.5	-169.1	0	110.2	D62 T64 E65	D62-K77 WeakPolarHBondContact OD2-CE 3.22Å; D62-K77 IonicContact OD2-NZ 3.73Å; D62-K77 PolarHBondContact OD2-NZ 3.07Å; T64-K77 HydrophobicContact CG2-CB 4.42Å; E65-K77 WeakPolarHBondContact OE2-CB 3.42Å; E65-K77 PolarHBondContact OE2-N 3.4Å; E65-K77 VanDerWaalsContact OE2-N 3.09Å
78	K	97.4	Very high	94.5	Very high	65 Å²	65	48.5 Å²	48.5	28%	0.283	27%	0.267	S	S	.	.			trans	-108.9	148.2	175.4	-49.1	-59	-179.9	-169.8	0	110.2	E27 L28 S29 F75 S76	E27-K78 HydrophobicContact CG-CB 3.45Å; E27-K78 VanDerWaalsContact CG-CB 3.45Å; E27-K78 HydrophobicContact CG-CG 3.93Å; L28-K78 WeakPolarHBondContact O-CA 3.32Å; S29-K78 VanDerWaalsContact OG-CD 3.25Å; S29-K78 WeakPolarHBondContact OG-CD 3.32Å; S29-K78 WeakPolarHBondContact OG-CE 3.39Å; S29-K78 PolarHBondContact OG-NZ 2.77Å; F75-K78 PolarHBondContact O-NZ 3.29Å; S76-K78 WeakPolarHBondContact O-CE 3.32Å; S76-K78 PolarHBondContact O-N 2.75Å
79	F	98.1	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.6	172	-57	-63.2	0	0	0	109.1	E27 L28 V30 L50 D62 T64 F93	E27-F79 CarbonylContact C-O 3.59Å; E27-F79 WeakPolarHBondContact CA-O 3.26Å; L28-F79 HydrophobicContact CB-CB 4.29Å; L28-F79 PolarHBondContact N-O 2.88Å; L28-F79 PolarHBondContact O-N 2.96Å; V30-F79 HydrophobicContact CG2-CD2 3.95Å; V30-F79 HydrophobicContact CG2-CE2 3.8Å; L50-F79 HydrophobicContact CB-CD1 4.04Å; L50-F79 HydrophobicContact CB-CD2 4.16Å; L50-F79 HydrophobicContact CB-CE1 3.87Å; L50-F79 HydrophobicContact CB-CE2 4Å; L50-F79 HydrophobicContact CB-CG 4.16Å; L50-F79 HydrophobicContact CB-CZ 3.83Å; L50-F79 HydrophobicContact CD2-CB 3.65Å; L50-F79 HydrophobicContact CD2-CD1 4.03Å; L50-F79 HydrophobicContact CD2-CD2 4.01Å; L50-F79 HydrophobicContact CD2-CG 3.63Å; D62-F79 HydrophobicContact CB-CD1 3.89Å; D62-F79 HydrophobicContact CB-CE1 3.9Å; T64-F79 HydrophobicContact CG2-CE1 4.43Å; T64-F79 HydrophobicContact CG2-CE2 4.05Å; T64-F79 HydrophobicContact CG2-CZ 3.63Å; F79-F93 HydrophobicContact CD2-CE1 4.38Å
80	V	96.8	Very high	94.9	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.1	177.1	179.9	0	0	0	0	108.6	K25 V26 E27 Y61 L151	K25-V80 HydrophobicContact CB-CG1 4.19Å; K25-V80 HydrophobicContact CD-CG1 4.1Å; K25-V80 HydrophobicContact CG-CG1 4.43Å; V26-V80 WeakPolarHBondContact O-CA 2.83Å; E27-V80 HydrophobicContact CG-CG2 4.44Å; Y61-V80 WeakPolarHBondContact CE1-O 3.48Å; Y61-V80 PolarHBondContact OH-O 2.54Å; V80-L151 HydrophobicContact CB-CD1 4.39Å; V80-L151 HydrophobicContact CG1-CD1 3.7Å; V80-L151 HydrophobicContact CG2-CD1 3.78Å
81	L	95.3	Very high	95.1	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.7	-177.3	-67.3	155.7	0	0	0	110.1	K25 V26 L28 L50 T52 Y61 L91 L118	K25-L81 CarbonylContact C-O 3.6Å; K25-L81 WeakPolarHBondContact CA-O 3.46Å; V26-L81 PolarHBondContact N-O 2.78Å; V26-L81 PolarHBondContact O-N 3.11Å; L28-L81 HydrophobicContact CD1-CD1 3.54Å; L28-L81 HydrophobicContact CG-CD1 4.17Å; L50-L81 HydrophobicContact CD2-CD1 4.16Å; L50-L81 HydrophobicContact CD2-CD2 4.33Å; T52-L81 HydrophobicContact CG2-CD2 4.2Å; Y61-L81 HydrophobicContact CD1-CD2 4.15Å; Y61-L81 HydrophobicContact CD2-CD2 4.22Å; Y61-L81 HydrophobicContact CE1-CD2 3.77Å; Y61-L81 HydrophobicContact CE1-CG 4.37Å; Y61-L81 HydrophobicContact CE2-CD2 3.87Å; Y61-L81 HydrophobicContact CG-CD2 4.35Å; L81-L91 HydrophobicContact CD1-CD1 3.86Å; L81-L91 HydrophobicContact CD1-CD2 4.14Å; L81-L91 HydrophobicContact CD2-CD2 4.48Å; L81-L118 HydrophobicContact CB-CD2 4.26Å; L81-L118 HydrophobicContact CD1-CD1 4.24Å; L81-L118 HydrophobicContact CD1-CD2 4.41Å
82	D	93.9	Very high	95.3	Very high	68 Å²	68	42.5 Å²	42.5	36%	0.364	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.6	164.3	-73.2	-21.7	0	0	0	109	V23 K25 Q89	V23-D82 HydrophobicContact CG1-CB 3.45Å; V23-D82 VanDerWaalsContact CG1-CB 3.45Å; K25-D82 IonicContact NZ-OD1 2.8Å; K25-D82 PolarHBondContact NZ-OD1 2.74Å; K25-D82 IonicContact NZ-OD2 2.72Å; D82-Q89 PolarHBondContact O-NE2 2.78Å
83	Y	93	Very high	95.3	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	-179.6	171.2	-103.7	0	0	0	111	C24 V26 F85 L118 V122 F296 L297 Y352	C24-Y83 HydrophobicContact CB-CD1 4.39Å; C24-Y83 WeakPolarHBondContact O-CB 3.17Å; C24-Y83 PolarHBondContact O-N 3.2Å; V26-Y83 HydrophobicContact CG2-CG 4.24Å; Y83-F85 HydrophobicContact CE1-CB 4.12Å; Y83-L118 HydrophobicContact CD2-CD2 3.92Å; Y83-L118 HydrophobicContact CD2-CG 4.14Å; Y83-V122 HydrophobicContact CE2-CG2 4.03Å; Y83-F296 HydrophobicContact CE1-CD1 4.49Å; Y83-F296 HydrophobicContact CE1-CE1 4.49Å; Y83-L297 HydrophobicContact CD1-CD1 4.36Å; Y83-L297 HydrophobicContact CD1-CD2 4.25Å; Y83-L297 HydrophobicContact CE1-CD1 3.98Å; Y83-Y352 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y352 VanDerWaalsContact OH-CE1 3.29Å; Y83-Y352 WeakPolarHBondContact OH-CE1 3.3Å; Y83-Y352 VanDerWaalsContact OH-CZ 3.26Å; Y83-Y352 PolarHBondContact OH-OH 2.96Å
84	H	92.4	Very high	95.4	Very high	42 Å²	42	38.7 Å²	38.7	19%	0.194	21%	0.21	C	C	.	.			trans	-124.3	106.4	179.2	-62.8	-83.2	0	0	0	107.7	V23 E86 E87 Q89	V23-H84 VanDerWaalsContact CG2-CE1 3.48Å; V23-H84 WeakPolarHBondContact CG2-CE1 3.25Å; H84-E86 IonicContact ND1-OE1 3.46Å; H84-E86 PolarHBondContact O-N 3.36Å; H84-E87 HydrophobicContact CB-CB 4.05Å; H84-E87 HydrophobicContact CB-CG 3.93Å; H84-E87 PolarHBondContact O-N 2.81Å; H84-Q89 PolarHBondContact O-OE1 2.81Å
85	F	92.2	Very high	95.5	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.031	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.5	-178.5	167.2	-109.6	0	0	0	111.4	Y83 E87 F296 L306 I348 I349 Y352 L524 L527 P528	Y83-F85 HydrophobicContact CE1-CB 4.12Å; F85-E87 PolarHBondContact O-N 2.98Å; F85-F296 HydrophobicContact CB-CE1 4.21Å; F85-F296 AromaticContact CD2-CE1 3.44Å; F85-F296 HydrophobicContact CD2-CE1 3.44Å; F85-F296 VanDerWaalsContact CD2-CE1 3.44Å; F85-F296 AromaticContact CD2-CZ 3.57Å; F85-F296 HydrophobicContact CD2-CZ 3.57Å; F85-F296 AromaticContact CE2-CE1 3.96Å; F85-F296 HydrophobicContact CE2-CE1 3.96Å; F85-F296 AromaticContact CE2-CZ 3.57Å; F85-F296 HydrophobicContact CE2-CZ 3.57Å; F85-F296 AromaticContact CG-CE1 3.89Å; F85-F296 HydrophobicContact CG-CE1 3.89Å; F85-F296 HydrophobicContact CG-CZ 4.22Å; F85-F296 HydrophobicContact CZ-CZ 4.2Å; F85-L306 HydrophobicContact CE2-CD1 3.86Å; F85-L306 HydrophobicContact CZ-CD1 4.05Å; F85-I348 WeakPolarHBondContact O-CG2 3.27Å; F85-I349 HydrophobicContact CE1-CD1 4.42Å; F85-I349 HydrophobicContact CE2-CD1 4.24Å; F85-I349 HydrophobicContact CZ-CD1 3.55Å; F85-Y352 HydrophobicContact CD2-CE1 4.36Å; F85-Y352 AromaticContact CD2-CE2 3.84Å; F85-Y352 HydrophobicContact CD2-CE2 3.84Å; F85-Y352 AromaticContact CD2-CZ 3.73Å; F85-Y352 AromaticContact CE2-CD2 3.96Å; F85-Y352 HydrophobicContact CE2-CD2 3.96Å; F85-Y352 AromaticContact CE2-CE2 3.63Å; F85-Y352 HydrophobicContact CE2-CE2 3.63Å; F85-Y352 AromaticContact CE2-CZ 3.95Å; F85-L524 HydrophobicContact CD1-CB 4.32Å; F85-L524 HydrophobicContact CE1-CB 3.95Å; F85-L524 HydrophobicContact CE1-CD1 4.42Å; F85-L524 HydrophobicContact CE1-CD2 4.26Å; F85-L524 HydrophobicContact CE1-CG 4.46Å; F85-L527 HydrophobicContact CE1-CB 4.18Å; F85-L527 HydrophobicContact CE1-CD2 3.8Å; F85-L527 HydrophobicContact CE1-CG 4.23Å; F85-L527 HydrophobicContact CZ-CD2 3.61Å; F85-L527 HydrophobicContact CZ-CG 4.29Å; F85-P528 HydrophobicContact CB-CG 4.19Å; F85-P528 HydrophobicContact CD1-CG 3.41Å; F85-P528 VanDerWaalsContact CD1-CG 3.41Å; F85-P528 HydrophobicContact CE1-CG 3.95Å; F85-P528 HydrophobicContact CG-CG 3.89Å
86	E	90.5	Very high	95.4	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.093	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	9.7	-176.4	73.6	-76.3	-174.7	0	0	114.8	H84 I348 K521 L524	H84-E86 IonicContact ND1-OE1 3.46Å; H84-E86 PolarHBondContact O-N 3.36Å; E86-I348 WeakPolarHBondContact O-CD1 3.39Å; E86-K521 HydrophobicContact CB-CG 4.35Å; E86-K521 HydrophobicContact CG-CB 4.05Å; E86-K521 HydrophobicContact CG-CD 4.01Å; E86-K521 HydrophobicContact CG-CG 3.57Å; E86-L524 HydrophobicContact CB-CB 4.24Å
87	E	90.3	Very high	95.4	Very high	62 Å²	62	31.3 Å²	31.3	29%	0.29	15%	0.151	S	C	.	.	S	Bend	trans	-130.3	142.7	-179.7	-62.8	-172.8	175.7	0	0	112.8	H84 F85 Q89 K521	H84-E87 HydrophobicContact CB-CB 4.05Å; H84-E87 HydrophobicContact CB-CG 3.93Å; H84-E87 PolarHBondContact O-N 2.81Å; F85-E87 PolarHBondContact O-N 2.98Å; E87-Q89 HydrophobicContact CB-CG 3.96Å; E87-Q89 PolarHBondContact O-N 3.49Å; E87-Q89 VanDerWaalsContact O-N 3.1Å; E87-K521 WeakPolarHBondContact OE1-CE 3.49Å; E87-K521 IonicContact OE1-NZ 3.54Å; E87-K521 PolarHBondContact OE1-NZ 3.28Å
88	V	92	Very high	95.2	Very high	53 Å²	53	30.2 Å²	30.2	32%	0.321	15%	0.147	S	C	.	.			trans	-82.6	84.8	166.2	-173.8	0	0	0	0	109.1	K90 Q347 I348	V88-K90 HydrophobicContact CG1-CG 4.16Å; V88-K90 PolarHBondContact O-N 3.14Å; V88-K90 VanDerWaalsContact O-N 3.09Å; V88-Q347 HydrophobicContact CG2-CB 4.25Å; V88-I348 HydrophobicContact CG2-CG1 3.59Å
89	Q	94	Very high	94.3	Very high	34 Å²	34	30.6 Å²	30.6	16%	0.159	15%	0.152	C	C	.	.			trans	-78	93.7	-179.9	-60.2	178.3	-94.1	0	0	110.9	D82 H84 E87 S117 L118	D82-Q89 PolarHBondContact O-NE2 2.78Å; H84-Q89 PolarHBondContact O-OE1 2.81Å; E87-Q89 HydrophobicContact CB-CG 3.96Å; E87-Q89 PolarHBondContact O-N 3.49Å; E87-Q89 VanDerWaalsContact O-N 3.1Å; Q89-S117 CarbonylContact O-C 3.58Å; Q89-S117 VanDerWaalsContact O-CA 3.32Å; Q89-S117 WeakPolarHBondContact O-CA 3.24Å; Q89-L118 HydrophobicContact CB-CB 4.01Å; Q89-L118 PolarHBondContact O-N 2.88Å
90	K	96.7	Very high	93.4	Very high	89 Å²	89	35.7 Å²	35.7	39%	0.387	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.5	-178.1	-57.4	-168.7	-158.3	139.9	0	112.3	E53 W58 V88	E53-K90 HydrophobicContact CB-CB 4.01Å; E53-K90 PolarHBondContact N-O 3.12Å; E53-K90 IonicContact OE1-NZ 2.78Å; E53-K90 PolarHBondContact OE1-NZ 2.92Å; E53-K90 VanDerWaalsContact OE2-CD 3.23Å; E53-K90 WeakPolarHBondContact OE2-CD 3.09Å; E53-K90 VanDerWaalsContact OE2-CE 3.3Å; E53-K90 WeakPolarHBondContact OE2-CE 3.43Å; E53-K90 IonicContact OE2-NZ 3.34Å; E53-K90 PolarHBondContact OE2-NZ 2.94Å; W58-K90 HydrophobicContact CH2-CB 3.97Å; W58-K90 HydrophobicContact CZ3-CB 4.45Å; V88-K90 HydrophobicContact CG1-CG 4.16Å; V88-K90 PolarHBondContact O-N 3.14Å; V88-K90 VanDerWaalsContact O-N 3.09Å
91	L	98.1	Very high	92.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.7	180	-56.2	-177.8	0	0	0	110.4	L28 L50 F51 T52 L81 F93 S115 C116 L118 I121	L28-L91 HydrophobicContact CD1-CD1 3.88Å; L50-L91 HydrophobicContact CD1-CB 4.07Å; L50-L91 HydrophobicContact CD1-CD2 4.28Å; F51-L91 WeakPolarHBondContact O-CA 3.29Å; T52-L91 HydrophobicContact CG2-CD2 3.87Å; L81-L91 HydrophobicContact CD1-CD1 3.86Å; L81-L91 HydrophobicContact CD1-CD2 4.14Å; L81-L91 HydrophobicContact CD2-CD2 4.48Å; L91-F93 HydrophobicContact CB-CE2 3.84Å; L91-F93 HydrophobicContact CB-CZ 4.34Å; L91-F93 HydrophobicContact CD1-CE2 4.31Å; L91-F93 HydrophobicContact CD1-CZ 4.13Å; L91-S115 VanDerWaalsContact O-CA 3.26Å; L91-S115 WeakPolarHBondContact O-CA 3.44Å; L91-C116 WeakPolarHBondContact CA-O 3.23Å; L91-C116 PolarHBondContact N-O 3.18Å; L91-C116 PolarHBondContact O-N 2.98Å; L91-L118 HydrophobicContact CD1-CB 3.99Å; L91-L118 HydrophobicContact CD1-CD1 4.06Å; L91-L118 HydrophobicContact CG-CB 4.44Å; L91-I121 HydrophobicContact CD1-CD1 3.78Å
92	K	98.3	Very high	92.2	Very high	35 Å²	35	40 Å²	40	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.6	170.1	171.5	-173.2	-60.2	178.5	0	109.8	L50 F51 W58 F114 S115	L50-K92 CarbonylContact C-O 3.58Å; F51-K92 HydrophobicContact CB-CB 4.19Å; F51-K92 HydrophobicContact CD2-CD 4.42Å; F51-K92 HydrophobicContact CD2-CG 4.43Å; F51-K92 PolarHBondContact N-O 2.92Å; F51-K92 PolarHBondContact O-N 3.38Å; W58-K92 VanDerWaalsContact CD1-NZ 3.34Å; W58-K92 HydrophobicContact CD2-CB 4.36Å; W58-K92 HydrophobicContact CD2-CD 4.38Å; W58-K92 VanDerWaalsContact CE2-CE 3.5Å; W58-K92 HydrophobicContact CE3-CB 3.81Å; W58-K92 HydrophobicContact CH2-CB 3.84Å; W58-K92 HydrophobicContact CZ2-CB 4.41Å; W58-K92 HydrophobicContact CZ3-CB 3.52Å; W58-K92 VanDerWaalsContact NE1-NZ 3.2Å; K92-F114 WeakPolarHBondContact CA-O 3.19Å; K92-S115 WeakPolarHBondContact CB-OG 3.48Å; K92-S115 WeakPolarHBondContact CG-OG 3.47Å
93	F	98.6	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.7	175.1	-58	-97.6	0	0	0	107.4	L28 V30 V49 L50 F79 L91 Q113 F114 I121 I144 I146	L28-F93 HydrophobicContact CD1-CE1 4.38Å; L28-F93 HydrophobicContact CD1-CZ 3.91Å; V30-F93 HydrophobicContact CG2-CD1 4.01Å; V30-F93 HydrophobicContact CG2-CE1 3.88Å; V49-F93 WeakPolarHBondContact O-CA 3.4Å; L50-F93 HydrophobicContact CD1-CD1 3.98Å; L50-F93 HydrophobicContact CD1-CD2 4.45Å; L50-F93 HydrophobicContact CD1-CE1 3.67Å; L50-F93 HydrophobicContact CD1-CE2 4.14Å; L50-F93 HydrophobicContact CD1-CG 4.36Å; L50-F93 HydrophobicContact CD1-CZ 3.74Å; F79-F93 HydrophobicContact CD2-CE1 4.38Å; L91-F93 HydrophobicContact CB-CE2 3.84Å; L91-F93 HydrophobicContact CB-CZ 4.34Å; L91-F93 HydrophobicContact CD1-CE2 4.31Å; L91-F93 HydrophobicContact CD1-CZ 4.13Å; F93-Q113 CarbonylContact O-C 3.57Å; F93-Q113 WeakPolarHBondContact O-CA 3.26Å; F93-Q113 WeakPolarHBondContact O-CB 3.43Å; F93-F114 HydrophobicContact CD2-CD1 4.3Å; F93-F114 PolarHBondContact N-O 3.48Å; F93-F114 PolarHBondContact O-N 2.86Å; F93-I121 HydrophobicContact CE2-CD1 4.02Å; F93-I121 HydrophobicContact CZ-CD1 3.97Å; F93-I144 HydrophobicContact CB-CD1 3.43Å; F93-I144 VanDerWaalsContact CB-CD1 3.43Å; F93-I144 HydrophobicContact CD1-CD1 4.29Å; F93-I144 HydrophobicContact CG-CD1 3.92Å; F93-I146 HydrophobicContact CD1-CD1 4.18Å; F93-I146 HydrophobicContact CD1-CG1 4.37Å; F93-I146 HydrophobicContact CD2-CD1 3.56Å; F93-I146 HydrophobicContact CE1-CD1 4.08Å; F93-I146 HydrophobicContact CE1-CG1 4.18Å; F93-I146 HydrophobicContact CE1-CG2 4.4Å; F93-I146 HydrophobicContact CE2-CD1 3.47Å; F93-I146 VanDerWaalsContact CE2-CD1 3.47Å; F93-I146 HydrophobicContact CE2-CG1 4.41Å; F93-I146 HydrophobicContact CG-CD1 3.94Å; F93-I146 HydrophobicContact CZ-CD1 3.74Å; F93-I146 HydrophobicContact CZ-CG1 4.21Å; F93-I146 HydrophobicContact CZ-CG2 4.19Å
94	A	98.3	Very high	91.5	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.1	176.7	0	0	0	0	0	109.3	C48 V49 F51 F96 F110 Q113	C48-A94 CarbonylContact C-O 3.53Å; C48-A94 WeakPolarHBondContact CA-O 3.41Å; V49-A94 PolarHBondContact N-O 3.2Å; V49-A94 PolarHBondContact O-N 3.11Å; F51-A94 HydrophobicContact CD2-CB 4.46Å; F51-A94 HydrophobicContact CE2-CB 3.94Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.57Å; A94-F96 HydrophobicContact CB-CZ 4.09Å; A94-F110 HydrophobicContact CB-CE2 4.12Å; A94-Q113 HydrophobicContact CB-CB 4.39Å
95	L	98.2	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.3	176.2	-71.2	85.2	0	0	0	109.8	L35 F47 C48 L111 G112 L131 I144	L35-L95 HydrophobicContact CD1-CD2 3.59Å; L35-L95 HydrophobicContact CD2-CD2 3.88Å; L35-L95 HydrophobicContact CG-CD2 4.41Å; F47-L95 WeakPolarHBondContact O-CA 3.22Å; C48-L95 HydrophobicContact CB-CG 4.25Å; L95-L111 HydrophobicContact CB-CB 4.06Å; L95-L111 WeakPolarHBondContact O-CB 3.38Å; L95-L111 PolarHBondContact O-N 3.37Å; L95-G112 PolarHBondContact N-O 3Å; L95-G112 PolarHBondContact O-N 2.92Å; L95-L131 HydrophobicContact CD1-CD1 4.01Å; L95-L131 HydrophobicContact CD1-CD2 3.76Å; L95-L131 HydrophobicContact CD2-CD1 4.41Å; L95-I144 HydrophobicContact CD1-CD1 4Å
96	F	97.2	Very high	91.3	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151	-179.5	-62.5	-94	0	0	0	109.6	P46 F47 V49 A94 L105 H108 D109 F110	P46-F96 CarbonylContact C-O 3.47Å; P46-F96 WeakPolarHBondContact CA-O 3.29Å; F47-F96 HydrophobicContact CD1-CB 4.2Å; F47-F96 WeakPolarHBondContact CD1-O 3.37Å; F47-F96 HydrophobicContact CE1-CB 3.54Å; F47-F96 HydrophobicContact CE2-CB 4.06Å; F47-F96 HydrophobicContact CE2-CD2 4.13Å; F47-F96 HydrophobicContact CE2-CG 4.4Å; F47-F96 HydrophobicContact CZ-CB 3.47Å; F47-F96 VanDerWaalsContact CZ-CB 3.47Å; F47-F96 HydrophobicContact CZ-CD2 4.26Å; F47-F96 HydrophobicContact CZ-CG 4.06Å; F47-F96 PolarHBondContact N-O 3.2Å; F47-F96 PolarHBondContact O-N 2.92Å; V49-F96 HydrophobicContact CB-CE2 4.28Å; V49-F96 HydrophobicContact CG2-CD2 3.9Å; V49-F96 HydrophobicContact CG2-CE2 3.9Å; A94-F96 HydrophobicContact CB-CD2 4.42Å; A94-F96 HydrophobicContact CB-CE2 3.57Å; A94-F96 HydrophobicContact CB-CZ 4.09Å; F96-L105 HydrophobicContact CD2-CD2 4.25Å; F96-L105 HydrophobicContact CE1-CB 4.18Å; F96-L105 HydrophobicContact CE2-CD1 4.2Å; F96-L105 HydrophobicContact CE2-CD2 4.1Å; F96-L105 HydrophobicContact CZ-CB 4.19Å; F96-L105 HydrophobicContact CZ-CD1 4.06Å; F96-L105 HydrophobicContact CZ-CD2 4.32Å; F96-L105 HydrophobicContact CZ-CG 4.43Å; F96-H108 HydrophobicContact CB-CB 4.08Å; F96-H108 HydrophobicContact CD1-CB 4.27Å; F96-D109 CarbonylContact C-O 3.56Å; F96-D109 VanDerWaalsContact CA-O 3.26Å; F96-D109 WeakPolarHBondContact CA-O 3.43Å; F96-F110 HydrophobicContact CD1-CB 4.45Å; F96-F110 HydrophobicContact CD1-CD2 4.1Å; F96-F110 HydrophobicContact CE1-CB 4.45Å; F96-F110 AromaticContact CE1-CD2 3.7Å; F96-F110 HydrophobicContact CE1-CD2 3.7Å; F96-F110 AromaticContact CZ-CD2 3.98Å; F96-F110 HydrophobicContact CZ-CD2 3.98Å; F96-F110 HydrophobicContact CZ-CE2 4.38Å
97	D	95.6	Very high	91.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.1	170.4	-164.3	-1.3	0	0	0	109.7	R38 S44 D45 D99 H108 D109 L111	R38-D97 WeakPolarHBondContact CB-OD2 3.35Å; S44-D97 WeakPolarHBondContact CA-OD1 3.28Å; S44-D97 VanDerWaalsContact CA-OD2 3.27Å; S44-D97 WeakPolarHBondContact CA-OD2 3.33Å; S44-D97 VanDerWaalsContact CB-CG 3.43Å; S44-D97 WeakPolarHBondContact CB-OD2 3.41Å; S44-D97 PolarHBondContact OG-OD2 2.9Å; D45-D97 WeakPolarHBondContact CA-OD1 3.32Å; D45-D97 PolarHBondContact N-OD1 3.37Å; D97-D99 PolarHBondContact O-N 3.36Å; D97-D99 VanDerWaalsContact O-N 3.14Å; D97-H108 VanDerWaalsContact O-CB 3.3Å; D97-H108 WeakPolarHBondContact O-CB 3.5Å; D97-D109 HydrophobicContact CB-CB 3.98Å; D97-D109 PolarHBondContact N-O 3.41Å; D97-D109 PolarHBondContact O-N 2.85Å; D97-L111 HydrophobicContact CB-CD1 4.15Å; D97-L111 HydrophobicContact CB-CD2 4.04Å; D97-L111 HydrophobicContact CB-CG 4.14Å
98	Q	92.1	Very high	91.3	Very high	63 Å²	63	54.8 Å²	54.8	29%	0.294	28%	0.276	S	S	.	.			trans	-82.8	92.5	-176.6	-170	174.3	7.2	0	0	112	D45 F47 T66 K100	D45-Q98 HydrophobicContact CB-CB 4.33Å; D45-Q98 PolarHBondContact O-N 3.42Å; F47-Q98 HydrophobicContact CD1-CB 3.97Å; F47-Q98 HydrophobicContact CE1-CB 4Å; F47-Q98 HydrophobicContact CE1-CG 4.49Å; T66-Q98 VanDerWaalsContact CB-OE1 3.22Å; T66-Q98 HydrophobicContact CG2-CB 3.77Å; T66-Q98 VanDerWaalsContact CG2-OE1 3.27Å; T66-Q98 PolarHBondContact OG1-OE1 2.86Å; Q98-K100 WeakPolarHBondContact CG-O 3.34Å; Q98-K100 PolarHBondContact NE2-O 2.87Å
99	D	79.2	Confident	91.4	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	28%	0.278	S	S	.	.			trans	-80.1	-25.5	175.8	-59.7	-61.7	0	0	0	113.3	D97 D109	D97-D99 PolarHBondContact O-N 3.36Å; D97-D99 VanDerWaalsContact O-N 3.14Å; D99-D109 PolarHBondContact OD2-N 2.85Å
100	K	79.2	Confident	91.5	Very high	108 Å²	108	55.5 Å²	55.5	47%	0.47	28%	0.277	S	S	.	.	S	Bend	trans	-136.8	164.4	-170.7	-59.9	-174	-162.3	160.4	0	112.7	Q98 S102 E107 H108	Q98-K100 WeakPolarHBondContact CG-O 3.34Å; Q98-K100 PolarHBondContact NE2-O 2.87Å; K100-S102 PolarHBondContact O-N 3Å; K100-E107 HydrophobicContact CD-CB 4.2Å; K100-E107 WeakPolarHBondContact CD-OE2 3.43Å; K100-E107 IonicContact NZ-OE2 2.74Å; K100-H108 PolarHBondContact O-CE1 2.86Å; K100-H108 VanDerWaalsContact O-CE1 3.3Å
101	S	80.3	Confident	91.5	Very high	122 Å²	122	51.3 Å²	51.3	85%	0.853	26%	0.259	S	S	*	.	S	Bend	trans	-78.1	1.8	171.4	56.2	0	0	0	0	114
102	S	86.2	Confident	91.5	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	26%	0.258	C	S	.	.			trans	-72.7	145.7	-179.7	-172.5	0	0	0	0	111.8	K100 R104 E107 H108	K100-S102 PolarHBondContact O-N 3Å; S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 WeakPolarHBondContact OG-CB 3.28Å; S102-R104 PolarHBondContact OG-N 3.38Å; S102-E107 VanDerWaalsContact CB-CD 3.44Å; S102-E107 WeakPolarHBondContact CB-OE2 3.22Å; S102-E107 PolarHBondContact OG-OE1 2.79Å; S102-E107 PolarHBondContact OG-OE2 2.97Å; S102-H108 PolarHBondContact O-CE1 2.81Å; S102-H108 VanDerWaalsContact O-CE1 3.25Å; S102-H108 PolarHBondContact O-NE2 2.75Å
103	M	84.3	Confident	91.5	Very high	150 Å²	150	51.1 Å²	51.1	74%	0.739	26%	0.258	S	S	*	.			trans	-82.1	-9.9	171.8	-67	-165.9	-68.2	0	0	113.1	R63	R63-M103 PolarHBondContact NH1-O 2.83Å; R63-M103 PolarHBondContact NH2-O 2.85Å; R63-M103 VanDerWaalsContact NH2-O 3.15Å
104	R	88.4	Confident	91.5	Very high	147 Å²	147	52.6 Å²	52.6	56%	0.555	27%	0.265	S	S	*	.			trans	-76.3	125.7	-176.1	-70	-178.5	55.4	165.2	-1.2	111.6	S102 D106 E107 H108	S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 WeakPolarHBondContact OG-CB 3.28Å; S102-R104 PolarHBondContact OG-N 3.38Å; R104-D106 VanDerWaalsContact C-N 3.31Å; R104-D106 WeakPolarHBondContact CB-OD1 3.37Å; R104-D106 IonicContact CZ-OD1 3.8Å; R104-D106 IonicContact CZ-OD2 2.73Å; R104-D106 IonicContact NE-OD1 3.64Å; R104-D106 PolarHBondContact NE-OD1 2.78Å; R104-D106 VanDerWaalsContact NE-OD1 3.14Å; R104-D106 IonicContact NE-OD2 3.43Å; R104-D106 IonicContact NH2-OD1 3.15Å; R104-D106 IonicContact NH2-OD2 3.84Å; R104-D106 PolarHBondContact NH2-OD2 2.91Å; R104-D106 PolarHBondContact O-N 2.72Å; R104-E107 HydrophobicContact CB-CG 4.17Å; R104-E107 WeakPolarHBondContact CD-OE1 3.31Å; R104-E107 IonicContact NE-OE1 3.69Å; R104-E107 PolarHBondContact O-N 2.74Å; R104-H108 PolarHBondContact O-CD2 2.7Å; R104-H108 PolarHBondContact O-NE2 3.31Å
105	L	90.4	Very high	91.4	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-71.1	-23.1	-175	-59.6	-179.4	0	0	0	114.1	F47 V49 F51 F96 E107 H108	F47-L105 HydrophobicContact CE2-CD2 3.99Å; F47-L105 HydrophobicContact CZ-CD2 4.16Å; V49-L105 HydrophobicContact CG2-CD2 3.89Å; F51-L105 HydrophobicContact CE1-CD1 4.38Å; F51-L105 HydrophobicContact CZ-CD1 3.62Å; F96-L105 HydrophobicContact CD2-CD2 4.25Å; F96-L105 HydrophobicContact CE1-CB 4.18Å; F96-L105 HydrophobicContact CE2-CD1 4.2Å; F96-L105 HydrophobicContact CE2-CD2 4.1Å; F96-L105 HydrophobicContact CZ-CB 4.19Å; F96-L105 HydrophobicContact CZ-CD1 4.06Å; F96-L105 HydrophobicContact CZ-CD2 4.32Å; F96-L105 HydrophobicContact CZ-CG 4.43Å; L105-E107 PolarHBondContact O-N 2.79Å; L105-H108 PolarHBondContact O-N 2.87Å
106	D	89.4	Confident	91.3	Very high	117 Å²	117	56.1 Å²	56.1	63%	0.626	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-72.9	-7.2	175.6	61.5	-45.4	0	0	0	113.3	R104	R104-D106 VanDerWaalsContact C-N 3.31Å; R104-D106 WeakPolarHBondContact CB-OD1 3.37Å; R104-D106 IonicContact CZ-OD1 3.8Å; R104-D106 IonicContact CZ-OD2 2.73Å; R104-D106 IonicContact NE-OD1 3.64Å; R104-D106 PolarHBondContact NE-OD1 2.78Å; R104-D106 VanDerWaalsContact NE-OD1 3.14Å; R104-D106 IonicContact NE-OD2 3.43Å; R104-D106 IonicContact NH2-OD1 3.15Å; R104-D106 IonicContact NH2-OD2 3.84Å; R104-D106 PolarHBondContact NH2-OD2 2.91Å; R104-D106 PolarHBondContact O-N 2.72Å
107	E	89.9	Confident	91.3	Very high	55 Å²	55	55.7 Å²	55.7	26%	0.257	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-98.7	0.4	177.6	-65.5	-173.9	-139.6	0	0	114.2	K100 S102 R104 L105	K100-E107 HydrophobicContact CD-CB 4.2Å; K100-E107 WeakPolarHBondContact CD-OE2 3.43Å; K100-E107 IonicContact NZ-OE2 2.74Å; S102-E107 VanDerWaalsContact CB-CD 3.44Å; S102-E107 WeakPolarHBondContact CB-OE2 3.22Å; S102-E107 PolarHBondContact OG-OE1 2.79Å; S102-E107 PolarHBondContact OG-OE2 2.97Å; R104-E107 HydrophobicContact CB-CG 4.17Å; R104-E107 WeakPolarHBondContact CD-OE1 3.31Å; R104-E107 IonicContact NE-OE1 3.69Å; R104-E107 PolarHBondContact O-N 2.74Å; L105-E107 PolarHBondContact O-N 2.79Å
108	H	91.5	Very high	91.3	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.056	29%	0.288	C	S	.	.	S	Bend	trans	-120.2	145	-175.8	-62.1	-53.9	0	0	0	111.1	F47 F96 D97 K100 S102 R104 L105	F47-H108 HydrophobicContact CE1-CB 4.4Å; F47-H108 HydrophobicContact CZ-CB 4.39Å; F47-H108 AromaticContact CZ-CD2 3.62Å; F47-H108 AromaticContact CZ-CG 3.99Å; F96-H108 HydrophobicContact CB-CB 4.08Å; F96-H108 HydrophobicContact CD1-CB 4.27Å; D97-H108 VanDerWaalsContact O-CB 3.3Å; D97-H108 WeakPolarHBondContact O-CB 3.5Å; K100-H108 PolarHBondContact O-CE1 2.86Å; K100-H108 VanDerWaalsContact O-CE1 3.3Å; S102-H108 PolarHBondContact O-CE1 2.81Å; S102-H108 VanDerWaalsContact O-CE1 3.25Å; S102-H108 PolarHBondContact O-NE2 2.75Å; R104-H108 PolarHBondContact O-CD2 2.7Å; R104-H108 PolarHBondContact O-NE2 3.31Å; L105-H108 PolarHBondContact O-N 2.87Å
109	D	93.1	Very high	91.5	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.6	179.1	-93.3	-2.1	0	0	0	112.7	R38 F96 D97 D99 L111	R38-D109 HydrophobicContact CB-CB 4.28Å; R38-D109 HydrophobicContact CG-CB 4.1Å; F96-D109 CarbonylContact C-O 3.56Å; F96-D109 VanDerWaalsContact CA-O 3.26Å; F96-D109 WeakPolarHBondContact CA-O 3.43Å; D97-D109 HydrophobicContact CB-CB 3.98Å; D97-D109 PolarHBondContact N-O 3.41Å; D97-D109 PolarHBondContact O-N 2.85Å; D99-D109 PolarHBondContact OD2-N 2.85Å; D109-L111 PolarHBondContact O-N 2.8Å
110	F	96.1	Very high	92.2	Very high	34 Å²	34	50.9 Å²	50.9	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.4	-178.7	-176.7	-112.6	0	0	0	112.3	R38 A94 F96 Q113 L133 L134	R38-F110 PolarHBondContact NH2-O 2.78Å; A94-F110 HydrophobicContact CB-CE2 4.12Å; F96-F110 HydrophobicContact CD1-CB 4.45Å; F96-F110 HydrophobicContact CD1-CD2 4.1Å; F96-F110 HydrophobicContact CE1-CB 4.45Å; F96-F110 AromaticContact CE1-CD2 3.7Å; F96-F110 HydrophobicContact CE1-CD2 3.7Å; F96-F110 AromaticContact CZ-CD2 3.98Å; F96-F110 HydrophobicContact CZ-CD2 3.98Å; F96-F110 HydrophobicContact CZ-CE2 4.38Å; F110-Q113 HydrophobicContact CE2-CB 4.26Å; F110-Q113 HydrophobicContact CZ-CB 3.75Å; F110-Q113 HydrophobicContact CZ-CG 3.9Å; F110-L133 HydrophobicContact CD1-CD2 4.37Å; F110-L134 HydrophobicContact CD1-CG 3.99Å; F110-L134 HydrophobicContact CE1-CD2 3.96Å; F110-L134 HydrophobicContact CE1-CG 3.75Å; F110-L134 HydrophobicContact CZ-CD2 3.99Å; F110-L134 HydrophobicContact CZ-CG 4.3Å
111	L	96.8	Very high	93.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-24.3	-178.5	-60	-179.9	0	0	0	113	L35 L36 R38 P46 L95 D97 D109 A139	L35-L111 HydrophobicContact CD1-CD1 4.46Å; L36-L111 HydrophobicContact CB-CD2 4.07Å; L36-L111 WeakPolarHBondContact O-CD2 3.46Å; R38-L111 HydrophobicContact CG-CD2 3.67Å; P46-L111 HydrophobicContact CB-CD1 3.78Å; L95-L111 HydrophobicContact CB-CB 4.06Å; L95-L111 WeakPolarHBondContact O-CB 3.38Å; L95-L111 PolarHBondContact O-N 3.37Å; D97-L111 HydrophobicContact CB-CD1 4.15Å; D97-L111 HydrophobicContact CB-CD2 4.04Å; D97-L111 HydrophobicContact CB-CG 4.14Å; D109-L111 PolarHBondContact O-N 2.8Å; L111-A139 VanDerWaalsContact O-CB 3.27Å; L111-A139 WeakPolarHBondContact O-CB 3.27Å
112	G	97.9	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.3	168.8	175.2	0	0	0	0	0	113.2	L95 L132	L95-G112 PolarHBondContact N-O 3Å; L95-G112 PolarHBondContact O-N 2.92Å; G112-L132 CarbonylContact C-O 3.5Å; G112-L132 VanDerWaalsContact CA-O 3.24Å; G112-L132 WeakPolarHBondContact CA-O 3.23Å
113	Q	98.3	Very high	94.1	Very high	33 Å²	33	40 Å²	40	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.9	178.1	64.8	-179.7	12	0	0	112.7	F93 A94 F110 L132	F93-Q113 CarbonylContact O-C 3.57Å; F93-Q113 WeakPolarHBondContact O-CA 3.26Å; F93-Q113 WeakPolarHBondContact O-CB 3.43Å; A94-Q113 HydrophobicContact CB-CB 4.39Å; F110-Q113 HydrophobicContact CE2-CB 4.26Å; F110-Q113 HydrophobicContact CZ-CB 3.75Å; F110-Q113 HydrophobicContact CZ-CG 3.9Å; Q113-L132 PolarHBondContact N-O 3.18Å; Q113-L132 PolarHBondContact O-N 3Å
114	F	98.3	Very high	94.4	Very high	32 Å²	32	35.6 Å²	35.6	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.3	168.7	170.7	-110.6	0	0	0	108.9	K92 F93 C116 I127 R129 L131 I144 I146	K92-F114 WeakPolarHBondContact CA-O 3.19Å; F93-F114 HydrophobicContact CD2-CD1 4.3Å; F93-F114 PolarHBondContact N-O 3.48Å; F93-F114 PolarHBondContact O-N 2.86Å; F114-C116 HydrophobicContact CE1-CB 3.86Å; F114-C116 WeakPolarHBondContact CE1-SG 3.31Å; F114-C116 HydrophobicContact CZ-CB 3.65Å; F114-I127 HydrophobicContact CE1-CD1 3.56Å; F114-I127 HydrophobicContact CZ-CD1 3.9Å; F114-R129 HydrophobicContact CD2-CB 3.75Å; F114-R129 HydrophobicContact CD2-CG 4.26Å; F114-R129 HydrophobicContact CE1-CB 4.43Å; F114-R129 HydrophobicContact CE1-CG 4.33Å; F114-R129 HydrophobicContact CE2-CB 3.6Å; F114-R129 HydrophobicContact CE2-CG 3.57Å; F114-R129 HydrophobicContact CG-CB 4.26Å; F114-R129 HydrophobicContact CZ-CB 3.97Å; F114-R129 HydrophobicContact CZ-CG 3.61Å; F114-L131 HydrophobicContact CB-CD2 4.15Å; F114-I144 HydrophobicContact CB-CG2 3.63Å; F114-I144 HydrophobicContact CD1-CG2 3.97Å; F114-I144 HydrophobicContact CG-CG2 3.9Å; F114-I146 HydrophobicContact CD1-CD1 3.76Å; F114-I146 HydrophobicContact CE1-CD1 3.86Å
115	S	97.5	Very high	94.6	Very high	55 Å²	55	32.1 Å²	32.1	39%	0.385	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.5	178.4	-57.8	0	0	0	0	110.4	L91 K92	L91-S115 VanDerWaalsContact O-CA 3.26Å; L91-S115 WeakPolarHBondContact O-CA 3.44Å; K92-S115 WeakPolarHBondContact CB-OG 3.48Å; K92-S115 WeakPolarHBondContact CG-OG 3.47Å
116	C	96.6	Very high	94.8	Very high	22 Å²	22	36.7 Å²	36.7	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	176	175.8	62.3	0	0	0	0	109.7	L91 F114	L91-C116 WeakPolarHBondContact CA-O 3.23Å; L91-C116 PolarHBondContact N-O 3.18Å; L91-C116 PolarHBondContact O-N 2.98Å; F114-C116 HydrophobicContact CE1-CB 3.86Å; F114-C116 WeakPolarHBondContact CE1-SG 3.31Å; F114-C116 HydrophobicContact CZ-CB 3.65Å
117	S	96.3	Very high	95.1	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	155.4	168.3	62.1	0	0	0	0	111.4	Q89 G119 T120 I121 D351	Q89-S117 CarbonylContact O-C 3.58Å; Q89-S117 VanDerWaalsContact O-CA 3.32Å; Q89-S117 WeakPolarHBondContact O-CA 3.24Å; S117-G119 PolarHBondContact O-N 2.63Å; S117-T120 WeakPolarHBondContact O-CB 3.36Å; S117-T120 PolarHBondContact O-N 3.14Å; S117-T120 PolarHBondContact OG-N 3.03Å; S117-T120 VanDerWaalsContact OG-N 3.12Å; S117-T120 PolarHBondContact OG-OG1 3.46Å; S117-I121 PolarHBondContact O-N 2.8Å; S117-D351 WeakPolarHBondContact CB-OD2 3.17Å; S117-D351 PolarHBondContact OG-OD2 3.41Å
118	L	96.6	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-39	169.5	-177.3	55.5	0	0	0	111.2	V26 L28 L81 Y83 Q89 L91 T120 I121 V122	V26-L118 HydrophobicContact CG1-CD1 4.18Å; L28-L118 HydrophobicContact CD1-CD1 4.17Å; L28-L118 HydrophobicContact CD2-CD1 4.12Å; L81-L118 HydrophobicContact CB-CD2 4.26Å; L81-L118 HydrophobicContact CD1-CD1 4.24Å; L81-L118 HydrophobicContact CD1-CD2 4.41Å; Y83-L118 HydrophobicContact CD2-CD2 3.92Å; Y83-L118 HydrophobicContact CD2-CG 4.14Å; Q89-L118 HydrophobicContact CB-CB 4.01Å; Q89-L118 PolarHBondContact O-N 2.88Å; L91-L118 HydrophobicContact CD1-CB 3.99Å; L91-L118 HydrophobicContact CD1-CD1 4.06Å; L91-L118 HydrophobicContact CG-CB 4.44Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 3.5Å; L118-I121 PolarHBondContact O-N 3.48Å; L118-V122 HydrophobicContact CD1-CG1 4.15Å; L118-V122 HydrophobicContact CG-CG1 4.4Å; L118-V122 PolarHBondContact O-N 2.95Å
119	G	95.1	Very high	95.8	Very high	4 Å²	4	36 Å²	36	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-50.9	-47	173.7	0	0	0	0	0	113.1	S117 I121 V122 S123	S117-G119 PolarHBondContact O-N 2.63Å; G119-I121 VanDerWaalsContact C-N 3.31Å; G119-I121 PolarHBondContact O-N 3.01Å; G119-V122 VanDerWaalsContact O-CG2 3.25Å; G119-V122 WeakPolarHBondContact O-CG2 3.44Å; G119-V122 PolarHBondContact O-N 3.49Å; G119-S123 WeakPolarHBondContact O-CB 3.43Å; G119-S123 PolarHBondContact O-N 2.93Å; G119-S123 PolarHBondContact O-OG 3.12Å
120	T	95.2	Very high	96	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-37.2	177.6	-63.3	0	0	0	0	112.5	S117 L118 S123 S124 D351	S117-T120 WeakPolarHBondContact O-CB 3.36Å; S117-T120 PolarHBondContact O-N 3.14Å; S117-T120 PolarHBondContact OG-N 3.03Å; S117-T120 VanDerWaalsContact OG-N 3.12Å; S117-T120 PolarHBondContact OG-OG1 3.46Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 3.5Å; T120-S123 PolarHBondContact O-OG 2.73Å; T120-S123 VanDerWaalsContact O-OG 3.13Å; T120-S124 WeakPolarHBondContact O-CB 3.24Å; T120-S124 PolarHBondContact O-N 3.45Å; T120-S124 PolarHBondContact O-OG 3.28Å; T120-S124 VanDerWaalsContact O-OG 3.09Å; T120-D351 PolarHBondContact OG1-OD1 2.8Å
121	I	96.2	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-47.5	-179.3	-54.7	170.3	0	0	0	109.7	L28 L91 F93 S117 L118 G119 S124 K125 I127 I146 A148	L28-I121 HydrophobicContact CD1-CD1 4.03Å; L28-I121 HydrophobicContact CD2-CG2 3.99Å; L91-I121 HydrophobicContact CD1-CD1 3.78Å; F93-I121 HydrophobicContact CE2-CD1 4.02Å; F93-I121 HydrophobicContact CZ-CD1 3.97Å; S117-I121 PolarHBondContact O-N 2.8Å; L118-I121 PolarHBondContact O-N 3.48Å; G119-I121 VanDerWaalsContact C-N 3.31Å; G119-I121 PolarHBondContact O-N 3.01Å; I121-S124 PolarHBondContact O-N 2.94Å; I121-K125 PolarHBondContact O-N 2.81Å; I121-I127 HydrophobicContact CG1-CD1 3.79Å; I121-I146 HydrophobicContact CD1-CG2 4.09Å; I121-I146 HydrophobicContact CG2-CB 4.47Å; I121-I146 HydrophobicContact CG2-CG2 3.8Å; I121-A148 HydrophobicContact CG2-CB 3.87Å
122	V	94.8	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-36.6	-177.1	-61	0	0	0	0	112.2	V26 Y83 L118 G119 S124 K125 A148 L297 I300 L301 Y352	V26-V122 HydrophobicContact CG1-CG1 4.05Å; V26-V122 HydrophobicContact CG2-CG1 4.19Å; Y83-V122 HydrophobicContact CE2-CG2 4.03Å; L118-V122 HydrophobicContact CD1-CG1 4.15Å; L118-V122 HydrophobicContact CG-CG1 4.4Å; L118-V122 PolarHBondContact O-N 2.95Å; G119-V122 VanDerWaalsContact O-CG2 3.25Å; G119-V122 WeakPolarHBondContact O-CG2 3.44Å; G119-V122 PolarHBondContact O-N 3.49Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.17Å; V122-K125 PolarHBondContact O-N 3.21Å; V122-A148 HydrophobicContact CG1-CB 4.11Å; V122-L297 HydrophobicContact CB-CD1 3.83Å; V122-L297 HydrophobicContact CG1-CD1 4.14Å; V122-L297 HydrophobicContact CG2-CD1 3.97Å; V122-I300 HydrophobicContact CG2-CG2 4.16Å; V122-L301 HydrophobicContact CB-CD2 4.16Å; V122-L301 WeakPolarHBondContact O-CD2 3.45Å; V122-Y352 HydrophobicContact CG2-CE1 4.04Å
123	S	93.1	Very high	96.1	Very high	31 Å²	31	39.3 Å²	39.3	22%	0.217	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-29.5	176.4	66	0	0	0	0	113	G119 T120 D351	G119-S123 WeakPolarHBondContact O-CB 3.43Å; G119-S123 PolarHBondContact O-N 2.93Å; G119-S123 PolarHBondContact O-OG 3.12Å; T120-S123 PolarHBondContact O-OG 2.73Å; T120-S123 VanDerWaalsContact O-OG 3.13Å; S123-D351 WeakPolarHBondContact CB-O 3.22Å; S123-D351 PolarHBondContact OG-O 2.73Å
124	S	91.9	Very high	95.9	Very high	56 Å²	56	44 Å²	44	39%	0.392	24%	0.236	S	C	.	.	H	α-helix	trans	-89.2	-14.4	176.8	-61.4	0	0	0	0	113.3	T120 I121 V122 K126 I127	T120-S124 WeakPolarHBondContact O-CB 3.24Å; T120-S124 PolarHBondContact O-N 3.45Å; T120-S124 PolarHBondContact O-OG 3.28Å; T120-S124 VanDerWaalsContact O-OG 3.09Å; I121-S124 PolarHBondContact O-N 2.94Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.17Å; S124-K126 PolarHBondContact O-N 2.89Å; S124-I127 WeakPolarHBondContact OG-CG2 3.31Å
125	K	91	Very high	95.7	Very high	74 Å²	74	46.8 Å²	46.8	32%	0.322	25%	0.252	S	S	.	.	S	Bend	trans	58.5	-39.9	-165.7	-173.6	178.5	-176.9	170.3	0	114.6	I121 V122 A147 A148 L301	I121-K125 PolarHBondContact O-N 2.81Å; V122-K125 PolarHBondContact O-N 3.21Å; K125-A147 CarbonylContact O-C 3.57Å; K125-A147 WeakPolarHBondContact O-CA 3.3Å; K125-A148 PolarHBondContact O-N 2.64Å; K125-L301 HydrophobicContact CB-CD2 4.38Å; K125-L301 WeakPolarHBondContact CD-O 3.5Å; K125-L301 HydrophobicContact CG-CD2 4.34Å
126	K	94.8	Very high	95.5	Very high	136 Å²	136	49.8 Å²	49.8	59%	0.591	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.3	126.9	177.7	-179	179.1	180	179.8	0	109.7	S124 T145 I146 A147	S124-K126 PolarHBondContact O-N 2.89Å; K126-T145 HydrophobicContact CD-CG2 4.34Å; K126-T145 VanDerWaalsContact CE-CG2 3.41Å; K126-T145 HydrophobicContact CG-CG2 4.02Å; K126-I146 CarbonylContact C-O 3.45Å; K126-I146 VanDerWaalsContact CA-O 3.3Å; K126-I146 WeakPolarHBondContact CA-O 3.43Å; K126-A147 HydrophobicContact CB-CB 4.29Å; K126-A147 HydrophobicContact CG-CB 4.2Å
127	I	95.5	Very high	95.5	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.8	175.2	60.7	173.4	0	0	0	110.5	F114 I121 S124 T145 I146	F114-I127 HydrophobicContact CE1-CD1 3.56Å; F114-I127 HydrophobicContact CZ-CD1 3.9Å; I121-I127 HydrophobicContact CG1-CD1 3.79Å; S124-I127 WeakPolarHBondContact OG-CG2 3.31Å; I127-T145 CarbonylContact O-C 3.48Å; I127-T145 VanDerWaalsContact O-CA 3.23Å; I127-T145 WeakPolarHBondContact O-CA 3.3Å; I127-I146 HydrophobicContact CD1-CD1 4.09Å; I127-I146 HydrophobicContact CG1-CB 3.99Å; I127-I146 HydrophobicContact CG1-CD1 4.32Å; I127-I146 PolarHBondContact N-O 3.26Å; I127-I146 PolarHBondContact O-N 2.78Å
128	T	97.9	Very high	95.5	Very high	55 Å²	55	59 Å²	59	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.1	168.1	-60.5	0	0	0	0	108.3	L143 I144 T145	T128-L143 HydrophobicContact CG2-CB 4.2Å; T128-L143 HydrophobicContact CG2-CD1 4.12Å; T128-I144 CarbonylContact C-O 3.49Å; T128-I144 VanDerWaalsContact CA-O 3.3Å; T128-I144 WeakPolarHBondContact CA-O 3.32Å; T128-T145 WeakPolarHBondContact CG2-OG1 3.34Å; T128-T145 PolarHBondContact OG1-OG1 2.71Å
129	R	97.9	Very high	95.4	Very high	111 Å²	111	59 Å²	59	42%	0.419	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.1	-174.1	-69	-65.9	-176.8	-89	0.4	111.6	F114 L143 I144	F114-R129 HydrophobicContact CD2-CB 3.75Å; F114-R129 HydrophobicContact CD2-CG 4.26Å; F114-R129 HydrophobicContact CE1-CB 4.43Å; F114-R129 HydrophobicContact CE1-CG 4.33Å; F114-R129 HydrophobicContact CE2-CB 3.6Å; F114-R129 HydrophobicContact CE2-CG 3.57Å; F114-R129 HydrophobicContact CG-CB 4.26Å; F114-R129 HydrophobicContact CZ-CB 3.97Å; F114-R129 HydrophobicContact CZ-CG 3.61Å; R129-L143 WeakPolarHBondContact O-CA 3.34Å; R129-I144 PolarHBondContact N-O 3.43Å; R129-I144 PolarHBondContact O-N 2.81Å
130	P	98.1	Very high	95.4	Very high	73 Å²	73	61.2 Å²	61.2	47%	0.474	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	145	173	29.4	-34.3	0	0	0	110.9	G142 L143	P130-G142 WeakPolarHBondContact CA-O 3.28Å; P130-L143 HydrophobicContact CB-CD2 4.27Å
131	L	98.2	Very high	95.4	Very high	1 Å²	1	68 Å²	68	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.2	170.4	-72.3	168.7	0	0	0	110.5	L35 L95 F114 A139 G142 I144	L35-L131 HydrophobicContact CD2-CD1 3.44Å; L35-L131 VanDerWaalsContact CD2-CD1 3.44Å; L95-L131 HydrophobicContact CD1-CD1 4.01Å; L95-L131 HydrophobicContact CD1-CD2 3.76Å; L95-L131 HydrophobicContact CD2-CD1 4.41Å; F114-L131 HydrophobicContact CB-CD2 4.15Å; L131-A139 HydrophobicContact CB-CB 3.96Å; L131-A139 WeakPolarHBondContact O-CB 3.23Å; L131-A139 PolarHBondContact O-N 2.83Å; L131-G142 PolarHBondContact N-O 2.69Å; L131-I144 HydrophobicContact CD2-CB 3.89Å; L131-I144 HydrophobicContact CD2-CG2 3.82Å; L131-I144 HydrophobicContact CG-CB 4.17Å; L131-I144 HydrophobicContact CG-CG2 4.26Å
132	L	98.1	Very high	95.5	Very high	60 Å²	60	68.1 Å²	68.1	31%	0.314	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.7	178.1	-58.4	-179.7	0	0	0	110.8	G112 Q113 K137	G112-L132 CarbonylContact C-O 3.5Å; G112-L132 VanDerWaalsContact CA-O 3.24Å; G112-L132 WeakPolarHBondContact CA-O 3.23Å; Q113-L132 PolarHBondContact N-O 3.18Å; Q113-L132 PolarHBondContact O-N 3Å; L132-K137 CarbonylContact C-O 3.07Å; L132-K137 WeakPolarHBondContact CA-O 3.36Å
133	L	97	Very high	95.7	Very high	39 Å²	39	70.5 Å²	70.5	20%	0.204	37%	0.372	C	S	.	.			trans	-76.4	170.9	168.5	-64.6	177.6	0	0	0	110.4	L36 F110 N135 D136 K137 A139	L36-L133 HydrophobicContact CD1-CD2 4.02Å; F110-L133 HydrophobicContact CD1-CD2 4.37Å; L133-N135 VanDerWaalsContact CB-OD1 3.32Å; L133-N135 WeakPolarHBondContact CB-OD1 3.38Å; L133-N135 PolarHBondContact O-N 3.06Å; L133-D136 PolarHBondContact O-N 3.27Å; L133-K137 PolarHBondContact N-O 3.08Å; L133-A139 HydrophobicContact CD2-CB 3.83Å; L133-A139 HydrophobicContact CG-CB 4.01Å
134	L	93.6	Very high	95.9	Very high	131 Å²	131	69 Å²	69	69%	0.686	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.8	178.4	-64.8	176.4	0	0	0	114.1	F110	F110-L134 HydrophobicContact CD1-CG 3.99Å; F110-L134 HydrophobicContact CE1-CD2 3.96Å; F110-L134 HydrophobicContact CE1-CG 3.75Å; F110-L134 HydrophobicContact CZ-CD2 3.99Å; F110-L134 HydrophobicContact CZ-CG 4.3Å
135	N	93.9	Very high	96.2	Very high	91 Å²	91	66.7 Å²	66.7	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	19.8	175.9	65.5	1.1	0	0	0	112.8	L133 K137	L133-N135 VanDerWaalsContact CB-OD1 3.32Å; L133-N135 WeakPolarHBondContact CB-OD1 3.38Å; L133-N135 PolarHBondContact O-N 3.06Å; N135-K137 PolarHBondContact O-N 3Å; N135-K137 WeakPolarHBondContact OD1-CB 3.41Å; N135-K137 PolarHBondContact OD1-N 3.07Å
136	D	93.9	Very high	96.6	Very high	118 Å²	118	63.2 Å²	63.2	63%	0.631	33%	0.33	S	S	*	.	S	Bend	trans	60.1	10.4	-179.7	-56.9	-47.1	0	0	0	115.5	L133	L133-D136 PolarHBondContact O-N 3.27Å
137	K	95.9	Very high	96.7	Very high	134 Å²	134	58.2 Å²	58.2	58%	0.583	31%	0.314	S	S	*	.			trans	-78.2	149.5	171.3	-64.6	-174.3	-179.4	-179.6	0	110.5	L132 L133 N135 A139	L132-K137 CarbonylContact C-O 3.07Å; L132-K137 WeakPolarHBondContact CA-O 3.36Å; L133-K137 PolarHBondContact N-O 3.08Å; N135-K137 PolarHBondContact O-N 3Å; N135-K137 WeakPolarHBondContact OD1-CB 3.41Å; N135-K137 PolarHBondContact OD1-N 3.07Å; K137-A139 PolarHBondContact O-N 2.85Å
138	P	96.4	Very high	96.7	Very high	90 Å²	90	58.4 Å²	58.4	58%	0.584	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	132.3	172.4	-26	34.6	0	0	0	112.1	G140	P138-G140 PolarHBondContact O-N 2.81Å
139	A	95.3	Very high	96.4	Very high	1 Å²	1	61 Å²	61	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	68.2	173.2	0	0	0	0	0	110.4	L36 L111 L131 L133 K137 K141 G142	L36-A139 HydrophobicContact CD1-CB 4.11Å; L111-A139 VanDerWaalsContact O-CB 3.27Å; L111-A139 WeakPolarHBondContact O-CB 3.27Å; L131-A139 HydrophobicContact CB-CB 3.96Å; L131-A139 WeakPolarHBondContact O-CB 3.23Å; L131-A139 PolarHBondContact O-N 2.83Å; L133-A139 HydrophobicContact CD2-CB 3.83Å; L133-A139 HydrophobicContact CG-CB 4.01Å; K137-A139 PolarHBondContact O-N 2.85Å; A139-K141 PolarHBondContact O-N 2.95Å; A139-G142 PolarHBondContact O-N 3.39Å
140	G	94.4	Very high	96	Very high	49 Å²	49	56.2 Å²	56.2	51%	0.505	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-126.3	-174.6	0	0	0	0	0	111.9	P138	P138-G140 PolarHBondContact O-N 2.81Å
141	K	95.9	Very high	95.4	Very high	174 Å²	174	56.3 Å²	56.3	76%	0.757	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	13	173.9	-63.1	-178.4	-178.6	177.3	0	112.2	N34 A139 L143	N34-K141 HydrophobicContact CB-CB 4.15Å; N34-K141 CarbonylContact O-C 3.57Å; A139-K141 PolarHBondContact O-N 2.95Å; K141-L143 PolarHBondContact O-N 3.47Å
142	G	97.5	Very high	94.6	Very high	2 Å²	2	58.3 Å²	58.3	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	125.9	-176	0	0	0	0	0	111.6	Q33 N34 P130 L131 A139	Q33-G142 CarbonylContact O-C 3.56Å; Q33-G142 WeakPolarHBondContact O-CA 3.48Å; N34-G142 VanDerWaalsContact O-CA 3.24Å; N34-G142 WeakPolarHBondContact O-CA 3.22Å; N34-G142 PolarHBondContact O-N 2.94Å; P130-G142 WeakPolarHBondContact CA-O 3.28Å; L131-G142 PolarHBondContact N-O 2.69Å; A139-G142 PolarHBondContact O-N 3.39Å
143	L	98.4	Very high	93.8	Very high	50 Å²	50	57.8 Å²	57.8	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.2	172.3	-53.4	178.2	0	0	0	109.5	G32 Q33 T128 R129 P130 K141	G32-L143 CarbonylContact C-O 3.55Å; G32-L143 WeakPolarHBondContact CA-O 3.45Å; Q33-L143 HydrophobicContact CB-CB 4.27Å; Q33-L143 PolarHBondContact N-O 3.05Å; Q33-L143 PolarHBondContact O-N 2.91Å; T128-L143 HydrophobicContact CG2-CB 4.2Å; T128-L143 HydrophobicContact CG2-CD1 4.12Å; R129-L143 WeakPolarHBondContact O-CA 3.34Å; P130-L143 HydrophobicContact CB-CD2 4.27Å; K141-L143 PolarHBondContact O-N 3.47Å
144	I	98.6	Very high	93.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.5	165.1	-172.9	177.3	0	0	0	108.7	V30 S31 F93 L95 F114 T128 R129 L131 I146	V30-I144 HydrophobicContact CG1-CD1 3.84Å; V30-I144 HydrophobicContact CG1-CG1 3.89Å; S31-I144 CarbonylContact O-C 3.59Å; S31-I144 WeakPolarHBondContact O-CA 3.5Å; F93-I144 HydrophobicContact CB-CD1 3.43Å; F93-I144 VanDerWaalsContact CB-CD1 3.43Å; F93-I144 HydrophobicContact CD1-CD1 4.29Å; F93-I144 HydrophobicContact CG-CD1 3.92Å; L95-I144 HydrophobicContact CD1-CD1 4Å; F114-I144 HydrophobicContact CB-CG2 3.63Å; F114-I144 HydrophobicContact CD1-CG2 3.97Å; F114-I144 HydrophobicContact CG-CG2 3.9Å; T128-I144 CarbonylContact C-O 3.49Å; T128-I144 VanDerWaalsContact CA-O 3.3Å; T128-I144 WeakPolarHBondContact CA-O 3.32Å; R129-I144 PolarHBondContact N-O 3.43Å; R129-I144 PolarHBondContact O-N 2.81Å; L131-I144 HydrophobicContact CD2-CB 3.89Å; L131-I144 HydrophobicContact CD2-CG2 3.82Å; L131-I144 HydrophobicContact CG-CB 4.17Å; L131-I144 HydrophobicContact CG-CG2 4.26Å; I144-I146 HydrophobicContact CD1-CD1 4.08Å; I144-I146 HydrophobicContact CD1-CG1 4.08Å; I144-I146 HydrophobicContact CG1-CD1 4.43Å; I144-I146 HydrophobicContact CG1-CG1 4.12Å
145	T	98.6	Very high	93	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.2	170.4	-61.6	0	0	0	0	109.1	V30 S31 K126 I127 T128	V30-T145 CarbonylContact C-O 3.55Å; V30-T145 WeakPolarHBondContact CA-O 3.3Å; S31-T145 PolarHBondContact N-O 3.43Å; S31-T145 PolarHBondContact O-N 2.9Å; K126-T145 HydrophobicContact CD-CG2 4.34Å; K126-T145 VanDerWaalsContact CE-CG2 3.41Å; K126-T145 HydrophobicContact CG-CG2 4.02Å; I127-T145 CarbonylContact O-C 3.48Å; I127-T145 VanDerWaalsContact O-CA 3.23Å; I127-T145 WeakPolarHBondContact O-CA 3.3Å; T128-T145 WeakPolarHBondContact CG2-OG1 3.34Å; T128-T145 PolarHBondContact OG1-OG1 2.71Å
146	I	98.5	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.2	177	-55.9	149.4	0	0	0	107.6	L28 S29 V30 F93 F114 I121 K126 I127 I144	L28-I146 HydrophobicContact CB-CG2 4.29Å; L28-I146 HydrophobicContact CD1-CG2 4.46Å; L28-I146 HydrophobicContact CD2-CG2 4.37Å; S29-I146 CarbonylContact O-C 3.52Å; S29-I146 VanDerWaalsContact O-CA 3.28Å; S29-I146 WeakPolarHBondContact O-CA 3.29Å; V30-I146 HydrophobicContact CG2-CG1 4.31Å; F93-I146 HydrophobicContact CD1-CD1 4.18Å; F93-I146 HydrophobicContact CD1-CG1 4.37Å; F93-I146 HydrophobicContact CD2-CD1 3.56Å; F93-I146 HydrophobicContact CE1-CD1 4.08Å; F93-I146 HydrophobicContact CE1-CG1 4.18Å; F93-I146 HydrophobicContact CE1-CG2 4.4Å; F93-I146 HydrophobicContact CE2-CD1 3.47Å; F93-I146 VanDerWaalsContact CE2-CD1 3.47Å; F93-I146 HydrophobicContact CE2-CG1 4.41Å; F93-I146 HydrophobicContact CG-CD1 3.94Å; F93-I146 HydrophobicContact CZ-CD1 3.74Å; F93-I146 HydrophobicContact CZ-CG1 4.21Å; F93-I146 HydrophobicContact CZ-CG2 4.19Å; F114-I146 HydrophobicContact CD1-CD1 3.76Å; F114-I146 HydrophobicContact CE1-CD1 3.86Å; I121-I146 HydrophobicContact CD1-CG2 4.09Å; I121-I146 HydrophobicContact CG2-CB 4.47Å; I121-I146 HydrophobicContact CG2-CG2 3.8Å; K126-I146 CarbonylContact C-O 3.45Å; K126-I146 VanDerWaalsContact CA-O 3.3Å; K126-I146 WeakPolarHBondContact CA-O 3.43Å; I127-I146 HydrophobicContact CD1-CD1 4.09Å; I127-I146 HydrophobicContact CG1-CB 3.99Å; I127-I146 HydrophobicContact CG1-CD1 4.32Å; I127-I146 PolarHBondContact N-O 3.26Å; I127-I146 PolarHBondContact O-N 2.78Å; I144-I146 HydrophobicContact CD1-CD1 4.08Å; I144-I146 HydrophobicContact CD1-CG1 4.08Å; I144-I146 HydrophobicContact CG1-CD1 4.43Å; I144-I146 HydrophobicContact CG1-CG1 4.12Å
147	A	97.1	Very high	93	Very high	31 Å²	31	46.3 Å²	46.3	26%	0.256	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.4	175.2	0	0	0	0	0	110.1	L28 S29 K125 K126	L28-A147 WeakPolarHBondContact CA-O 3.47Å; S29-A147 PolarHBondContact N-O 3.23Å; S29-A147 PolarHBondContact O-N 3.09Å; K125-A147 CarbonylContact O-C 3.57Å; K125-A147 WeakPolarHBondContact O-CA 3.3Å; K126-A147 HydrophobicContact CB-CB 4.29Å; K126-A147 HydrophobicContact CG-CB 4.2Å
148	A	95.4	Very high	93	Very high	8 Å²	8	41.7 Å²	41.7	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144	-179.7	0	0	0	0	0	111.8	V26 E27 L28 I121 V122 K125 L301	V26-A148 HydrophobicContact CG1-CB 3.99Å; E27-A148 WeakPolarHBondContact O-CA 2.8Å; L28-A148 HydrophobicContact CD2-CB 3.7Å; I121-A148 HydrophobicContact CG2-CB 3.87Å; V122-A148 HydrophobicContact CG1-CB 4.11Å; K125-A148 PolarHBondContact O-N 2.64Å; A148-L301 HydrophobicContact CB-CD2 3.99Å
149	Q	91.9	Very high	93	Very high	110 Å²	110	37.4 Å²	37.4	51%	0.514	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.3	170	178.1	171	-1.7	0	0	109.3	V26 E27	V26-Q149 WeakPolarHBondContact CA-O 3.28Å; E27-Q149 PolarHBondContact N-O 3.04Å; E27-Q149 PolarHBondContact O-N 3.44Å
150	E	89.6	Confident	93	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	169.4	-173.1	-178.2	170.3	0	0	110	S152 S295 L297 D298 L301	E150-S152 VanDerWaalsContact CG-OG 3.26Å; E150-S152 WeakPolarHBondContact CG-OG 3.23Å; E150-S152 PolarHBondContact O-N 3.02Å; E150-S152 WeakPolarHBondContact OE1-CB 3.4Å; E150-S152 PolarHBondContact OE1-OG 2.92Å; E150-S295 PolarHBondContact OE1-OG 3.26Å; E150-S295 PolarHBondContact OE2-OG 3.38Å; E150-L297 HydrophobicContact CB-CD2 3.92Å; E150-L297 HydrophobicContact CB-CG 4.43Å; E150-L297 HydrophobicContact CG-CD2 3.9Å; E150-D298 PolarHBondContact OE2-N 3.25Å; E150-L301 HydrophobicContact CB-CD1 3.82Å
151	L	84.9	Confident	93.2	Very high	75 Å²	75	36.7 Å²	36.7	39%	0.393	19%	0.191	S	C	.	.			trans	-90.7	75.8	171.4	-66.7	-177.2	0	0	0	109.8	K25 E27 V80	K25-L151 HydrophobicContact CB-CB 4.03Å; K25-L151 HydrophobicContact CB-CD1 4.46Å; K25-L151 PolarHBondContact O-N 2.86Å; E27-L151 HydrophobicContact CB-CD1 3.94Å; E27-L151 HydrophobicContact CB-CD2 3.85Å; E27-L151 HydrophobicContact CB-CG 3.75Å; V80-L151 HydrophobicContact CB-CD1 4.39Å; V80-L151 HydrophobicContact CG1-CD1 3.7Å; V80-L151 HydrophobicContact CG2-CD1 3.78Å
152	S	80.9	Confident	93.3	Very high	43 Å²	43	28.4 Å²	28.4	30%	0.301	16%	0.155	S	C	.	.			trans	-143.9	144.1	172.6	62.2	0	0	0	0	110.7	E150 N154	E150-S152 VanDerWaalsContact CG-OG 3.26Å; E150-S152 WeakPolarHBondContact CG-OG 3.23Å; E150-S152 PolarHBondContact O-N 3.02Å; E150-S152 WeakPolarHBondContact OE1-CB 3.4Å; E150-S152 PolarHBondContact OE1-OG 2.92Å; S152-N154 WeakPolarHBondContact CB-OD1 3.3Å; S152-N154 VanDerWaalsContact OG-CG 3.3Å; S152-N154 PolarHBondContact OG-ND2 3.05Å; S152-N154 PolarHBondContact OG-OD1 3.15Å
153	D	81.5	Confident	93.3	Very high	48 Å²	48	28.6 Å²	28.6	26%	0.257	16%	0.157	S	C	.	.			trans	-99.2	86	167.1	-175.9	2.1	0	0	0	108.7	R155 V215 G220	D153-R155 PolarHBondContact O-N 3.35Å; D153-R155 WeakPolarHBondContact OD1-CB 3.49Å; D153-R155 VanDerWaalsContact OD1-CG 3.22Å; D153-R155 WeakPolarHBondContact OD1-CG 3.25Å; D153-R155 IonicContact OD1-CZ 3.16Å; D153-R155 PolarHBondContact OD1-N 3.37Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 2.87Å; D153-R155 PolarHBondContact OD1-NE 3.08Å; D153-R155 IonicContact OD1-NH2 2.73Å; D153-R155 IonicContact OD2-CZ 2.75Å; D153-R155 IonicContact OD2-NE 2.69Å; D153-R155 PolarHBondContact OD2-NE 2.9Å; D153-R155 IonicContact OD2-NH2 2.75Å; D153-R155 PolarHBondContact OD2-NH2 3.39Å; D153-V215 HydrophobicContact CB-CG1 3.59Å; D153-G220 WeakPolarHBondContact OD2-CA 3.12Å
154	N	84.6	Confident	93.3	Very high	36 Å²	36	30 Å²	30	19%	0.193	16%	0.158	C	C	.	.			trans	-81.3	16.2	179.5	-67.1	-14.4	0	0	0	112.5	S152 R292 D293 S295 D298	S152-N154 WeakPolarHBondContact CB-OD1 3.3Å; S152-N154 VanDerWaalsContact OG-CG 3.3Å; S152-N154 PolarHBondContact OG-ND2 3.05Å; S152-N154 PolarHBondContact OG-OD1 3.15Å; N154-R292 HydrophobicContact CB-CG 4.31Å; N154-D293 WeakPolarHBondContact CB-O 3.37Å; N154-D293 PolarHBondContact O-N 3.42Å; N154-S295 WeakPolarHBondContact ND2-CB 3.24Å; N154-D298 PolarHBondContact ND2-OD2 2.62Å
155	R	89.8	Confident	93.2	Very high	82 Å²	82	38.1 Å²	38.1	31%	0.309	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.4	175.2	-65	176.2	-66.6	168.1	4.4	109.8	D153 L214 G220 I290 N291	D153-R155 PolarHBondContact O-N 3.35Å; D153-R155 WeakPolarHBondContact OD1-CB 3.49Å; D153-R155 VanDerWaalsContact OD1-CG 3.22Å; D153-R155 WeakPolarHBondContact OD1-CG 3.25Å; D153-R155 IonicContact OD1-CZ 3.16Å; D153-R155 PolarHBondContact OD1-N 3.37Å; D153-R155 VanDerWaalsContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 2.87Å; D153-R155 PolarHBondContact OD1-NE 3.08Å; D153-R155 IonicContact OD1-NH2 2.73Å; D153-R155 IonicContact OD2-CZ 2.75Å; D153-R155 IonicContact OD2-NE 2.69Å; D153-R155 PolarHBondContact OD2-NE 2.9Å; D153-R155 IonicContact OD2-NH2 2.75Å; D153-R155 PolarHBondContact OD2-NH2 3.39Å; R155-L214 HydrophobicContact CB-CB 3.94Å; R155-L214 HydrophobicContact CB-CD2 3.84Å; R155-L214 VanDerWaalsContact O-CB 3.29Å; R155-L214 WeakPolarHBondContact O-CB 3.25Å; R155-L214 PolarHBondContact O-N 3.21Å; R155-G220 PolarHBondContact NH2-O 2.85Å; R155-I290 HydrophobicContact CB-CG2 4.15Å; R155-I290 HydrophobicContact CG-CG2 4.42Å; R155-N291 CarbonylContact C-O 3.6Å; R155-N291 WeakPolarHBondContact CA-O 3.32Å
156	V	92.7	Very high	93.2	Very high	21 Å²	21	37.9 Å²	37.9	13%	0.127	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.4	171.6	-65.5	0	0	0	0	109.4	T211 V212 I290 N291 D293	V156-T211 HydrophobicContact CB-CG2 3.7Å; V156-T211 HydrophobicContact CG1-CG2 4.41Å; V156-T211 HydrophobicContact CG2-CG2 3.91Å; V156-V212 WeakPolarHBondContact CA-O 3.39Å; V156-I290 WeakPolarHBondContact O-CA 3.48Å; V156-N291 HydrophobicContact CG2-CB 4.31Å; V156-N291 PolarHBondContact N-O 3.34Å; V156-N291 PolarHBondContact O-N 2.98Å; V156-D293 HydrophobicContact CB-CB 4.43Å; V156-D293 HydrophobicContact CG1-CB 3.57Å; V156-D293 HydrophobicContact CG2-CB 3.97Å
157	I	94.8	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125	177.8	-173	175.9	0	0	0	109.2	L159 T211 V212 L214 L217 V249 M252 K289 I290	I157-L159 HydrophobicContact CD1-CD1 4.45Å; I157-L159 HydrophobicContact CD1-CD2 3.75Å; I157-L159 HydrophobicContact CD1-CG 4.27Å; I157-L159 HydrophobicContact CG1-CD2 3.75Å; I157-L159 HydrophobicContact CG1-CG 4.08Å; I157-T211 VanDerWaalsContact O-CA 3.3Å; I157-T211 WeakPolarHBondContact O-CA 3.49Å; I157-V212 HydrophobicContact CG2-CG2 3.59Å; I157-V212 PolarHBondContact N-O 2.89Å; I157-V212 PolarHBondContact O-N 3.38Å; I157-L214 HydrophobicContact CB-CD1 4.22Å; I157-L214 HydrophobicContact CG2-CD1 4.36Å; I157-L217 HydrophobicContact CD1-CD2 3.99Å; I157-L217 HydrophobicContact CG2-CD2 3.68Å; I157-V249 HydrophobicContact CD1-CG1 3.78Å; I157-V249 HydrophobicContact CD1-CG2 4.15Å; I157-M252 HydrophobicContact CD1-SD 4.48Å; I157-K289 WeakPolarHBondContact CA-O 3.41Å; I157-I290 HydrophobicContact CB-CG1 4.48Å; I157-I290 HydrophobicContact CG1-CG1 4.23Å
158	T	95.6	Very high	92.8	Very high	36 Å²	36	43.8 Å²	43.8	22%	0.221	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.2	175.4	-56.9	0	0	0	0	109.4	F210 T211 K289	T158-F210 CarbonylContact C-O 3.56Å; T158-F210 VanDerWaalsContact CA-O 3.3Å; T158-F210 WeakPolarHBondContact CA-O 3.48Å; T158-T211 PolarHBondContact OG1-OG1 3.48Å; T158-K289 PolarHBondContact N-O 3.23Å; T158-K289 PolarHBondContact O-N 3.22Å
159	L	96.1	Very high	92.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.9	-175.5	-59.4	178.6	0	0	0	110.7	I157 L161 F181 P209 F210 M252 L285 C288	I157-L159 HydrophobicContact CD1-CD1 4.45Å; I157-L159 HydrophobicContact CD1-CD2 3.75Å; I157-L159 HydrophobicContact CD1-CG 4.27Å; I157-L159 HydrophobicContact CG1-CD2 3.75Å; I157-L159 HydrophobicContact CG1-CG 4.08Å; L159-L161 HydrophobicContact CB-CD1 3.81Å; L159-F181 HydrophobicContact CD1-CE1 4.09Å; L159-P209 WeakPolarHBondContact O-CA 3.36Å; L159-F210 HydrophobicContact CB-CE1 4.11Å; L159-F210 HydrophobicContact CB-CE2 4.33Å; L159-F210 HydrophobicContact CB-CZ 3.95Å; L159-F210 HydrophobicContact CD1-CE2 4Å; L159-F210 HydrophobicContact CD1-CZ 3.7Å; L159-F210 HydrophobicContact CG-CE2 4.45Å; L159-F210 HydrophobicContact CG-CZ 4.31Å; L159-F210 PolarHBondContact N-O 3.29Å; L159-F210 PolarHBondContact O-N 2.94Å; L159-F210 VanDerWaalsContact O-N 3.14Å; L159-M252 HydrophobicContact CD1-CE 4.44Å; L159-M252 HydrophobicContact CD1-SD 3.93Å; L159-M252 HydrophobicContact CD2-SD 4.04Å; L159-L285 HydrophobicContact CB-CD1 4.36Å; L159-L285 HydrophobicContact CD2-CD1 4.02Å; L159-C288 HydrophobicContact CD2-CB 4.03Å
160	S	96.6	Very high	92.3	Very high	28 Å²	28	42.7 Å²	42.7	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	172.1	-178.6	0	0	0	0	109.2	R286 S287	S160-R286 PolarHBondContact O-N 2.7Å; S160-S287 PolarHBondContact N-O 3.32Å; S160-S287 PolarHBondContact O-N 3.05Å
161	L	97.5	Very high	91.7	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.5	-173.6	-58.4	104.7	0	0	0	112.6	L159 L179 F181 W207 F210 I283 I284 L285	L159-L161 HydrophobicContact CB-CD1 3.81Å; L161-L179 HydrophobicContact CB-CD1 4.41Å; L161-L179 HydrophobicContact CD2-CD1 4.1Å; L161-F181 HydrophobicContact CD1-CZ 3.95Å; L161-F181 HydrophobicContact CD2-CZ 4.05Å; L161-W207 HydrophobicContact CB-CE3 4.03Å; L161-W207 HydrophobicContact CB-CZ3 4.44Å; L161-W207 PolarHBondContact O-N 2.68Å; L161-F210 HydrophobicContact CD1-CD1 4.44Å; L161-F210 HydrophobicContact CD1-CE1 3.57Å; L161-F210 HydrophobicContact CD1-CZ 4.23Å; L161-I283 HydrophobicContact CD2-CG2 3.88Å; L161-I284 CarbonylContact C-O 3.58Å; L161-I284 VanDerWaalsContact CA-O 3.3Å; L161-I284 WeakPolarHBondContact CA-O 3.38Å; L161-L285 HydrophobicContact CD2-CD1 4.16Å; L161-L285 HydrophobicContact CG-CD1 3.92Å
162	A	98.1	Very high	91.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.1	168.4	0	0	0	0	0	110.6	P205 V206 W207 I284	A162-P205 CarbonylContact C-O 3.51Å; A162-P205 WeakPolarHBondContact CA-O 3.22Å; A162-P205 WeakPolarHBondContact CB-O 3.21Å; A162-V206 HydrophobicContact CB-CG2 4.15Å; A162-W207 VanDerWaalsContact C-CZ3 3.47Å; A162-I284 PolarHBondContact N-O 2.94Å; A162-I284 PolarHBondContact O-N 3.37Å
163	G	98.1	Very high	91.6	Very high	5 Å²	5	54.1 Å²	54.1	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	155.9	167.9	0	0	0	0	0	110.6	D204 P205 I282	G163-D204 CarbonylContact O-C 3.51Å; G163-D204 VanDerWaalsContact O-CA 3.26Å; G163-D204 WeakPolarHBondContact O-CA 2.98Å; G163-P205 PolarHBondContact N-O 2.85Å; G163-I282 CarbonylContact C-O 3.5Å; G163-I282 WeakPolarHBondContact CA-O 3.27Å
164	R	98.3	Very high	92	Very high	79 Å²	79	55.8 Å²	55.8	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	127.5	173.1	-175.3	174.7	66.3	-163.1	-0.1	110.7	L166 D204 E262 G281 I282 I284	R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 2.99Å; R164-D204 VanDerWaalsContact CA-OD1 3.29Å; R164-D204 WeakPolarHBondContact CA-OD1 3.34Å; R164-E262 IonicContact CZ-OE1 2.81Å; R164-E262 IonicContact CZ-OE2 2.66Å; R164-E262 IonicContact NH1-OE1 3.2Å; R164-E262 PolarHBondContact NH1-OE1 3.18Å; R164-E262 IonicContact NH2-OE1 3.82Å; R164-E262 PolarHBondContact NH2-OE1 3.25Å; R164-E262 IonicContact NH2-OE2 2.74Å; R164-E262 PolarHBondContact NH2-OE2 3.22Å; R164-G281 WeakPolarHBondContact O-CA 3.29Å; R164-I282 PolarHBondContact N-O 3.4Å; R164-I282 VanDerWaalsContact NH2-CD1 3.28Å; R164-I282 PolarHBondContact O-N 3.37Å; R164-I284 HydrophobicContact CB-CD1 3.84Å
165	R	97.4	Very high	92.5	Very high	172 Å²	172	54 Å²	54	65%	0.649	25%	0.25	S	C	*	.	S	Bend	trans	49.1	45.7	179.8	-60.5	-178.2	-64.6	-171.4	-2.8	112.6	L203 D204 G281	R165-L203 PolarHBondContact N-O 3.45Å; R165-L203 VanDerWaalsContact N-O 3.11Å; R165-D204 PolarHBondContact N-OD1 2.76Å; R165-G281 WeakPolarHBondContact O-CA 3.47Å
166	L	97.6	Very high	92.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.6	150.5	173.1	-63.1	-179.5	0	0	0	110.7	R164 K168 P177 L203 P205 W207 S280 I283	R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 2.99Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-P177 HydrophobicContact CD1-CB 3.62Å; L166-P177 HydrophobicContact CD1-CG 3.92Å; L166-L203 WeakPolarHBondContact CB-O 3.45Å; L166-L203 WeakPolarHBondContact CG-O 3.36Å; L166-L203 PolarHBondContact N-O 3.32Å; L166-L203 WeakPolarHBondContact O-CD2 3.39Å; L166-P205 HydrophobicContact CD1-CG 3.66Å; L166-W207 HydrophobicContact CD1-CH2 4.43Å; L166-S280 WeakPolarHBondContact CA-O 3.2Å; L166-I283 HydrophobicContact CD2-CD1 3.92Å
167	D	94.8	Very high	93	Very high	44 Å²	44	50.5 Å²	50.5	24%	0.235	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-66	129	178.2	-89.1	-4.2	0	0	0	111.2	S175 I242 K270 S280	D167-S175 PolarHBondContact O-OG 3.12Å; D167-I242 HydrophobicContact CB-CG2 4.37Å; D167-K270 IonicContact OD2-NZ 3.56Å; D167-K270 PolarHBondContact OD2-NZ 2.98Å; D167-S280 PolarHBondContact N-O 3.43Å; D167-S280 WeakPolarHBondContact OD2-CB 3.24Å; D167-S280 PolarHBondContact OD2-OG 3.36Å
168	K	93.4	Very high	93.2	Very high	111 Å²	111	50.6 Å²	50.6	48%	0.483	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-66.2	130.6	170.2	177	175.7	161.7	162.1	0	110.1	L166 D170 G173 S175 L203	L166-K168 PolarHBondContact O-N 3.3Å; K168-D170 WeakPolarHBondContact CE-O 3.26Å; K168-G173 VanDerWaalsContact CD-O 3.26Å; K168-G173 WeakPolarHBondContact CD-O 3.43Å; K168-G173 WeakPolarHBondContact CE-O 3.36Å; K168-G173 PolarHBondContact NZ-O 3.46Å; K168-S175 WeakPolarHBondContact CA-OG 3.13Å; K168-L203 HydrophobicContact CB-CD1 4.27Å; K168-L203 HydrophobicContact CB-CD2 4.07Å
169	K	90.8	Very high	93.3	Very high	47 Å²	47	48.9 Å²	48.9	20%	0.204	23%	0.226	C	C	.	.			trans	-115.2	-38	-179.9	-69.5	-42.2	-149.3	82.3	0	113.3	S175 D232 D240 F241 I242	K169-S175 PolarHBondContact N-OG 2.8Å; K169-S175 VanDerWaalsContact N-OG 3.11Å; K169-D232 HydrophobicContact CB-CB 3.95Å; K169-D232 WeakPolarHBondContact CB-OD2 3.46Å; K169-D232 HydrophobicContact CG-CB 3.98Å; K169-D240 HydrophobicContact CB-CB 4.33Å; K169-D240 HydrophobicContact CG-CB 4.33Å; K169-D240 IonicContact NZ-OD2 2.64Å; K169-D240 PolarHBondContact NZ-OD2 3.4Å; K169-F241 WeakPolarHBondContact CE-O 3.41Å; K169-F241 PolarHBondContact NZ-O 3.13Å; K169-I242 HydrophobicContact CG-CG1 4.04Å
170	D	85.1	Confident	93.4	Very high	47 Å²	47	49.3 Å²	49.3	25%	0.251	23%	0.228	S	C	.	.			trans	-65.1	140.9	174	-68.7	-53.3	0	0	0	115.2	K168 K174	K168-D170 WeakPolarHBondContact CE-O 3.26Å; D170-K174 VanDerWaalsContact OD2-O 3.05Å
171	L	78.3	Confident	93.5	Very high	153 Å²	153	48 Å²	48	80%	0.801	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-44	171.9	-89.2	108.9	0	0	0	112.3
172	F	77.3	Confident	93.5	Very high	207 Å²	207	49.5 Å²	49.5	91%	0.908	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	45.5	-174	-62.6	-73.2	0	0	0	112.9
173	G	84.6	Confident	93.4	Very high	9 Å²	9	50.9 Å²	50.9	9%	0.093	23%	0.23	C	C	.	.	S	Bend	trans	-174.9	-154.1	173.8	0	0	0	0	0	114.6	K168 Y201	K168-G173 VanDerWaalsContact CD-O 3.26Å; K168-G173 WeakPolarHBondContact CD-O 3.43Å; K168-G173 WeakPolarHBondContact CE-O 3.36Å; K168-G173 PolarHBondContact NZ-O 3.46Å; G173-Y201 VanDerWaalsContact CA-CE2 3.48Å
174	K	91.5	Very high	93.2	Very high	83 Å²	83	52.4 Å²	52.4	36%	0.361	24%	0.239	S	C	.	.			trans	-113.3	157.3	160.4	-67.2	177.4	179.7	-179.6	0	106.2	D170 Y201 L203	D170-K174 VanDerWaalsContact OD2-O 3.05Å; K174-Y201 HydrophobicContact CB-CD2 4.31Å; K174-Y201 HydrophobicContact CB-CG 4.41Å; K174-Y201 WeakPolarHBondContact CD-O 3.13Å; K174-L203 HydrophobicContact CB-CD2 4.11Å; K174-L203 HydrophobicContact CB-CG 4.29Å; K174-L203 HydrophobicContact CD-CG 4.31Å; K174-L203 HydrophobicContact CG-CG 4.25Å
175	S	94.2	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.229	C	C	.	.			trans	-55	157.9	176.2	-43.3	0	0	0	0	112.5	D167 K168 K169 P177 Y201 T202 D232	D167-S175 PolarHBondContact O-OG 3.12Å; K168-S175 WeakPolarHBondContact CA-OG 3.13Å; K169-S175 PolarHBondContact N-OG 2.8Å; K169-S175 VanDerWaalsContact N-OG 3.11Å; S175-P177 WeakPolarHBondContact O-CD 3.28Å; S175-Y201 CarbonylContact O-C 3.56Å; S175-Y201 WeakPolarHBondContact O-CA 3.16Å; S175-Y201 PolarHBondContact O-N 3.43Å; S175-T202 PolarHBondContact O-N 3.08Å; S175-D232 VanDerWaalsContact CA-OD1 3.24Å; S175-D232 WeakPolarHBondContact CA-OD1 2.87Å; S175-D232 VanDerWaalsContact CB-OD1 3.29Å; S175-D232 WeakPolarHBondContact CB-OD1 3.07Å
176	D	95.8	Very high	92.1	Very high	29 Å²	29	49.2 Å²	49.2	16%	0.155	24%	0.243	C	C	.	.			trans	-107.3	68.8	170.6	-68	-14	0	0	0	110.3	V198 I199 K200 Y201 D232 Y233	D176-V198 HydrophobicContact CB-CG1 3.82Å; D176-I199 CarbonylContact C-O 3.6Å; D176-I199 VanDerWaalsContact CA-O 3.29Å; D176-I199 WeakPolarHBondContact CA-O 3.48Å; D176-K200 WeakPolarHBondContact OD1-CA 3.01Å; D176-Y201 PolarHBondContact OD1-N 2.99Å; D176-D232 WeakPolarHBondContact CA-OD1 3.2Å; D176-D232 PolarHBondContact N-OD1 3.16Å; D176-Y233 WeakPolarHBondContact O-CB 3.28Å; D176-Y233 PolarHBondContact O-N 3.4Å
177	P	97.6	Very high	91.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	143.2	-167.4	29.2	-40.3	0	0	0	115.4	L166 S175 I199 T202 P205 W207 Y231 I242	L166-P177 HydrophobicContact CD1-CB 3.62Å; L166-P177 HydrophobicContact CD1-CG 3.92Å; S175-P177 WeakPolarHBondContact O-CD 3.28Å; P177-I199 WeakPolarHBondContact CD-O 3.41Å; P177-I199 PolarHBondContact O-N 3.38Å; P177-T202 VanDerWaalsContact CD-O 3.3Å; P177-T202 WeakPolarHBondContact CD-O 2.92Å; P177-T202 HydrophobicContact CG-CG2 4.04Å; P177-P205 HydrophobicContact CB-CG 4.15Å; P177-P205 HydrophobicContact CG-CB 3.74Å; P177-P205 HydrophobicContact CG-CG 3.52Å; P177-W207 HydrophobicContact CB-CZ2 4.14Å; P177-W207 PolarHBondContact O-NE1 3.37Å; P177-W207 VanDerWaalsContact O-NE1 3.14Å; P177-Y231 CarbonylContact C-O 3.46Å; P177-Y231 VanDerWaalsContact CA-O 3.23Å; P177-Y231 WeakPolarHBondContact CA-O 3.2Å; P177-I242 HydrophobicContact CB-CD1 4.26Å
178	F	98.3	Very high	91.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.9	166.9	69.6	-83.3	0	0	0	111.6	E180 R195 V198 C230 Y231 Y233 H239	F178-E180 HydrophobicContact CD2-CG 4.13Å; F178-E180 HydrophobicContact CE2-CG 3.78Å; F178-R195 HydrophobicContact CD2-CG 3.75Å; F178-R195 HydrophobicContact CE2-CG 4.11Å; F178-V198 HydrophobicContact CB-CG2 4.13Å; F178-V198 HydrophobicContact CD1-CG2 4.03Å; F178-V198 HydrophobicContact CG-CG2 4.25Å; F178-C230 WeakPolarHBondContact O-CA 3.46Å; F178-Y231 VanDerWaalsContact CE1-CB 3.42Å; F178-Y231 HydrophobicContact CE1-CG 4.46Å; F178-Y231 HydrophobicContact CE2-CD2 4.14Å; F178-Y231 HydrophobicContact CE2-CG 4.38Å; F178-Y231 VanDerWaalsContact CZ-CB 3.4Å; F178-Y231 HydrophobicContact CZ-CD2 4.21Å; F178-Y231 AromaticContact CZ-CG 3.99Å; F178-Y231 HydrophobicContact CZ-CG 3.99Å; F178-Y231 PolarHBondContact N-O 2.8Å; F178-Y231 PolarHBondContact O-N 3.08Å; F178-Y233 HydrophobicContact CE1-CD2 4.48Å; F178-H239 HydrophobicContact CE1-CB 4.19Å; F178-H239 HydrophobicContact CZ-CB 4.14Å; F178-H239 AromaticContact CZ-CD2 3.65Å; F178-H239 AromaticContact CZ-CG 3.94Å
179	L	98.6	Very high	91.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.6	178.3	-59	-179.9	0	0	0	111.6	L161 F181 R195 T196 W207 V228 M229 C230 I283	L161-L179 HydrophobicContact CB-CD1 4.41Å; L161-L179 HydrophobicContact CD2-CD1 4.1Å; L179-F181 HydrophobicContact CB-CE2 3.96Å; L179-F181 HydrophobicContact CD1-CE2 4.33Å; L179-F181 HydrophobicContact CD1-CZ 4.39Å; L179-R195 WeakPolarHBondContact O-CA 3.43Å; L179-T196 HydrophobicContact CB-CG2 3.94Å; L179-T196 PolarHBondContact N-OG1 3.13Å; L179-T196 PolarHBondContact O-N 3Å; L179-W207 HydrophobicContact CD1-CD2 4.36Å; L179-W207 HydrophobicContact CD1-CE3 3.88Å; L179-W207 HydrophobicContact CD1-CH2 3.85Å; L179-W207 HydrophobicContact CD1-CZ2 4.34Å; L179-W207 HydrophobicContact CD1-CZ3 3.6Å; L179-W207 HydrophobicContact CD2-CH2 3.81Å; L179-W207 HydrophobicContact CD2-CZ2 4.11Å; L179-W207 HydrophobicContact CD2-CZ3 4.4Å; L179-W207 HydrophobicContact CG-CD2 4.4Å; L179-W207 HydrophobicContact CG-CE3 4.31Å; L179-W207 HydrophobicContact CG-CH2 3.67Å; L179-W207 HydrophobicContact CG-CZ2 3.77Å; L179-W207 HydrophobicContact CG-CZ3 3.96Å; L179-V228 HydrophobicContact CB-CG1 4.45Å; L179-V228 HydrophobicContact CD1-CG1 4.48Å; L179-V228 HydrophobicContact CD2-CG1 4.4Å; L179-M229 CarbonylContact C-O 3.6Å; L179-M229 WeakPolarHBondContact CA-O 3.25Å; L179-C230 HydrophobicContact CD2-CB 3.67Å; L179-I283 HydrophobicContact CD1-CG2 4.23Å; L179-I283 HydrophobicContact CD2-CD1 3.96Å; L179-I283 HydrophobicContact CD2-CG1 4.46Å
180	E	98.4	Very high	91.4	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.2	169.2	-68.4	-172.5	147.5	0	0	110.3	F178 Y182 L192 H194 R195 V228 M229 Y231	F178-E180 HydrophobicContact CD2-CG 4.13Å; F178-E180 HydrophobicContact CE2-CG 3.78Å; E180-Y182 HydrophobicContact CB-CD2 4.14Å; E180-Y182 HydrophobicContact CB-CE2 3.38Å; E180-Y182 HydrophobicContact CG-CE2 4.43Å; E180-Y182 PolarHBondContact OE2-OH 2.71Å; E180-L192 HydrophobicContact CB-CD1 3.74Å; E180-L192 HydrophobicContact CG-CD1 3.99Å; E180-H194 WeakPolarHBondContact CA-O 3.48Å; E180-R195 HydrophobicContact CG-CB 4.36Å; E180-R195 HydrophobicContact CG-CG 4.01Å; E180-R195 IonicContact OE1-CZ 2.76Å; E180-R195 IonicContact OE1-NE 2.82Å; E180-R195 PolarHBondContact OE1-NE 3.24Å; E180-R195 IonicContact OE1-NH2 2.54Å; E180-R195 PolarHBondContact OE1-NH2 2.72Å; E180-V228 CarbonylContact O-C 3.46Å; E180-V228 WeakPolarHBondContact O-CA 2.93Å; E180-M229 PolarHBondContact N-O 2.91Å; E180-M229 PolarHBondContact O-N 3.3Å; E180-Y231 HydrophobicContact CG-CD2 4.41Å; E180-Y231 HydrophobicContact CG-CE2 4.45Å; E180-Y231 VanDerWaalsContact OE2-CE2 3.25Å; E180-Y231 WeakPolarHBondContact OE2-CE2 3.42Å
181	F	98.5	Very high	91.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.6	178.8	-69	-104.4	0	0	0	109.2	L159 L161 L179 V193 H194 T196 F210 L217 I226 V228 M252	L159-F181 HydrophobicContact CD1-CE1 4.09Å; L161-F181 HydrophobicContact CD1-CZ 3.95Å; L161-F181 HydrophobicContact CD2-CZ 4.05Å; L179-F181 HydrophobicContact CB-CE2 3.96Å; L179-F181 HydrophobicContact CD1-CE2 4.33Å; L179-F181 HydrophobicContact CD1-CZ 4.39Å; F181-V193 PolarHBondContact O-N 2.66Å; F181-H194 HydrophobicContact CB-CB 4.31Å; F181-H194 HydrophobicContact CD2-CB 4.45Å; F181-H194 PolarHBondContact N-O 2.91Å; F181-H194 PolarHBondContact O-N 2.92Å; F181-T196 HydrophobicContact CE2-CG2 4.31Å; F181-F210 AromaticContact CD2-CZ 3.94Å; F181-F210 HydrophobicContact CD2-CZ 3.94Å; F181-F210 HydrophobicContact CE1-CZ 4.13Å; F181-F210 AromaticContact CE2-CE1 3.76Å; F181-F210 HydrophobicContact CE2-CE1 3.76Å; F181-F210 AromaticContact CE2-CZ 3.5Å; F181-F210 HydrophobicContact CE2-CZ 3.5Å; F181-F210 HydrophobicContact CG-CZ 4.44Å; F181-F210 AromaticContact CZ-CE1 3.98Å; F181-F210 HydrophobicContact CZ-CE1 3.98Å; F181-F210 AromaticContact CZ-CZ 3.62Å; F181-F210 HydrophobicContact CZ-CZ 3.62Å; F181-L217 HydrophobicContact CB-CD1 4.24Å; F181-L217 HydrophobicContact CD1-CD1 4.43Å; F181-I226 HydrophobicContact CD1-CG2 4.23Å; F181-V228 HydrophobicContact CD1-CG1 4.47Å; F181-V228 HydrophobicContact CD1-CG2 3.64Å; F181-V228 HydrophobicContact CE1-CG1 4.19Å; F181-V228 HydrophobicContact CE1-CG2 3.66Å; F181-V228 HydrophobicContact CE2-CG1 4.38Å; F181-V228 HydrophobicContact CG-CG2 4.39Å; F181-V228 HydrophobicContact CZ-CG1 4.13Å; F181-V228 HydrophobicContact CZ-CG2 4.42Å; F181-M252 HydrophobicContact CD1-CE 4.4Å; F181-M252 HydrophobicContact CE1-CE 4.08Å
182	Y	98	Very high	92.8	Very high	38 Å²	38	56.6 Å²	56.6	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.5	-176.8	-67.6	-94	0	0	0	111.4	E180 W190 M191 L192 I226 Q227 M229	E180-Y182 HydrophobicContact CB-CD2 4.14Å; E180-Y182 HydrophobicContact CB-CE2 3.38Å; E180-Y182 HydrophobicContact CG-CE2 4.43Å; E180-Y182 PolarHBondContact OE2-OH 2.71Å; Y182-W190 HydrophobicContact CD1-CB 3.96Å; Y182-W190 HydrophobicContact CG-CB 4.3Å; Y182-M191 VanDerWaalsContact CA-O 3.24Å; Y182-M191 WeakPolarHBondContact CA-O 3.38Å; Y182-L192 HydrophobicContact CD1-CB 4.12Å; Y182-L192 HydrophobicContact CD1-CD1 4.49Å; Y182-L192 HydrophobicContact CE1-CB 3.73Å; Y182-L192 HydrophobicContact CE1-CD1 4.01Å; Y182-L192 HydrophobicContact CE1-CG 4.47Å; Y182-L192 HydrophobicContact CE2-CD1 4.11Å; Y182-I226 WeakPolarHBondContact O-CA 3.49Å; Y182-Q227 PolarHBondContact N-O 3.26Å; Y182-Q227 PolarHBondContact O-N 3.11Å; Y182-M229 HydrophobicContact CD2-CG 4.16Å; Y182-M229 HydrophobicContact CD2-SD 4.14Å; Y182-M229 HydrophobicContact CE2-CB 4.29Å; Y182-M229 HydrophobicContact CE2-CG 4.04Å; Y182-M229 HydrophobicContact CE2-SD 3.75Å
183	K	95.4	Very high	93.7	Very high	29 Å²	29	48.4 Å²	48.4	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.4	168.7	73.5	165.1	170.6	178.1	0	111.3	G185 W190 M191 V193 V215 S216 L217 D219	K183-G185 PolarHBondContact O-N 2.81Å; K183-W190 VanDerWaalsContact C-CE3 3.44Å; K183-W190 CarbonylContact O-C 3.52Å; K183-W190 WeakPolarHBondContact O-CA 3.41Å; K183-M191 HydrophobicContact CD-CE 4.25Å; K183-M191 HydrophobicContact CG-CB 4.4Å; K183-M191 HydrophobicContact CG-CE 4.1Å; K183-M191 PolarHBondContact N-O 2.87Å; K183-M191 PolarHBondContact O-N 3.22Å; K183-V193 HydrophobicContact CB-CG2 3.94Å; K183-V193 HydrophobicContact CD-CG2 4.26Å; K183-V193 HydrophobicContact CG-CG2 3.71Å; K183-V215 PolarHBondContact NZ-O 2.87Å; K183-S216 VanDerWaalsContact CD-O 3.23Å; K183-S216 WeakPolarHBondContact CD-O 3.38Å; K183-S216 VanDerWaalsContact CE-O 3.27Å; K183-S216 WeakPolarHBondContact CE-O 3.47Å; K183-S216 PolarHBondContact NZ-O 3.23Å; K183-L217 WeakPolarHBondContact CB-O 3.48Å; K183-D219 IonicContact NZ-OD1 2.91Å; K183-D219 PolarHBondContact NZ-OD1 3.35Å
184	P	92.7	Very high	94.3	Very high	37 Å²	37	50.1 Å²	50.1	24%	0.24	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.2	169.5	28.5	-33.4	0	0	0	109.8	P225	P184-P225 VanDerWaalsContact CD-O 3.22Å; P184-P225 WeakPolarHBondContact CD-O 3.33Å; P184-P225 HydrophobicContact CG-CG 4.43Å
185	G	88.3	Confident	94.7	Very high	8 Å²	8	52.1 Å²	52.1	8%	0.082	27%	0.267	C	S	.	.			trans	-85.3	169	168.4	0	0	0	0	0	112.2	K183 D187 G188 K189 M191	K183-G185 PolarHBondContact O-N 2.81Å; G185-D187 PolarHBondContact O-N 3.06Å; G185-G188 WeakPolarHBondContact O-CA 3.44Å; G185-G188 PolarHBondContact O-N 3.44Å; G185-K189 PolarHBondContact N-O 3.06Å; G185-M191 VanDerWaalsContact CA-CE 3.45Å
186	D	86.1	Confident	94.9	Very high	176 Å²	176	52.5 Å²	52.5	94%	0.941	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.5	-178.9	-61	-28.9	0	0	0	112.8	G188	D186-G188 PolarHBondContact O-N 2.88Å
187	D	89.6	Confident	95	Very high	99 Å²	99	54 Å²	54	53%	0.529	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.3	175.2	75.3	-19.2	0	0	0	113.4	G185 K189	G185-D187 PolarHBondContact O-N 3.06Å; D187-K189 PolarHBondContact O-N 3Å; D187-K189 VanDerWaalsContact OD1-CB 3.28Å; D187-K189 WeakPolarHBondContact OD1-CB 3.4Å; D187-K189 PolarHBondContact OD1-N 2.85Å; D187-K189 WeakPolarHBondContact OD2-CD 3.4Å; D187-K189 WeakPolarHBondContact OD2-CG 3.37Å; D187-K189 IonicContact OD2-NZ 3.13Å; D187-K189 PolarHBondContact OD2-NZ 2.97Å
188	G	85.5	Confident	95	Very high	61 Å²	61	56.4 Å²	56.4	63%	0.629	29%	0.29	S	S	*	.	S	Bend	trans	75.6	3	-176.8	0	0	0	0	0	114.5	G185 D186	G185-G188 WeakPolarHBondContact O-CA 3.44Å; G185-G188 PolarHBondContact O-N 3.44Å; D186-G188 PolarHBondContact O-N 2.88Å
189	K	92.1	Very high	94.9	Very high	137 Å²	137	58.4 Å²	58.4	60%	0.596	30%	0.3	S	S	*	.			trans	-85.1	150.9	174.6	-61.1	-165.9	-165	102.6	0	111.3	G185 D187	G185-K189 PolarHBondContact N-O 3.06Å; D187-K189 PolarHBondContact O-N 3Å; D187-K189 VanDerWaalsContact OD1-CB 3.28Å; D187-K189 WeakPolarHBondContact OD1-CB 3.4Å; D187-K189 PolarHBondContact OD1-N 2.85Å; D187-K189 WeakPolarHBondContact OD2-CD 3.4Å; D187-K189 WeakPolarHBondContact OD2-CG 3.37Å; D187-K189 IonicContact OD2-NZ 3.13Å; D187-K189 PolarHBondContact OD2-NZ 2.97Å
190	W	94.7	Very high	94.7	Very high	97 Å²	97	65.4 Å²	65.4	37%	0.367	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.1	173	-67.5	104.2	0	0	0	110.7	Y182 K183 P225 Q227	Y182-W190 HydrophobicContact CD1-CB 3.96Å; Y182-W190 HydrophobicContact CG-CB 4.3Å; K183-W190 VanDerWaalsContact C-CE3 3.44Å; K183-W190 CarbonylContact O-C 3.52Å; K183-W190 WeakPolarHBondContact O-CA 3.41Å; W190-P225 HydrophobicContact CH2-CB 4.41Å; W190-P225 HydrophobicContact CH2-CG 4.47Å; W190-Q227 VanDerWaalsContact CD1-OE1 3.26Å; W190-Q227 HydrophobicContact CD2-CB 4.12Å; W190-Q227 HydrophobicContact CE3-CB 3.81Å; W190-Q227 HydrophobicContact CH2-CB 3.86Å; W190-Q227 HydrophobicContact CZ2-CB 4.16Å; W190-Q227 HydrophobicContact CZ3-CB 3.66Å
191	M	95.6	Very high	94.6	Very high	83 Å²	83	72.2 Å²	72.2	41%	0.409	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.1	178	-60.3	-169.7	-55.4	0	0	109.5	Y182 K183 G185 V193	Y182-M191 VanDerWaalsContact CA-O 3.24Å; Y182-M191 WeakPolarHBondContact CA-O 3.38Å; K183-M191 HydrophobicContact CD-CE 4.25Å; K183-M191 HydrophobicContact CG-CB 4.4Å; K183-M191 HydrophobicContact CG-CE 4.1Å; K183-M191 PolarHBondContact N-O 2.87Å; K183-M191 PolarHBondContact O-N 3.22Å; G185-M191 VanDerWaalsContact CA-CE 3.45Å; M191-V193 PolarHBondContact O-N 2.88Å
192	L	96.3	Very high	94.5	Very high	84 Å²	84	73.4 Å²	73.4	44%	0.44	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	124.7	178	-179.8	67.8	0	0	0	109.6	E180 Y182	E180-L192 HydrophobicContact CB-CD1 3.74Å; E180-L192 HydrophobicContact CG-CD1 3.99Å; Y182-L192 HydrophobicContact CD1-CB 4.12Å; Y182-L192 HydrophobicContact CD1-CD1 4.49Å; Y182-L192 HydrophobicContact CE1-CB 3.73Å; Y182-L192 HydrophobicContact CE1-CD1 4.01Å; Y182-L192 HydrophobicContact CE1-CG 4.47Å; Y182-L192 HydrophobicContact CE2-CD1 4.11Å
193	V	96.3	Very high	94.4	Very high	35 Å²	35	73.2 Å²	73.2	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-45.6	178	-179.6	0	0	0	0	110.7	F181 K183 M191 S216 L217	F181-V193 PolarHBondContact O-N 2.66Å; K183-V193 HydrophobicContact CB-CG2 3.94Å; K183-V193 HydrophobicContact CD-CG2 4.26Å; K183-V193 HydrophobicContact CG-CG2 3.71Å; M191-V193 PolarHBondContact O-N 2.88Å; V193-S216 WeakPolarHBondContact CG1-O 3.42Å; V193-S216 VanDerWaalsContact CG2-O 3.23Å; V193-S216 WeakPolarHBondContact CG2-O 3.12Å; V193-L217 HydrophobicContact CB-CD1 4.38Å; V193-L217 HydrophobicContact CG1-CB 4.4Å; V193-L217 HydrophobicContact CG1-CD1 4.09Å
194	H	97.9	Very high	94.6	Very high	44 Å²	44	75.6 Å²	75.6	20%	0.204	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147.4	-174.4	-173.1	72.3	0	0	0	111.5	E180 F181 F210 V212	E180-H194 WeakPolarHBondContact CA-O 3.48Å; F181-H194 HydrophobicContact CB-CB 4.31Å; F181-H194 HydrophobicContact CD2-CB 4.45Å; F181-H194 PolarHBondContact N-O 2.91Å; F181-H194 PolarHBondContact O-N 2.92Å; H194-F210 HydrophobicContact CB-CE2 4.36Å; H194-F210 AromaticContact CD2-CD1 3.8Å; H194-F210 AromaticContact CD2-CD2 3.47Å; H194-F210 VanDerWaalsContact CD2-CD2 3.47Å; H194-F210 WeakPolarHBondContact CD2-CD2 3.25Å; H194-F210 AromaticContact CD2-CE1 3.79Å; H194-F210 AromaticContact CD2-CE2 3.48Å; H194-F210 VanDerWaalsContact CD2-CE2 3.48Å; H194-F210 WeakPolarHBondContact CD2-CE2 3.32Å; H194-F210 AromaticContact CD2-CG 3.63Å; H194-F210 AromaticContact CD2-CZ 3.63Å; H194-F210 AromaticContact CE1-CD2 3.87Å; H194-F210 AromaticContact CE1-CG 3.83Å; H194-F210 AromaticContact CG-CD2 3.87Å; H194-F210 AromaticContact CG-CE2 3.87Å; H194-F210 AromaticContact NE2-CD1 3.55Å; H194-F210 AromaticContact NE2-CD2 3.5Å; H194-F210 AromaticContact NE2-CG 3.24Å; H194-F210 WeakPolarHBondContact NE2-CG 3.34Å; H194-V212 HydrophobicContact CB-CG1 4.11Å
195	R	98	Very high	94.8	Very high	125 Å²	125	73.9 Å²	73.9	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.1	171.6	-176	-173.2	-71.3	170.9	-3.9	108.9	F178 L179 E180	F178-R195 HydrophobicContact CD2-CG 3.75Å; F178-R195 HydrophobicContact CE2-CG 4.11Å; L179-R195 WeakPolarHBondContact O-CA 3.43Å; E180-R195 HydrophobicContact CG-CB 4.36Å; E180-R195 HydrophobicContact CG-CG 4.01Å; E180-R195 IonicContact OE1-CZ 2.76Å; E180-R195 IonicContact OE1-NE 2.82Å; E180-R195 PolarHBondContact OE1-NE 3.24Å; E180-R195 IonicContact OE1-NH2 2.54Å; E180-R195 PolarHBondContact OE1-NH2 2.72Å
196	T	98.5	Very high	95.3	Very high	8 Å²	8	77 Å²	77	5%	0.049	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-73.9	171	175.7	66.1	0	0	0	0	111.3	L179 F181 W207 F210	L179-T196 HydrophobicContact CB-CG2 3.94Å; L179-T196 PolarHBondContact N-OG1 3.13Å; L179-T196 PolarHBondContact O-N 3Å; F181-T196 HydrophobicContact CE2-CG2 4.31Å; T196-W207 HydrophobicContact CG2-CB 4.43Å; T196-W207 HydrophobicContact CG2-CG 4.35Å; T196-W207 PolarHBondContact OG1-NE1 2.78Å; T196-F210 HydrophobicContact CG2-CD1 4.24Å; T196-F210 HydrophobicContact CG2-CE1 4.05Å
197	E	97.8	Very high	95.9	Very high	62 Å²	62	68.9 Å²	68.9	29%	0.29	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-66	160.2	166.5	78.6	-81.5	-157.8	0	0	112.1	I199 W207 K208	E197-I199 HydrophobicContact CG-CD1 3.65Å; E197-I199 HydrophobicContact CG-CG1 4.49Å; E197-W207 PolarHBondContact O-NE1 2.79Å; E197-W207 WeakPolarHBondContact OE1-CA 3.07Å; E197-K208 WeakPolarHBondContact OE1-CB 3.27Å; E197-K208 VanDerWaalsContact OE1-CG 3.31Å; E197-K208 WeakPolarHBondContact OE1-CG 3.03Å; E197-K208 PolarHBondContact OE1-N 3.26Å
198	V	97.8	Very high	96.3	Very high	50 Å²	50	71.4 Å²	71.4	30%	0.303	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-84.7	125.5	171.7	177.3	0	0	0	0	109.1	D176 F178 K200 Y233	D176-V198 HydrophobicContact CB-CG1 3.82Å; F178-V198 HydrophobicContact CB-CG2 4.13Å; F178-V198 HydrophobicContact CD1-CG2 4.03Å; F178-V198 HydrophobicContact CG-CG2 4.25Å; V198-K200 HydrophobicContact CG1-CG 4.49Å; V198-Y233 HydrophobicContact CG1-CD1 4.36Å; V198-Y233 HydrophobicContact CG1-CG 4.02Å; V198-Y233 HydrophobicContact CG2-CD2 3.86Å; V198-Y233 HydrophobicContact CG2-CG 3.92Å
199	I	97.4	Very high	96.8	Very high	43 Å²	43	72.5 Å²	72.5	22%	0.221	35%	0.345	C	S	.	.			trans	-103.4	113.2	173.7	-53.2	-61.4	0	0	0	108.8	D176 P177 E197 T202 P205 W207	D176-I199 CarbonylContact C-O 3.6Å; D176-I199 VanDerWaalsContact CA-O 3.29Å; D176-I199 WeakPolarHBondContact CA-O 3.48Å; P177-I199 WeakPolarHBondContact CD-O 3.41Å; P177-I199 PolarHBondContact O-N 3.38Å; E197-I199 HydrophobicContact CG-CD1 3.65Å; E197-I199 HydrophobicContact CG-CG1 4.49Å; I199-T202 HydrophobicContact CB-CG2 4.1Å; I199-T202 HydrophobicContact CG2-CG2 3.54Å; I199-P205 HydrophobicContact CB-CB 3.98Å; I199-P205 HydrophobicContact CG1-CB 4.07Å; I199-P205 HydrophobicContact CG2-CB 4.27Å; I199-W207 HydrophobicContact CG1-CG 4.38Å
200	K	94.9	Very high	97.1	Very high	148 Å²	148	66.9 Å²	66.9	64%	0.643	32%	0.32	S	S	*	.			trans	-75.1	145.5	-173.3	-61.3	-170.6	176.6	-171	0	113.5	D176 V198 T202	D176-K200 WeakPolarHBondContact OD1-CA 3.01Å; V198-K200 HydrophobicContact CG1-CG 4.49Å; K200-T202 PolarHBondContact O-N 2.82Å
201	Y	94.6	Very high	97.1	Very high	153 Å²	153	66 Å²	66	60%	0.6	33%	0.325	S	S	*	.	S	Bend	trans	57.5	48.2	165.2	-160.8	-104.2	0	0	0	113.9	G173 K174 S175 D176	G173-Y201 VanDerWaalsContact CA-CE2 3.48Å; K174-Y201 HydrophobicContact CB-CD2 4.31Å; K174-Y201 HydrophobicContact CB-CG 4.41Å; K174-Y201 WeakPolarHBondContact CD-O 3.13Å; S175-Y201 CarbonylContact O-C 3.56Å; S175-Y201 WeakPolarHBondContact O-CA 3.16Å; S175-Y201 PolarHBondContact O-N 3.43Å; D176-Y201 PolarHBondContact OD1-N 2.99Å
202	T	96.7	Very high	97.1	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.147	31%	0.31	C	S	.	.			trans	-147.8	148.9	-179.2	-168.9	0	0	0	0	113.7	S175 P177 I199 K200 D204 P205	S175-T202 PolarHBondContact O-N 3.08Å; P177-T202 VanDerWaalsContact CD-O 3.3Å; P177-T202 WeakPolarHBondContact CD-O 2.92Å; P177-T202 HydrophobicContact CG-CG2 4.04Å; I199-T202 HydrophobicContact CB-CG2 4.1Å; I199-T202 HydrophobicContact CG2-CG2 3.54Å; K200-T202 PolarHBondContact O-N 2.82Å; T202-D204 PolarHBondContact OG1-N 3.19Å; T202-D204 VanDerWaalsContact OG1-N 3.07Å; T202-P205 HydrophobicContact CG2-CB 3.78Å
203	L	96.8	Very high	96.9	Very high	35 Å²	35	61.5 Å²	61.5	18%	0.183	31%	0.307	C	S	.	.	S	Bend	trans	-106.3	-1.6	168.7	-53.2	-177.7	0	0	0	111.6	R165 L166 K168 K174 P205	R165-L203 PolarHBondContact N-O 3.45Å; R165-L203 VanDerWaalsContact N-O 3.11Å; L166-L203 WeakPolarHBondContact CB-O 3.45Å; L166-L203 WeakPolarHBondContact CG-O 3.36Å; L166-L203 PolarHBondContact N-O 3.32Å; L166-L203 WeakPolarHBondContact O-CD2 3.39Å; K168-L203 HydrophobicContact CB-CD1 4.27Å; K168-L203 HydrophobicContact CB-CD2 4.07Å; K174-L203 HydrophobicContact CB-CD2 4.11Å; K174-L203 HydrophobicContact CB-CG 4.29Å; K174-L203 HydrophobicContact CD-CG 4.31Å; K174-L203 HydrophobicContact CG-CG 4.25Å; L203-P205 VanDerWaalsContact C-CD 3.41Å
204	D	98.3	Very high	96.7	Very high	78 Å²	78	59.8 Å²	59.8	42%	0.417	30%	0.297	S	S	.	.	S	Bend	trans	-131	59	-177.6	-54.7	-80.5	0	0	0	109.2	G163 R164 R165 T202	G163-D204 CarbonylContact O-C 3.51Å; G163-D204 VanDerWaalsContact O-CA 3.26Å; G163-D204 WeakPolarHBondContact O-CA 2.98Å; R164-D204 VanDerWaalsContact CA-OD1 3.29Å; R164-D204 WeakPolarHBondContact CA-OD1 3.34Å; R165-D204 PolarHBondContact N-OD1 2.76Å; T202-D204 PolarHBondContact OG1-N 3.19Å; T202-D204 VanDerWaalsContact OG1-N 3.07Å
205	P	98.2	Very high	96.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	30%	0.304	C	S	.	.			trans	-65.9	150.8	-176.2	29.4	-37.7	0	0	0	112	A162 G163 L166 P177 I199 T202 L203 W207	A162-P205 CarbonylContact C-O 3.51Å; A162-P205 WeakPolarHBondContact CA-O 3.22Å; A162-P205 WeakPolarHBondContact CB-O 3.21Å; G163-P205 PolarHBondContact N-O 2.85Å; L166-P205 HydrophobicContact CD1-CG 3.66Å; P177-P205 HydrophobicContact CB-CG 4.15Å; P177-P205 HydrophobicContact CG-CB 3.74Å; P177-P205 HydrophobicContact CG-CG 3.52Å; I199-P205 HydrophobicContact CB-CB 3.98Å; I199-P205 HydrophobicContact CG1-CB 4.07Å; I199-P205 HydrophobicContact CG2-CB 4.27Å; T202-P205 HydrophobicContact CG2-CB 3.78Å; L203-P205 VanDerWaalsContact C-CD 3.41Å; P205-W207 HydrophobicContact CB-CD2 4.32Å; P205-W207 HydrophobicContact CB-CH2 4.22Å; P205-W207 HydrophobicContact CB-CZ2 3.84Å; P205-W207 HydrophobicContact CG-CD2 4.48Å; P205-W207 HydrophobicContact CG-CE3 4.47Å; P205-W207 HydrophobicContact CG-CH2 3.38Å; P205-W207 HydrophobicContact CG-CZ2 3.35Å; P205-W207 HydrophobicContact CG-CZ3 3.96Å
206	V	98.2	Very high	96.1	Very high	75 Å²	75	56.7 Å²	56.7	46%	0.455	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-123.7	109.3	164.8	-178.3	0	0	0	0	106.1	A162	A162-V206 HydrophobicContact CB-CG2 4.15Å
207	W	98.4	Very high	95.9	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.015	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-83.3	153.1	178.3	-60.1	-80.3	0	0	0	110.2	L161 A162 L166 P177 L179 T196 E197 I199 P205 I283	L161-W207 HydrophobicContact CB-CE3 4.03Å; L161-W207 HydrophobicContact CB-CZ3 4.44Å; L161-W207 PolarHBondContact O-N 2.68Å; A162-W207 VanDerWaalsContact C-CZ3 3.47Å; L166-W207 HydrophobicContact CD1-CH2 4.43Å; P177-W207 HydrophobicContact CB-CZ2 4.14Å; P177-W207 PolarHBondContact O-NE1 3.37Å; P177-W207 VanDerWaalsContact O-NE1 3.14Å; L179-W207 HydrophobicContact CD1-CD2 4.36Å; L179-W207 HydrophobicContact CD1-CE3 3.88Å; L179-W207 HydrophobicContact CD1-CH2 3.85Å; L179-W207 HydrophobicContact CD1-CZ2 4.34Å; L179-W207 HydrophobicContact CD1-CZ3 3.6Å; L179-W207 HydrophobicContact CD2-CH2 3.81Å; L179-W207 HydrophobicContact CD2-CZ2 4.11Å; L179-W207 HydrophobicContact CD2-CZ3 4.4Å; L179-W207 HydrophobicContact CG-CD2 4.4Å; L179-W207 HydrophobicContact CG-CE3 4.31Å; L179-W207 HydrophobicContact CG-CH2 3.67Å; L179-W207 HydrophobicContact CG-CZ2 3.77Å; L179-W207 HydrophobicContact CG-CZ3 3.96Å; T196-W207 HydrophobicContact CG2-CB 4.43Å; T196-W207 HydrophobicContact CG2-CG 4.35Å; T196-W207 PolarHBondContact OG1-NE1 2.78Å; E197-W207 PolarHBondContact O-NE1 2.79Å; E197-W207 WeakPolarHBondContact OE1-CA 3.07Å; I199-W207 HydrophobicContact CG1-CG 4.38Å; P205-W207 HydrophobicContact CB-CD2 4.32Å; P205-W207 HydrophobicContact CB-CH2 4.22Å; P205-W207 HydrophobicContact CB-CZ2 3.84Å; P205-W207 HydrophobicContact CG-CD2 4.48Å; P205-W207 HydrophobicContact CG-CE3 4.47Å; P205-W207 HydrophobicContact CG-CH2 3.38Å; P205-W207 HydrophobicContact CG-CZ2 3.35Å; P205-W207 HydrophobicContact CG-CZ3 3.96Å; W207-I283 HydrophobicContact CH2-CD1 3.91Å; W207-I283 HydrophobicContact CZ3-CD1 4.23Å
208	K	98	Very high	95.7	Very high	152 Å²	152	53.5 Å²	53.5	66%	0.661	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-60.8	140.3	171.8	-74.3	173.5	-176.8	-179.8	0	109.1	E197 F210	E197-K208 WeakPolarHBondContact OE1-CB 3.27Å; E197-K208 VanDerWaalsContact OE1-CG 3.31Å; E197-K208 WeakPolarHBondContact OE1-CG 3.03Å; E197-K208 PolarHBondContact OE1-N 3.26Å; K208-F210 PolarHBondContact O-N 2.83Å
209	P	97.1	Very high	95.2	Very high	84 Å²	84	54 Å²	54	55%	0.545	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-56.5	142.3	169	-22.5	33.2	0	0	0	110.7	L159	L159-P209 WeakPolarHBondContact O-CA 3.36Å
210	F	97	Very high	94.6	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.9	176.3	68.6	-95.8	0	0	0	110.6	T158 L159 L161 F181 H194 T196 K208 V212	T158-F210 CarbonylContact C-O 3.56Å; T158-F210 VanDerWaalsContact CA-O 3.3Å; T158-F210 WeakPolarHBondContact CA-O 3.48Å; L159-F210 HydrophobicContact CB-CE1 4.11Å; L159-F210 HydrophobicContact CB-CE2 4.33Å; L159-F210 HydrophobicContact CB-CZ 3.95Å; L159-F210 HydrophobicContact CD1-CE2 4Å; L159-F210 HydrophobicContact CD1-CZ 3.7Å; L159-F210 HydrophobicContact CG-CE2 4.45Å; L159-F210 HydrophobicContact CG-CZ 4.31Å; L159-F210 PolarHBondContact N-O 3.29Å; L159-F210 PolarHBondContact O-N 2.94Å; L159-F210 VanDerWaalsContact O-N 3.14Å; L161-F210 HydrophobicContact CD1-CD1 4.44Å; L161-F210 HydrophobicContact CD1-CE1 3.57Å; L161-F210 HydrophobicContact CD1-CZ 4.23Å; F181-F210 AromaticContact CD2-CZ 3.94Å; F181-F210 HydrophobicContact CD2-CZ 3.94Å; F181-F210 HydrophobicContact CE1-CZ 4.13Å; F181-F210 AromaticContact CE2-CE1 3.76Å; F181-F210 HydrophobicContact CE2-CE1 3.76Å; F181-F210 AromaticContact CE2-CZ 3.5Å; F181-F210 HydrophobicContact CE2-CZ 3.5Å; F181-F210 HydrophobicContact CG-CZ 4.44Å; F181-F210 AromaticContact CZ-CE1 3.98Å; F181-F210 HydrophobicContact CZ-CE1 3.98Å; F181-F210 AromaticContact CZ-CZ 3.62Å; F181-F210 HydrophobicContact CZ-CZ 3.62Å; H194-F210 HydrophobicContact CB-CE2 4.36Å; H194-F210 AromaticContact CD2-CD1 3.8Å; H194-F210 AromaticContact CD2-CD2 3.47Å; H194-F210 VanDerWaalsContact CD2-CD2 3.47Å; H194-F210 WeakPolarHBondContact CD2-CD2 3.25Å; H194-F210 AromaticContact CD2-CE1 3.79Å; H194-F210 AromaticContact CD2-CE2 3.48Å; H194-F210 VanDerWaalsContact CD2-CE2 3.48Å; H194-F210 WeakPolarHBondContact CD2-CE2 3.32Å; H194-F210 AromaticContact CD2-CG 3.63Å; H194-F210 AromaticContact CD2-CZ 3.63Å; H194-F210 AromaticContact CE1-CD2 3.87Å; H194-F210 AromaticContact CE1-CG 3.83Å; H194-F210 AromaticContact CG-CD2 3.87Å; H194-F210 AromaticContact CG-CE2 3.87Å; H194-F210 AromaticContact NE2-CD1 3.55Å; H194-F210 AromaticContact NE2-CD2 3.5Å; H194-F210 AromaticContact NE2-CG 3.24Å; H194-F210 WeakPolarHBondContact NE2-CG 3.34Å; T196-F210 HydrophobicContact CG2-CD1 4.24Å; T196-F210 HydrophobicContact CG2-CE1 4.05Å; K208-F210 PolarHBondContact O-N 2.83Å; F210-V212 HydrophobicContact CD2-CG1 4.08Å; F210-V212 HydrophobicContact CE2-CG1 4.31Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å
211	T	95.6	Very high	94.4	Very high	78 Å²	78	49.4 Å²	49.4	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.7	179.1	-56.1	0	0	0	0	109.1	V156 I157 T158	V156-T211 HydrophobicContact CB-CG2 3.7Å; V156-T211 HydrophobicContact CG1-CG2 4.41Å; V156-T211 HydrophobicContact CG2-CG2 3.91Å; I157-T211 VanDerWaalsContact O-CA 3.3Å; I157-T211 WeakPolarHBondContact O-CA 3.49Å; T158-T211 PolarHBondContact OG1-OG1 3.48Å
212	V	94.8	Very high	94.4	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.1	174	-67.5	0	0	0	0	110.7	V156 I157 H194 F210 L214 L217	V156-V212 WeakPolarHBondContact CA-O 3.39Å; I157-V212 HydrophobicContact CG2-CG2 3.59Å; I157-V212 PolarHBondContact N-O 2.89Å; I157-V212 PolarHBondContact O-N 3.38Å; H194-V212 HydrophobicContact CB-CG1 4.11Å; F210-V212 HydrophobicContact CD2-CG1 4.08Å; F210-V212 HydrophobicContact CE2-CG1 4.31Å; F210-V212 HydrophobicContact CE2-CG2 4.35Å; V212-L214 PolarHBondContact O-N 3.06Å; V212-L217 HydrophobicContact CG2-CB 4.21Å; V212-L217 HydrophobicContact CG2-CD2 4.4Å
213	P	93.4	Very high	94.4	Very high	59 Å²	59	49.7 Å²	49.7	38%	0.383	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.3	170	-20.6	32.2	0	0	0	110.8	V215 S216 L217	P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 HydrophobicContact CB-CG2 3.98Å; P213-V215 PolarHBondContact O-N 3.19Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.45Å; P213-L217 PolarHBondContact O-N 3.34Å
214	L	92.7	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-38.7	-179	-171.4	71.2	0	0	0	111	R155 I157 V212 S216 L217 C218 V249	R155-L214 HydrophobicContact CB-CB 3.94Å; R155-L214 HydrophobicContact CB-CD2 3.84Å; R155-L214 VanDerWaalsContact O-CB 3.29Å; R155-L214 WeakPolarHBondContact O-CB 3.25Å; R155-L214 PolarHBondContact O-N 3.21Å; I157-L214 HydrophobicContact CB-CD1 4.22Å; I157-L214 HydrophobicContact CG2-CD1 4.36Å; V212-L214 PolarHBondContact O-N 3.06Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 2.78Å; L214-L217 VanDerWaalsContact O-N 3.12Å; L214-C218 PolarHBondContact O-N 3.12Å; L214-C218 PolarHBondContact O-SG 3.48Å; L214-C218 VanDerWaalsContact O-SG 3.4Å; L214-V249 HydrophobicContact CD1-CG1 4.01Å; L214-V249 HydrophobicContact CD1-CG2 3.98Å
215	V	91.1	Very high	94.1	Very high	56 Å²	56	50.1 Å²	50.1	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-34.3	173	-66.6	0	0	0	0	113.4	D153 K183 P213 L217 D219	D153-V215 HydrophobicContact CB-CG1 3.59Å; K183-V215 PolarHBondContact NZ-O 2.87Å; P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 HydrophobicContact CB-CG2 3.98Å; P213-V215 PolarHBondContact O-N 3.19Å; V215-L217 VanDerWaalsContact C-N 3.32Å; V215-D219 VanDerWaalsContact O-CA 3.24Å; V215-D219 WeakPolarHBondContact O-CA 3.46Å; V215-D219 PolarHBondContact O-N 2.94Å
216	S	91.9	Very high	94.1	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-69.6	-34.4	176.1	-59.6	0	0	0	0	111.3	K183 V193 P213 L214	K183-S216 VanDerWaalsContact CD-O 3.23Å; K183-S216 WeakPolarHBondContact CD-O 3.38Å; K183-S216 VanDerWaalsContact CE-O 3.27Å; K183-S216 WeakPolarHBondContact CE-O 3.47Å; K183-S216 PolarHBondContact NZ-O 3.23Å; V193-S216 WeakPolarHBondContact CG1-O 3.42Å; V193-S216 VanDerWaalsContact CG2-O 3.23Å; V193-S216 WeakPolarHBondContact CG2-O 3.12Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.45Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.15Å
217	L	93.6	Very high	94.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-83.1	-38.3	-177.9	-170.8	64.9	0	0	0	113.7	I157 F181 K183 V193 V212 P213 L214 V215 I226 V249	I157-L217 HydrophobicContact CD1-CD2 3.99Å; I157-L217 HydrophobicContact CG2-CD2 3.68Å; F181-L217 HydrophobicContact CB-CD1 4.24Å; F181-L217 HydrophobicContact CD1-CD1 4.43Å; K183-L217 WeakPolarHBondContact CB-O 3.48Å; V193-L217 HydrophobicContact CB-CD1 4.38Å; V193-L217 HydrophobicContact CG1-CB 4.4Å; V193-L217 HydrophobicContact CG1-CD1 4.09Å; V212-L217 HydrophobicContact CG2-CB 4.21Å; V212-L217 HydrophobicContact CG2-CD2 4.4Å; P213-L217 PolarHBondContact O-N 3.34Å; L214-L217 PolarHBondContact O-N 2.78Å; L214-L217 VanDerWaalsContact O-N 3.12Å; V215-L217 VanDerWaalsContact C-N 3.32Å; L217-I226 HydrophobicContact CD1-CD1 4.2Å; L217-I226 HydrophobicContact CD1-CG1 4.47Å; L217-I226 HydrophobicContact CD1-CG2 4.17Å; L217-I226 HydrophobicContact CD2-CD1 3.82Å; L217-I226 HydrophobicContact CG-CD1 3.67Å; L217-I226 HydrophobicContact CG-CG1 4.26Å; L217-V249 HydrophobicContact CD2-CG2 4.17Å
218	C	92.6	Very high	94.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-148.9	20.9	-172.1	71.4	0	0	0	0	114.2	L214 G220 D221 K224 I226 V249	L214-C218 PolarHBondContact O-N 3.12Å; L214-C218 PolarHBondContact O-SG 3.48Å; L214-C218 VanDerWaalsContact O-SG 3.4Å; C218-G220 PolarHBondContact O-N 3.2Å; C218-D221 VanDerWaalsContact CB-O 3.26Å; C218-D221 WeakPolarHBondContact CB-O 3.47Å; C218-D221 PolarHBondContact O-N 3.05Å; C218-D221 PolarHBondContact SG-O 3.01Å; C218-K224 HydrophobicContact CB-CB 4.28Å; C218-K224 WeakPolarHBondContact O-CD 3.26Å; C218-I226 HydrophobicContact CB-CD1 4.49Å; C218-V249 HydrophobicContact CB-CG2 4.14Å
219	D	88	Confident	94.1	Very high	62 Å²	62	41.4 Å²	41.4	33%	0.332	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	26.9	-178	-49.6	-45.5	0	0	0	114.1	K183 V215 D221 K224	K183-D219 IonicContact NZ-OD1 2.91Å; K183-D219 PolarHBondContact NZ-OD1 3.35Å; V215-D219 VanDerWaalsContact O-CA 3.24Å; V215-D219 WeakPolarHBondContact O-CA 3.46Å; V215-D219 PolarHBondContact O-N 2.94Å; D219-D221 PolarHBondContact O-N 2.7Å; D219-K224 HydrophobicContact CB-CD 4.33Å; D219-K224 IonicContact OD2-NZ 2.71Å; D219-K224 PolarHBondContact OD2-NZ 3.03Å
220	G	85.3	Confident	94.2	Very high	18 Å²	18	37.5 Å²	37.5	19%	0.186	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-8.1	-178.1	0	0	0	0	0	114.6	D153 R155 C218	D153-G220 WeakPolarHBondContact OD2-CA 3.12Å; R155-G220 PolarHBondContact NH2-O 2.85Å; C218-G220 PolarHBondContact O-N 3.2Å
221	D	90.7	Very high	94.2	Very high	75 Å²	75	38.5 Å²	38.5	40%	0.401	21%	0.213	S	C	.	.			trans	-91.6	109.3	175.9	-177.7	-10.6	0	0	0	109.9	C218 D219 E223 K224	C218-D221 VanDerWaalsContact CB-O 3.26Å; C218-D221 WeakPolarHBondContact CB-O 3.47Å; C218-D221 PolarHBondContact O-N 3.05Å; C218-D221 PolarHBondContact SG-O 3.01Å; D219-D221 PolarHBondContact O-N 2.7Å; D221-E223 PolarHBondContact O-N 2.54Å; D221-E223 PolarHBondContact OD1-N 2.8Å; D221-K224 HydrophobicContact CB-CB 4.44Å; D221-K224 HydrophobicContact CB-CD 3.99Å; D221-K224 HydrophobicContact CB-CG 3.9Å; D221-K224 PolarHBondContact O-N 2.63Å
222	M	94.4	Very high	94.2	Very high	55 Å²	55	34.8 Å²	34.8	27%	0.271	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.7	-174.2	-64.4	175.6	60.3	0	0	113.7	S248 V249 S250 I290	M222-S248 WeakPolarHBondContact O-CB 3.38Å; M222-V249 HydrophobicContact CB-CB 4.12Å; M222-V249 HydrophobicContact CB-CG1 4.48Å; M222-V249 HydrophobicContact CE-CG1 4Å; M222-V249 HydrophobicContact CG-CB 4.32Å; M222-V249 HydrophobicContact CG-CG1 4.24Å; M222-V249 PolarHBondContact O-N 2.75Å; M222-V249 VanDerWaalsContact O-N 3.08Å; M222-S250 WeakPolarHBondContact CB-OG 3.29Å; M222-S250 PolarHBondContact O-N 2.94Å; M222-S250 PolarHBondContact O-OG 2.68Å; M222-I290 HydrophobicContact CE-CD1 3.75Å; M222-I290 HydrophobicContact SD-CD1 4.42Å
223	E	95.8	Very high	94.2	Very high	128 Å²	128	37.7 Å²	37.7	60%	0.598	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.6	178.3	-60.2	-55.2	140.3	0	0	113	D221 S250	D221-E223 PolarHBondContact O-N 2.54Å; D221-E223 PolarHBondContact OD1-N 2.8Å; E223-S250 WeakPolarHBondContact OE1-CB 3.38Å; E223-S250 PolarHBondContact OE1-OG 2.97Å
224	K	94.1	Very high	93.9	Very high	66 Å²	66	36.8 Å²	36.8	29%	0.287	19%	0.193	S	C	.	.	S	Bend	trans	-60.2	138.1	179.2	-86.8	-176.6	177.2	177.5	0	111.1	C218 D219 D221	C218-K224 HydrophobicContact CB-CB 4.28Å; C218-K224 WeakPolarHBondContact O-CD 3.26Å; D219-K224 HydrophobicContact CB-CD 4.33Å; D219-K224 IonicContact OD2-NZ 2.71Å; D219-K224 PolarHBondContact OD2-NZ 3.03Å; D221-K224 HydrophobicContact CB-CB 4.44Å; D221-K224 HydrophobicContact CB-CD 3.99Å; D221-K224 HydrophobicContact CB-CG 3.9Å; D221-K224 PolarHBondContact O-N 2.63Å
225	P	96.1	Very high	93.4	Very high	57 Å²	57	43.8 Å²	43.8	37%	0.37	23%	0.23	S	C	.	.			trans	-70.1	136.4	-178.1	29.1	-34.7	0	0	0	110.9	P184 W190 T247	P184-P225 VanDerWaalsContact CD-O 3.22Å; P184-P225 WeakPolarHBondContact CD-O 3.33Å; P184-P225 HydrophobicContact CG-CG 4.43Å; W190-P225 HydrophobicContact CH2-CB 4.41Å; W190-P225 HydrophobicContact CH2-CG 4.47Å; P225-T247 CarbonylContact C-O 3.59Å; P225-T247 WeakPolarHBondContact CA-O 3.17Å
226	I	97.8	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.5	173.5	-62.4	161.4	0	0	0	107	F181 Y182 L217 C218 V228 Q246 T247 V249 M252	F181-I226 HydrophobicContact CD1-CG2 4.23Å; Y182-I226 WeakPolarHBondContact O-CA 3.49Å; L217-I226 HydrophobicContact CD1-CD1 4.2Å; L217-I226 HydrophobicContact CD1-CG1 4.47Å; L217-I226 HydrophobicContact CD1-CG2 4.17Å; L217-I226 HydrophobicContact CD2-CD1 3.82Å; L217-I226 HydrophobicContact CG-CD1 3.67Å; L217-I226 HydrophobicContact CG-CG1 4.26Å; C218-I226 HydrophobicContact CB-CD1 4.49Å; I226-V228 HydrophobicContact CG2-CG2 4.13Å; I226-Q246 VanDerWaalsContact O-CA 3.31Å; I226-Q246 WeakPolarHBondContact O-CA 3.5Å; I226-T247 HydrophobicContact CB-CG2 4.41Å; I226-T247 PolarHBondContact N-O 3.3Å; I226-T247 PolarHBondContact O-N 3.41Å; I226-V249 HydrophobicContact CD1-CG2 3.69Å; I226-M252 HydrophobicContact CD1-CE 4.02Å; I226-M252 HydrophobicContact CG2-CE 4.22Å
227	Q	97.9	Very high	92	Very high	19 Å²	19	47.9 Å²	47.9	9%	0.089	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.2	172.2	-178	175.6	9.8	0	0	109.2	Y182 W190 M229 E244 Q246	Y182-Q227 PolarHBondContact N-O 3.26Å; Y182-Q227 PolarHBondContact O-N 3.11Å; W190-Q227 VanDerWaalsContact CD1-OE1 3.26Å; W190-Q227 HydrophobicContact CD2-CB 4.12Å; W190-Q227 HydrophobicContact CE3-CB 3.81Å; W190-Q227 HydrophobicContact CH2-CB 3.86Å; W190-Q227 HydrophobicContact CZ2-CB 4.16Å; W190-Q227 HydrophobicContact CZ3-CB 3.66Å; Q227-M229 HydrophobicContact CG-CG 4.07Å; Q227-E244 PolarHBondContact NE2-OE2 3.28Å; Q227-Q246 HydrophobicContact CB-CG 4.37Å
228	V	98.4	Very high	91.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.2	176.1	-174.2	0	0	0	0	108.3	L179 E180 F181 I226 E244 F245	L179-V228 HydrophobicContact CB-CG1 4.45Å; L179-V228 HydrophobicContact CD1-CG1 4.48Å; L179-V228 HydrophobicContact CD2-CG1 4.4Å; E180-V228 CarbonylContact O-C 3.46Å; E180-V228 WeakPolarHBondContact O-CA 2.93Å; F181-V228 HydrophobicContact CD1-CG1 4.47Å; F181-V228 HydrophobicContact CD1-CG2 3.64Å; F181-V228 HydrophobicContact CE1-CG1 4.19Å; F181-V228 HydrophobicContact CE1-CG2 3.66Å; F181-V228 HydrophobicContact CE2-CG1 4.38Å; F181-V228 HydrophobicContact CG-CG2 4.39Å; F181-V228 HydrophobicContact CZ-CG1 4.13Å; F181-V228 HydrophobicContact CZ-CG2 4.42Å; I226-V228 HydrophobicContact CG2-CG2 4.13Å; V228-E244 CarbonylContact O-C 3.44Å; V228-E244 VanDerWaalsContact O-CA 3.22Å; V228-E244 WeakPolarHBondContact O-CA 3.31Å; V228-F245 HydrophobicContact CB-CD1 4.01Å; V228-F245 HydrophobicContact CB-CD2 4.41Å; V228-F245 HydrophobicContact CB-CE1 3.48Å; V228-F245 VanDerWaalsContact CB-CE1 3.48Å; V228-F245 HydrophobicContact CB-CE2 3.95Å; V228-F245 HydrophobicContact CB-CG 4.45Å; V228-F245 HydrophobicContact CB-CZ 3.46Å; V228-F245 VanDerWaalsContact CB-CZ 3.46Å; V228-F245 HydrophobicContact CG1-CD1 4.41Å; V228-F245 HydrophobicContact CG1-CE1 3.53Å; V228-F245 HydrophobicContact CG1-CZ 3.65Å; V228-F245 HydrophobicContact CG2-CE1 4.25Å; V228-F245 HydrophobicContact CG2-CE2 3.87Å; V228-F245 HydrophobicContact CG2-CZ 3.69Å; V228-F245 PolarHBondContact N-O 2.93Å; V228-F245 PolarHBondContact O-N 3.26Å
229	M	98.5	Very high	91.5	Very high	28 Å²	28	52.4 Å²	52.4	14%	0.138	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.3	-178.7	-58.1	-173.8	80.7	0	0	109.7	L179 E180 Y182 Q227 Y231 F241 E244	L179-M229 CarbonylContact C-O 3.6Å; L179-M229 WeakPolarHBondContact CA-O 3.25Å; E180-M229 PolarHBondContact N-O 2.91Å; E180-M229 PolarHBondContact O-N 3.3Å; Y182-M229 HydrophobicContact CD2-CG 4.16Å; Y182-M229 HydrophobicContact CD2-SD 4.14Å; Y182-M229 HydrophobicContact CE2-CB 4.29Å; Y182-M229 HydrophobicContact CE2-CG 4.04Å; Y182-M229 HydrophobicContact CE2-SD 3.75Å; Q227-M229 HydrophobicContact CG-CG 4.07Å; M229-Y231 HydrophobicContact CB-CD2 4.17Å; M229-Y231 HydrophobicContact CB-CE2 3.45Å; M229-Y231 VanDerWaalsContact CB-CE2 3.45Å; M229-Y231 WeakPolarHBondContact CE-OH 3.4Å; M229-Y231 HydrophobicContact CG-CE2 4.5Å; M229-Y231 HydrophobicContact SD-CE2 4.42Å; M229-F241 HydrophobicContact CB-CE2 4.31Å; M229-F241 HydrophobicContact CE-CD2 3.97Å; M229-F241 HydrophobicContact CE-CE2 3.44Å; M229-F241 VanDerWaalsContact CE-CE2 3.44Å; M229-F241 HydrophobicContact CE-CZ 4.15Å; M229-E244 HydrophobicContact CG-CB 4.21Å
230	C	98.5	Very high	91.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.4	178	-173.9	0	0	0	0	109.1	F178 L179 I242 G243	F178-C230 WeakPolarHBondContact O-CA 3.46Å; L179-C230 HydrophobicContact CD2-CB 3.67Å; C230-I242 HydrophobicContact CB-CB 4.27Å; C230-I242 WeakPolarHBondContact O-CA 3.3Å; C230-I242 WeakPolarHBondContact O-CB 3.26Å; C230-I242 PolarHBondContact O-N 3.25Å; C230-G243 PolarHBondContact N-O 2.99Å; C230-G243 PolarHBondContact O-N 2.9Å
231	Y	97.9	Very high	92.2	Very high	40 Å²	40	53.8 Å²	53.8	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.4	-176.8	-70	-88	0	0	0	110.8	P177 F178 E180 M229 H239 F241	P177-Y231 CarbonylContact C-O 3.46Å; P177-Y231 VanDerWaalsContact CA-O 3.23Å; P177-Y231 WeakPolarHBondContact CA-O 3.2Å; F178-Y231 VanDerWaalsContact CE1-CB 3.42Å; F178-Y231 HydrophobicContact CE1-CG 4.46Å; F178-Y231 HydrophobicContact CE2-CD2 4.14Å; F178-Y231 HydrophobicContact CE2-CG 4.38Å; F178-Y231 VanDerWaalsContact CZ-CB 3.4Å; F178-Y231 HydrophobicContact CZ-CD2 4.21Å; F178-Y231 AromaticContact CZ-CG 3.99Å; F178-Y231 HydrophobicContact CZ-CG 3.99Å; F178-Y231 PolarHBondContact N-O 2.8Å; F178-Y231 PolarHBondContact O-N 3.08Å; E180-Y231 HydrophobicContact CG-CD2 4.41Å; E180-Y231 HydrophobicContact CG-CE2 4.45Å; E180-Y231 VanDerWaalsContact OE2-CE2 3.25Å; E180-Y231 WeakPolarHBondContact OE2-CE2 3.42Å; M229-Y231 HydrophobicContact CB-CD2 4.17Å; M229-Y231 HydrophobicContact CB-CE2 3.45Å; M229-Y231 VanDerWaalsContact CB-CE2 3.45Å; M229-Y231 WeakPolarHBondContact CE-OH 3.4Å; M229-Y231 HydrophobicContact CG-CE2 4.5Å; M229-Y231 HydrophobicContact SD-CE2 4.42Å; Y231-H239 HydrophobicContact CD1-CB 4.28Å; Y231-F241 HydrophobicContact CD1-CB 4.12Å; Y231-F241 HydrophobicContact CD1-CD2 4.17Å; Y231-F241 HydrophobicContact CE1-CB 3.93Å; Y231-F241 AromaticContact CE1-CD2 3.71Å; Y231-F241 HydrophobicContact CE1-CD2 3.71Å; Y231-F241 HydrophobicContact CE1-CG 4.3Å; Y231-F241 HydrophobicContact CE2-CD2 4.5Å; Y231-F241 AromaticContact CZ-CD2 3.9Å
232	D	95.6	Very high	92.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.2	164.1	-171.5	28.4	0	0	0	110	K169 S175 D176 D234 H239 D240 I242	K169-D232 HydrophobicContact CB-CB 3.95Å; K169-D232 WeakPolarHBondContact CB-OD2 3.46Å; K169-D232 HydrophobicContact CG-CB 3.98Å; S175-D232 VanDerWaalsContact CA-OD1 3.24Å; S175-D232 WeakPolarHBondContact CA-OD1 2.87Å; S175-D232 VanDerWaalsContact CB-OD1 3.29Å; S175-D232 WeakPolarHBondContact CB-OD1 3.07Å; D176-D232 WeakPolarHBondContact CA-OD1 3.2Å; D176-D232 PolarHBondContact N-OD1 3.16Å; D232-D234 PolarHBondContact O-N 3.07Å; D232-H239 CarbonylContact O-C 3.47Å; D232-H239 VanDerWaalsContact O-CA 3.29Å; D232-H239 WeakPolarHBondContact O-CA 3.26Å; D232-H239 VanDerWaalsContact O-CB 3.29Å; D232-H239 WeakPolarHBondContact O-CB 3.44Å; D232-D240 HydrophobicContact CB-CB 3.88Å; D232-D240 PolarHBondContact N-O 2.89Å; D232-D240 PolarHBondContact O-N 3.1Å; D232-I242 HydrophobicContact CB-CD1 4.22Å; D232-I242 HydrophobicContact CB-CG1 4.32Å
233	Y	93.9	Very high	92.7	Very high	75 Å²	75	47.6 Å²	47.6	29%	0.294	26%	0.262	S	S	.	.			trans	-82.3	111.4	-177.2	177	-92.3	0	0	0	112.4	D176 F178 V198 N235 H239	D176-Y233 WeakPolarHBondContact O-CB 3.28Å; D176-Y233 PolarHBondContact O-N 3.4Å; F178-Y233 HydrophobicContact CE1-CD2 4.48Å; V198-Y233 HydrophobicContact CG1-CD1 4.36Å; V198-Y233 HydrophobicContact CG1-CG 4.02Å; V198-Y233 HydrophobicContact CG2-CD2 3.86Å; V198-Y233 HydrophobicContact CG2-CG 3.92Å; Y233-N235 WeakPolarHBondContact CE1-OD1 3.39Å; Y233-H239 AromaticContact CD2-CE1 3.21Å; Y233-H239 WeakPolarHBondContact CD2-CE1 3.38Å; Y233-H239 AromaticContact CD2-ND1 3.69Å; Y233-H239 AromaticContact CD2-NE2 3.89Å; Y233-H239 AromaticContact CE2-CE1 3.3Å; Y233-H239 WeakPolarHBondContact CE2-CE1 3.35Å; Y233-H239 AromaticContact CE2-NE2 3.97Å
234	D	88	Confident	92.8	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.214	24%	0.244	C	C	.	.			trans	-98.2	140.1	164.9	-62.7	-64.9	0	0	0	113.6	D232 D236 G237 H239 D240	D232-D234 PolarHBondContact O-N 3.07Å; D234-D236 WeakPolarHBondContact CB-OD1 3.49Å; D234-D236 PolarHBondContact O-N 3.29Å; D234-G237 PolarHBondContact O-N 3.17Å; D234-H239 PolarHBondContact N-ND1 3.34Å; D234-H239 PolarHBondContact O-CE1 3.3Å; D234-H239 PolarHBondContact O-ND1 2.99Å; D234-H239 VanDerWaalsContact O-ND1 3.16Å; D234-D240 PolarHBondContact OD2-N 3.43Å
235	N	80.5	Confident	93	Very high	147 Å²	147	41.7 Å²	41.7	79%	0.786	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.8	179.9	-73.1	-55	0	0	0	114.2	Y233 G237	Y233-N235 WeakPolarHBondContact CE1-OD1 3.39Å; N235-G237 VanDerWaalsContact C-N 3.28Å
236	D	80.9	Confident	93.1	Very high	138 Å²	138	44.5 Å²	44.5	74%	0.738	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.8	179.4	68.1	-0.9	0	0	0	113.2	D234 G238	D234-D236 WeakPolarHBondContact CB-OD1 3.49Å; D234-D236 PolarHBondContact O-N 3.29Å; D236-G238 VanDerWaalsContact C-N 3.27Å; D236-G238 PolarHBondContact O-N 3.49Å; D236-G238 WeakPolarHBondContact OD1-CA 3.37Å; D236-G238 PolarHBondContact OD1-N 3.06Å
237	G	74.4	Confident	93.1	Very high	52 Å²	52	44.9 Å²	44.9	54%	0.536	25%	0.246	S	C	.	.	S	Bend	trans	81.8	-2.3	-177.7	0	0	0	0	0	114.3	D234 N235 H239	D234-G237 PolarHBondContact O-N 3.17Å; N235-G237 VanDerWaalsContact C-N 3.28Å; G237-H239 PolarHBondContact O-N 2.63Å
238	G	83.7	Confident	93.1	Very high	50 Å²	50	44.8 Å²	44.8	52%	0.515	25%	0.247	S	C	.	.			trans	-86	39.7	178.7	0	0	0	0	0	114	D236 D240	D236-G238 VanDerWaalsContact C-N 3.27Å; D236-G238 PolarHBondContact O-N 3.49Å; D236-G238 WeakPolarHBondContact OD1-CA 3.37Å; D236-G238 PolarHBondContact OD1-N 3.06Å; G238-D240 PolarHBondContact O-N 2.64Å
239	H	90.3	Very high	93	Very high	46 Å²	46	44.7 Å²	44.7	21%	0.213	25%	0.247	C	C	.	.			trans	-43.8	128.7	-169.5	-55.2	-37.6	0	0	0	114.1	F178 Y231 D232 Y233 D234 G237 F241	F178-H239 HydrophobicContact CE1-CB 4.19Å; F178-H239 HydrophobicContact CZ-CB 4.14Å; F178-H239 AromaticContact CZ-CD2 3.65Å; F178-H239 AromaticContact CZ-CG 3.94Å; Y231-H239 HydrophobicContact CD1-CB 4.28Å; D232-H239 CarbonylContact O-C 3.47Å; D232-H239 VanDerWaalsContact O-CA 3.29Å; D232-H239 WeakPolarHBondContact O-CA 3.26Å; D232-H239 VanDerWaalsContact O-CB 3.29Å; D232-H239 WeakPolarHBondContact O-CB 3.44Å; Y233-H239 AromaticContact CD2-CE1 3.21Å; Y233-H239 WeakPolarHBondContact CD2-CE1 3.38Å; Y233-H239 AromaticContact CD2-ND1 3.69Å; Y233-H239 AromaticContact CD2-NE2 3.89Å; Y233-H239 AromaticContact CE2-CE1 3.3Å; Y233-H239 WeakPolarHBondContact CE2-CE1 3.35Å; Y233-H239 AromaticContact CE2-NE2 3.97Å; D234-H239 PolarHBondContact N-ND1 3.34Å; D234-H239 PolarHBondContact O-CE1 3.3Å; D234-H239 PolarHBondContact O-ND1 2.99Å; D234-H239 VanDerWaalsContact O-ND1 3.16Å; G237-H239 PolarHBondContact O-N 2.63Å; H239-F241 PolarHBondContact O-N 3.45Å
240	D	92.6	Very high	92.9	Very high	65 Å²	65	44.9 Å²	44.9	35%	0.348	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.2	-168.2	-139.7	31	0	0	0	111.7	K169 D232 D234 G238 I242	K169-D240 HydrophobicContact CB-CB 4.33Å; K169-D240 HydrophobicContact CG-CB 4.33Å; K169-D240 IonicContact NZ-OD2 2.64Å; K169-D240 PolarHBondContact NZ-OD2 3.4Å; D232-D240 HydrophobicContact CB-CB 3.88Å; D232-D240 PolarHBondContact N-O 2.89Å; D232-D240 PolarHBondContact O-N 3.1Å; D234-D240 PolarHBondContact OD2-N 3.43Å; G238-D240 PolarHBondContact O-N 2.64Å; D240-I242 PolarHBondContact O-N 2.82Å
241	F	96.8	Very high	92.8	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.193	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	120.9	-176.2	178.6	-109.8	0	0	0	112.5	K169 M229 Y231 H239 G243 E244 N267	K169-F241 WeakPolarHBondContact CE-O 3.41Å; K169-F241 PolarHBondContact NZ-O 3.13Å; M229-F241 HydrophobicContact CB-CE2 4.31Å; M229-F241 HydrophobicContact CE-CD2 3.97Å; M229-F241 HydrophobicContact CE-CE2 3.44Å; M229-F241 VanDerWaalsContact CE-CE2 3.44Å; M229-F241 HydrophobicContact CE-CZ 4.15Å; Y231-F241 HydrophobicContact CD1-CB 4.12Å; Y231-F241 HydrophobicContact CD1-CD2 4.17Å; Y231-F241 HydrophobicContact CE1-CB 3.93Å; Y231-F241 AromaticContact CE1-CD2 3.71Å; Y231-F241 HydrophobicContact CE1-CD2 3.71Å; Y231-F241 HydrophobicContact CE1-CG 4.3Å; Y231-F241 HydrophobicContact CE2-CD2 4.5Å; Y231-F241 AromaticContact CZ-CD2 3.9Å; H239-F241 PolarHBondContact O-N 3.45Å; F241-G243 VanDerWaalsContact CE2-C 3.46Å; F241-G243 VanDerWaalsContact CE2-O 3.28Å; F241-G243 WeakPolarHBondContact CE2-O 3.3Å; F241-E244 HydrophobicContact CE2-CB 4.14Å; F241-E244 HydrophobicContact CZ-CB 3.82Å; F241-E244 HydrophobicContact CZ-CG 3.98Å; F241-N267 PolarHBondContact O-ND2 2.86Å
242	I	97.4	Very high	92.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-59.2	177.1	-64.2	175.4	0	0	0	109.2	D167 K169 P177 C230 D232 D240 N267 S280	D167-I242 HydrophobicContact CB-CG2 4.37Å; K169-I242 HydrophobicContact CG-CG1 4.04Å; P177-I242 HydrophobicContact CB-CD1 4.26Å; C230-I242 HydrophobicContact CB-CB 4.27Å; C230-I242 WeakPolarHBondContact O-CA 3.3Å; C230-I242 WeakPolarHBondContact O-CB 3.26Å; C230-I242 PolarHBondContact O-N 3.25Å; D232-I242 HydrophobicContact CB-CD1 4.22Å; D232-I242 HydrophobicContact CB-CG1 4.32Å; D240-I242 PolarHBondContact O-N 2.82Å; I242-N267 VanDerWaalsContact O-CB 3.32Å; I242-N267 WeakPolarHBondContact O-CB 3.3Å; I242-N267 PolarHBondContact O-ND2 3.41Å; I242-S280 WeakPolarHBondContact O-CB 3.35Å; I242-S280 PolarHBondContact O-OG 3.47Å
243	G	98	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	179.5	-179.5	0	0	0	0	0	112.6	C230 F241 C265 I266	C230-G243 PolarHBondContact N-O 2.99Å; C230-G243 PolarHBondContact O-N 2.9Å; F241-G243 VanDerWaalsContact CE2-C 3.46Å; F241-G243 VanDerWaalsContact CE2-O 3.28Å; F241-G243 WeakPolarHBondContact CE2-O 3.3Å; G243-C265 WeakPolarHBondContact CA-SG 3.37Å; G243-I266 CarbonylContact C-O 3.59Å; G243-I266 WeakPolarHBondContact CA-O 3.43Å
244	E	98.4	Very high	92.4	Very high	49 Å²	49	50.8 Å²	50.8	23%	0.229	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.8	-177.3	66.2	-169.6	176	0	0	111.8	Q227 V228 M229 F241 I266 P268	Q227-E244 PolarHBondContact NE2-OE2 3.28Å; V228-E244 CarbonylContact O-C 3.44Å; V228-E244 VanDerWaalsContact O-CA 3.22Å; V228-E244 WeakPolarHBondContact O-CA 3.31Å; M229-E244 HydrophobicContact CG-CB 4.21Å; F241-E244 HydrophobicContact CE2-CB 4.14Å; F241-E244 HydrophobicContact CZ-CB 3.82Å; F241-E244 HydrophobicContact CZ-CG 3.98Å; E244-I266 PolarHBondContact N-O 3.22Å; E244-I266 PolarHBondContact O-N 3.14Å; E244-P268 HydrophobicContact CG-CG 4.47Å; E244-P268 WeakPolarHBondContact OE1-CG 3.27Å
245	F	98.3	Very high	92.4	Very high	21 Å²	21	49.1 Å²	49.1	9%	0.092	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.5	165.8	65.1	-82.6	0	0	0	109.9	V228 T247 F263 I283	V228-F245 HydrophobicContact CB-CD1 4.01Å; V228-F245 HydrophobicContact CB-CD2 4.41Å; V228-F245 HydrophobicContact CB-CE1 3.48Å; V228-F245 VanDerWaalsContact CB-CE1 3.48Å; V228-F245 HydrophobicContact CB-CE2 3.95Å; V228-F245 HydrophobicContact CB-CG 4.45Å; V228-F245 HydrophobicContact CB-CZ 3.46Å; V228-F245 VanDerWaalsContact CB-CZ 3.46Å; V228-F245 HydrophobicContact CG1-CD1 4.41Å; V228-F245 HydrophobicContact CG1-CE1 3.53Å; V228-F245 HydrophobicContact CG1-CZ 3.65Å; V228-F245 HydrophobicContact CG2-CE1 4.25Å; V228-F245 HydrophobicContact CG2-CE2 3.87Å; V228-F245 HydrophobicContact CG2-CZ 3.69Å; V228-F245 PolarHBondContact N-O 2.93Å; V228-F245 PolarHBondContact O-N 3.26Å; F245-T247 HydrophobicContact CD2-CG2 4.48Å; F245-T247 HydrophobicContact CE2-CG2 4.04Å; F245-F263 HydrophobicContact CB-CB 4.39Å; F245-F263 HydrophobicContact CD1-CB 4.08Å; F245-F263 HydrophobicContact CD2-CB 3.58Å; F245-F263 AromaticContact CD2-CD1 3.56Å; F245-F263 HydrophobicContact CD2-CD1 3.56Å; F245-F263 HydrophobicContact CD2-CD2 4.18Å; F245-F263 HydrophobicContact CD2-CE1 4.23Å; F245-F263 AromaticContact CD2-CG 3.51Å; F245-F263 HydrophobicContact CD2-CG 3.51Å; F245-F263 HydrophobicContact CE1-CB 4.21Å; F245-F263 HydrophobicContact CE2-CB 3.72Å; F245-F263 AromaticContact CE2-CD1 3.75Å; F245-F263 HydrophobicContact CE2-CD1 3.75Å; F245-F263 AromaticContact CE2-CD2 3.56Å; F245-F263 HydrophobicContact CE2-CD2 3.56Å; F245-F263 HydrophobicContact CE2-CE1 4.19Å; F245-F263 HydrophobicContact CE2-CE2 4.02Å; F245-F263 AromaticContact CE2-CG 3.39Å; F245-F263 HydrophobicContact CE2-CG 3.39Å; F245-F263 HydrophobicContact CE2-CZ 4.29Å; F245-F263 HydrophobicContact CG-CB 3.76Å; F245-F263 HydrophobicContact CG-CD1 4.45Å; F245-F263 HydrophobicContact CG-CG 4.22Å; F245-F263 HydrophobicContact CZ-CB 4.04Å; F245-F263 AromaticContact CZ-CD2 3.96Å; F245-F263 HydrophobicContact CZ-CD2 3.96Å; F245-F263 HydrophobicContact CZ-CG 4.02Å; F245-I283 HydrophobicContact CD1-CG1 4.37Å; F245-I283 HydrophobicContact CE1-CB 3.77Å; F245-I283 HydrophobicContact CE1-CG1 3.79Å; F245-I283 HydrophobicContact CE1-CG2 3.91Å; F245-I283 HydrophobicContact CZ-CB 4.22Å; F245-I283 HydrophobicContact CZ-CG2 4Å
246	Q	97.7	Very high	92.3	Very high	116 Å²	116	50.6 Å²	50.6	54%	0.542	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.7	170.5	-72.9	-175.6	-13.1	0	0	110	I226 Q227	I226-Q246 VanDerWaalsContact O-CA 3.31Å; I226-Q246 WeakPolarHBondContact O-CA 3.5Å; Q227-Q246 HydrophobicContact CB-CG 4.37Å
247	T	97.7	Very high	91.9	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	-176.7	176.1	-170.7	0	0	0	0	109.7	P225 I226 F245 Q251 M252 F263	P225-T247 CarbonylContact C-O 3.59Å; P225-T247 WeakPolarHBondContact CA-O 3.17Å; I226-T247 HydrophobicContact CB-CG2 4.41Å; I226-T247 PolarHBondContact N-O 3.3Å; I226-T247 PolarHBondContact O-N 3.41Å; F245-T247 HydrophobicContact CD2-CG2 4.48Å; F245-T247 HydrophobicContact CE2-CG2 4.04Å; T247-Q251 PolarHBondContact OG1-OE1 3.01Å; T247-M252 HydrophobicContact CG2-CE 3.25Å; T247-M252 HydrophobicContact CG2-CG 3.95Å; T247-M252 HydrophobicContact CG2-SD 4.4Å; T247-F263 HydrophobicContact CG2-CZ 4.34Å; T247-F263 WeakPolarHBondContact OG1-CE1 3.46Å; T247-F263 VanDerWaalsContact OG1-CZ 3.28Å; T247-F263 WeakPolarHBondContact OG1-CZ 3.26Å
248	S	97.6	Very high	92	Very high	16 Å²	16	52.2 Å²	52.2	11%	0.112	28%	0.278	C	S	.	.			trans	-132.8	164.6	170.2	70.1	0	0	0	0	108.9	M222 S250 Q251 M252	M222-S248 WeakPolarHBondContact O-CB 3.38Å; S248-S250 PolarHBondContact O-N 3.34Å; S248-Q251 PolarHBondContact O-N 3.27Å; S248-Q251 PolarHBondContact OG-N 3.27Å; S248-M252 WeakPolarHBondContact O-CG 3.11Å; S248-M252 PolarHBondContact O-N 2.75Å
249	V	96.3	Very high	92.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-39.5	175.9	177.4	0	0	0	0	110.5	I157 L214 L217 C218 M222 I226 Q251 M252 C253 I290	I157-V249 HydrophobicContact CD1-CG1 3.78Å; I157-V249 HydrophobicContact CD1-CG2 4.15Å; L214-V249 HydrophobicContact CD1-CG1 4.01Å; L214-V249 HydrophobicContact CD1-CG2 3.98Å; L217-V249 HydrophobicContact CD2-CG2 4.17Å; C218-V249 HydrophobicContact CB-CG2 4.14Å; M222-V249 HydrophobicContact CB-CB 4.12Å; M222-V249 HydrophobicContact CB-CG1 4.48Å; M222-V249 HydrophobicContact CE-CG1 4Å; M222-V249 HydrophobicContact CG-CB 4.32Å; M222-V249 HydrophobicContact CG-CG1 4.24Å; M222-V249 PolarHBondContact O-N 2.75Å; M222-V249 VanDerWaalsContact O-N 3.08Å; I226-V249 HydrophobicContact CD1-CG2 3.69Å; V249-Q251 VanDerWaalsContact C-N 3.3Å; V249-Q251 PolarHBondContact O-N 2.68Å; V249-M252 WeakPolarHBondContact O-CB 3.27Å; V249-M252 PolarHBondContact O-N 3.32Å; V249-M252 VanDerWaalsContact O-N 3.15Å; V249-C253 PolarHBondContact O-N 2.97Å; V249-C253 PolarHBondContact O-SG 2.82Å; V249-I290 HydrophobicContact CG1-CD1 3.64Å
250	S	95.8	Very high	92.3	Very high	32 Å²	32	55.9 Å²	55.9	22%	0.224	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-44.1	175.9	-66.9	0	0	0	0	112.2	M222 E223 S248 C253	M222-S250 WeakPolarHBondContact CB-OG 3.29Å; M222-S250 PolarHBondContact O-N 2.94Å; M222-S250 PolarHBondContact O-OG 2.68Å; E223-S250 WeakPolarHBondContact OE1-CB 3.38Å; E223-S250 PolarHBondContact OE1-OG 2.97Å; S248-S250 PolarHBondContact O-N 3.34Å; S250-C253 PolarHBondContact O-N 3.46Å
251	Q	96.4	Very high	92.5	Very high	69 Å²	69	54.1 Å²	54.1	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-43.4	175.2	-168.1	-172.3	14.5	0	0	111.6	T247 S248 V249 C253 E254 L261	T247-Q251 PolarHBondContact OG1-OE1 3.01Å; S248-Q251 PolarHBondContact O-N 3.27Å; S248-Q251 PolarHBondContact OG-N 3.27Å; V249-Q251 VanDerWaalsContact C-N 3.3Å; V249-Q251 PolarHBondContact O-N 2.68Å; Q251-C253 PolarHBondContact O-N 3.02Å; Q251-E254 VanDerWaalsContact O-CB 3.27Å; Q251-E254 WeakPolarHBondContact O-CB 3.39Å; Q251-E254 WeakPolarHBondContact O-CG 3.45Å; Q251-E254 PolarHBondContact O-N 2.99Å; Q251-L261 HydrophobicContact CG-CD2 4.1Å; Q251-L261 VanDerWaalsContact O-CD2 3.23Å; Q251-L261 WeakPolarHBondContact O-CD2 3.41Å
252	M	95.9	Very high	92.5	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-36.5	176.3	-71.5	-173.4	-175.1	0	0	112.3	I157 L159 F181 I226 T247 S248 V249 E254 A255 L285 C288	I157-M252 HydrophobicContact CD1-SD 4.48Å; L159-M252 HydrophobicContact CD1-CE 4.44Å; L159-M252 HydrophobicContact CD1-SD 3.93Å; L159-M252 HydrophobicContact CD2-SD 4.04Å; F181-M252 HydrophobicContact CD1-CE 4.4Å; F181-M252 HydrophobicContact CE1-CE 4.08Å; I226-M252 HydrophobicContact CD1-CE 4.02Å; I226-M252 HydrophobicContact CG2-CE 4.22Å; T247-M252 HydrophobicContact CG2-CE 3.25Å; T247-M252 HydrophobicContact CG2-CG 3.95Å; T247-M252 HydrophobicContact CG2-SD 4.4Å; S248-M252 WeakPolarHBondContact O-CG 3.11Å; S248-M252 PolarHBondContact O-N 2.75Å; V249-M252 WeakPolarHBondContact O-CB 3.27Å; V249-M252 PolarHBondContact O-N 3.32Å; V249-M252 VanDerWaalsContact O-N 3.15Å; M252-E254 PolarHBondContact O-N 3.32Å; M252-A255 VanDerWaalsContact O-CB 3.28Å; M252-A255 WeakPolarHBondContact O-CB 3.27Å; M252-A255 PolarHBondContact O-N 3.27Å; M252-A255 VanDerWaalsContact O-N 3.09Å; M252-L285 HydrophobicContact CB-CD2 3.58Å; M252-L285 HydrophobicContact CG-CD2 3.82Å; M252-L285 VanDerWaalsContact O-CD2 3.32Å; M252-L285 WeakPolarHBondContact O-CD2 3.13Å; M252-C288 HydrophobicContact CB-CB 4.45Å; M252-C288 VanDerWaalsContact O-CB 3.25Å; M252-C288 WeakPolarHBondContact O-CB 3.35Å
253	C	92.8	Very high	92.6	Very high	46 Å²	46	57 Å²	57	31%	0.311	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.1	177.4	-74.2	0	0	0	0	114.6	V249 S250 Q251 A255 C288 I290	V249-C253 PolarHBondContact O-N 2.97Å; V249-C253 PolarHBondContact O-SG 2.82Å; S250-C253 PolarHBondContact O-N 3.46Å; Q251-C253 PolarHBondContact O-N 3.02Å; C253-A255 PolarHBondContact O-N 3.17Å; C253-C288 VanDerWaalsContact SG-SG 3.69Å; C253-I290 VanDerWaalsContact SG-CD1 3.59Å
254	E	91.4	Very high	92.6	Very high	123 Å²	123	62.1 Å²	62.1	58%	0.575	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.3	169.8	-62.1	176.8	-172.1	0	0	111.7	Q251 M252 R256	Q251-E254 VanDerWaalsContact O-CB 3.27Å; Q251-E254 WeakPolarHBondContact O-CB 3.39Å; Q251-E254 WeakPolarHBondContact O-CG 3.45Å; Q251-E254 PolarHBondContact O-N 2.99Å; M252-E254 PolarHBondContact O-N 3.32Å; E254-R256 PolarHBondContact O-N 2.85Å
255	A	88.3	Confident	92.5	Very high	5 Å²	5	59.8 Å²	59.8	4%	0.041	31%	0.308	C	S	.	.			trans	-67.6	124.2	173.6	0	0	0	0	0	110.7	M252 C253 I259 L261 L285	M252-A255 VanDerWaalsContact O-CB 3.28Å; M252-A255 WeakPolarHBondContact O-CB 3.27Å; M252-A255 PolarHBondContact O-N 3.27Å; M252-A255 VanDerWaalsContact O-N 3.09Å; C253-A255 PolarHBondContact O-N 3.17Å; A255-I259 WeakPolarHBondContact CA-O 3.2Å; A255-L261 HydrophobicContact CB-CB 3.91Å; A255-L285 HydrophobicContact CB-CB 4.41Å; A255-L285 HydrophobicContact CB-CD2 3.83Å; A255-L285 HydrophobicContact CB-CG 3.82Å
256	R	77.4	Confident	92.5	Very high	177 Å²	177	60.3 Å²	60.3	67%	0.668	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-117	158.5	173.9	-60.4	-176.7	-178.2	-171.2	-0.2	109.1	E254 S258 I259	E254-R256 PolarHBondContact O-N 2.85Å; R256-S258 PolarHBondContact O-N 2.89Å; R256-I259 HydrophobicContact CB-CB 4.43Å; R256-I259 PolarHBondContact N-O 2.97Å; R256-I259 CarbonylContact O-C 3.54Å; R256-I259 VanDerWaalsContact O-C 3.3Å; R256-I259 PolarHBondContact O-N 2.59Å; R256-I259 VanDerWaalsContact O-O 3.06Å
257	D	72.4	Confident	92.5	Very high	111 Å²	111	55.2 Å²	55.2	59%	0.594	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-24.7	-177.9	-71	-15	0	0	0	113.4	S287 K289	D257-S287 WeakPolarHBondContact OD1-CB 3.47Å; D257-S287 PolarHBondContact OD1-OG 2.77Å; D257-K289 WeakPolarHBondContact OD1-CE 3.44Å; D257-K289 IonicContact OD1-NZ 2.63Å; D257-K289 WeakPolarHBondContact OD2-CE 3.25Å; D257-K289 IonicContact OD2-NZ 3.96Å; D257-K289 PolarHBondContact OD2-NZ 3.19Å
258	S	77.1	Confident	92.4	Very high	113 Å²	113	56.3 Å²	56.3	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-8	175.4	-50.8	0	0	0	0	115.5	R256	R256-S258 PolarHBondContact O-N 2.89Å
259	I	88.1	Confident	92.3	Very high	106 Å²	106	62.6 Å²	62.6	54%	0.544	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-133.5	92.2	-175.1	-54.5	176.3	0	0	0	107.7	A255 R256	A255-I259 WeakPolarHBondContact CA-O 3.2Å; R256-I259 HydrophobicContact CB-CB 4.43Å; R256-I259 PolarHBondContact N-O 2.97Å; R256-I259 CarbonylContact O-C 3.54Å; R256-I259 VanDerWaalsContact O-C 3.3Å; R256-I259 PolarHBondContact O-N 2.59Å; R256-I259 VanDerWaalsContact O-O 3.06Å
260	P	92.8	Very high	92.1	Very high	67 Å²	67	64.5 Å²	64.5	44%	0.435	33%	0.328	S	S	.	.			trans	-71.4	149.9	178.8	30.4	-34.2	0	0	0	110.8	I284 L285	P260-I284 HydrophobicContact CB-CG2 3.62Å; P260-I284 HydrophobicContact CG-CG2 4.41Å; P260-L285 VanDerWaalsContact CA-O 3.31Å; P260-L285 WeakPolarHBondContact CA-O 3.12Å
261	L	96.3	Very high	92.1	Very high	29 Å²	29	68.3 Å²	68.3	15%	0.152	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.5	169.8	-175.5	64.1	0	0	0	109.4	Q251 A255 F263 I284 L285	Q251-L261 HydrophobicContact CG-CD2 4.1Å; Q251-L261 VanDerWaalsContact O-CD2 3.23Å; Q251-L261 WeakPolarHBondContact O-CD2 3.41Å; A255-L261 HydrophobicContact CB-CB 3.91Å; L261-F263 HydrophobicContact CB-CE2 4.46Å; L261-F263 HydrophobicContact CD2-CE1 4.01Å; L261-F263 HydrophobicContact CD2-CE2 3.66Å; L261-F263 HydrophobicContact CD2-CZ 3.23Å; L261-F263 HydrophobicContact CG-CE1 4.4Å; L261-F263 HydrophobicContact CG-CE2 3.86Å; L261-F263 HydrophobicContact CG-CZ 3.8Å; L261-I284 CarbonylContact O-C 3.53Å; L261-I284 WeakPolarHBondContact O-CA 3.19Å; L261-L285 HydrophobicContact CB-CB 4.35Å; L261-L285 PolarHBondContact N-O 3.15Å; L261-L285 PolarHBondContact O-N 3.46Å
262	E	97.1	Very high	91.9	Very high	90 Å²	90	74.4 Å²	74.4	42%	0.421	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.7	-178.1	-63.4	-165.8	167.7	0	0	110.8	R164 I282 I284	R164-E262 IonicContact CZ-OE1 2.81Å; R164-E262 IonicContact CZ-OE2 2.66Å; R164-E262 IonicContact NH1-OE1 3.2Å; R164-E262 PolarHBondContact NH1-OE1 3.18Å; R164-E262 IonicContact NH2-OE1 3.82Å; R164-E262 PolarHBondContact NH2-OE1 3.25Å; R164-E262 IonicContact NH2-OE2 2.74Å; R164-E262 PolarHBondContact NH2-OE2 3.22Å; E262-I282 HydrophobicContact CB-CG2 3.77Å; E262-I282 HydrophobicContact CG-CG2 4.14Å; E262-I284 HydrophobicContact CG-CG1 4.24Å; E262-I284 HydrophobicContact CG-CG2 4.44Å
263	F	98.1	Very high	91.8	Very high	15 Å²	15	82.7 Å²	82.7	7%	0.066	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.5	175.1	-61	-81.2	0	0	0	110	F245 T247 L261 C265 I282 I283 L285	F245-F263 HydrophobicContact CB-CB 4.39Å; F245-F263 HydrophobicContact CD1-CB 4.08Å; F245-F263 HydrophobicContact CD2-CB 3.58Å; F245-F263 AromaticContact CD2-CD1 3.56Å; F245-F263 HydrophobicContact CD2-CD1 3.56Å; F245-F263 HydrophobicContact CD2-CD2 4.18Å; F245-F263 HydrophobicContact CD2-CE1 4.23Å; F245-F263 AromaticContact CD2-CG 3.51Å; F245-F263 HydrophobicContact CD2-CG 3.51Å; F245-F263 HydrophobicContact CE1-CB 4.21Å; F245-F263 HydrophobicContact CE2-CB 3.72Å; F245-F263 AromaticContact CE2-CD1 3.75Å; F245-F263 HydrophobicContact CE2-CD1 3.75Å; F245-F263 AromaticContact CE2-CD2 3.56Å; F245-F263 HydrophobicContact CE2-CD2 3.56Å; F245-F263 HydrophobicContact CE2-CE1 4.19Å; F245-F263 HydrophobicContact CE2-CE2 4.02Å; F245-F263 AromaticContact CE2-CG 3.39Å; F245-F263 HydrophobicContact CE2-CG 3.39Å; F245-F263 HydrophobicContact CE2-CZ 4.29Å; F245-F263 HydrophobicContact CG-CB 3.76Å; F245-F263 HydrophobicContact CG-CD1 4.45Å; F245-F263 HydrophobicContact CG-CG 4.22Å; F245-F263 HydrophobicContact CZ-CB 4.04Å; F245-F263 AromaticContact CZ-CD2 3.96Å; F245-F263 HydrophobicContact CZ-CD2 3.96Å; F245-F263 HydrophobicContact CZ-CG 4.02Å; T247-F263 HydrophobicContact CG2-CZ 4.34Å; T247-F263 WeakPolarHBondContact OG1-CE1 3.46Å; T247-F263 VanDerWaalsContact OG1-CZ 3.28Å; T247-F263 WeakPolarHBondContact OG1-CZ 3.26Å; L261-F263 HydrophobicContact CB-CE2 4.46Å; L261-F263 HydrophobicContact CD2-CE1 4.01Å; L261-F263 HydrophobicContact CD2-CE2 3.66Å; L261-F263 HydrophobicContact CD2-CZ 3.23Å; L261-F263 HydrophobicContact CG-CE1 4.4Å; L261-F263 HydrophobicContact CG-CE2 3.86Å; L261-F263 HydrophobicContact CG-CZ 3.8Å; F263-C265 PolarHBondContact O-N 3.22Å; F263-I282 WeakPolarHBondContact O-CA 3.04Å; F263-I283 PolarHBondContact N-O 3.14Å; F263-I283 PolarHBondContact O-N 2.93Å; F263-L285 HydrophobicContact CE2-CB 4.17Å; F263-L285 HydrophobicContact CE2-CD2 4.45Å
264	E	97.9	Very high	91.8	Very high	106 Å²	106	86.4 Å²	86.4	50%	0.495	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.6	171.4	-63.9	-159.3	121.8	0	0	110	I266 N279	E264-I266 HydrophobicContact CB-CD1 3.9Å; E264-I266 HydrophobicContact CB-CG1 4.41Å; E264-I266 PolarHBondContact O-N 3.32Å; E264-N279 HydrophobicContact CB-CB 4.03Å; E264-N279 PolarHBondContact OE1-ND2 3.29Å
265	C	97.2	Very high	91.6	Very high	0 Å²	0	90.6 Å²	90.6	0%	0	43%	0.426	C	S	.	.			trans	-82.4	109	176.4	-168.2	0	0	0	0	109	G243 F263 Y277 S280 G281 I283	G243-C265 WeakPolarHBondContact CA-SG 3.37Å; F263-C265 PolarHBondContact O-N 3.22Å; C265-Y277 PolarHBondContact O-OH 2.93Å; C265-S280 PolarHBondContact O-N 3.01Å; C265-G281 VanDerWaalsContact CB-O 3.28Å; C265-G281 WeakPolarHBondContact CB-O 3.33Å; C265-G281 PolarHBondContact N-O 3.31Å; C265-I283 HydrophobicContact CB-CG1 4.33Å
266	I	98.3	Very high	91.8	Very high	33 Å²	33	97.9 Å²	97.9	17%	0.169	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-102.9	127.7	-171.5	-58.4	-55.4	0	0	0	111	G243 E244 E264 P268 Q271 Y277 K278 N279	G243-I266 CarbonylContact C-O 3.59Å; G243-I266 WeakPolarHBondContact CA-O 3.43Å; E244-I266 PolarHBondContact N-O 3.22Å; E244-I266 PolarHBondContact O-N 3.14Å; E264-I266 HydrophobicContact CB-CD1 3.9Å; E264-I266 HydrophobicContact CB-CG1 4.41Å; E264-I266 PolarHBondContact O-N 3.32Å; I266-P268 WeakPolarHBondContact O-CD 3.36Å; I266-Q271 HydrophobicContact CG2-CB 4.38Å; I266-Y277 WeakPolarHBondContact CA-OH 3.45Å; I266-Y277 HydrophobicContact CD1-CE1 4.3Å; I266-Y277 HydrophobicContact CG2-CE1 4.29Å; I266-K278 WeakPolarHBondContact CD1-O 3.06Å; I266-N279 HydrophobicContact CD1-CB 3.98Å
267	N	97.6	Very high	92.6	Very high	9 Å²	9	91.2 Å²	91.2	5%	0.048	44%	0.439	C	S	.	.			trans	-97.4	108.3	169.1	-170.9	-60.1	0	0	0	109.3	F241 I242 K269 K270 Q271 Y277 S280	F241-N267 PolarHBondContact O-ND2 2.86Å; I242-N267 VanDerWaalsContact O-CB 3.32Å; I242-N267 WeakPolarHBondContact O-CB 3.3Å; I242-N267 PolarHBondContact O-ND2 3.41Å; N267-K269 PolarHBondContact O-N 3.08Å; N267-K269 VanDerWaalsContact O-N 3.13Å; N267-K269 WeakPolarHBondContact OD1-CB 3.49Å; N267-K269 PolarHBondContact OD1-N 3.17Å; N267-K269 VanDerWaalsContact OD1-N 3.11Å; N267-K270 HydrophobicContact CB-CB 4.02Å; N267-K270 HydrophobicContact CB-CD 3.99Å; N267-K270 HydrophobicContact CB-CG 4.04Å; N267-K270 PolarHBondContact O-N 2.9Å; N267-K270 PolarHBondContact OD1-N 3.44Å; N267-K270 VanDerWaalsContact OD1-N 3.12Å; N267-Q271 PolarHBondContact O-N 2.82Å; N267-Y277 PolarHBondContact N-OH 3.39Å; N267-S280 WeakPolarHBondContact CB-OG 3.46Å
268	P	95.8	Very high	93.6	Very high	32 Å²	32	93.9 Å²	93.9	21%	0.208	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-26.4	-175	-23.7	34.1	0	0	0	113.3	E244 I266 R272	E244-P268 HydrophobicContact CG-CG 4.47Å; E244-P268 WeakPolarHBondContact OE1-CG 3.27Å; I266-P268 WeakPolarHBondContact O-CD 3.36Å; P268-R272 WeakPolarHBondContact O-CB 3.46Å; P268-R272 WeakPolarHBondContact O-CG 3.08Å; P268-R272 PolarHBondContact O-N 2.78Å; P268-R272 PolarHBondContact O-NE 2.71Å
269	K	94.6	Very high	94.5	Very high	147 Å²	147	90.4 Å²	90.4	64%	0.639	42%	0.418	S	S	*	.	H	α-helix	trans	-72.1	-41.1	175.7	-65	179.4	-178.4	172.4	0	110.8	N267 K273	N267-K269 PolarHBondContact O-N 3.08Å; N267-K269 VanDerWaalsContact O-N 3.13Å; N267-K269 WeakPolarHBondContact OD1-CB 3.49Å; N267-K269 PolarHBondContact OD1-N 3.17Å; N267-K269 VanDerWaalsContact OD1-N 3.11Å; K269-K273 WeakPolarHBondContact O-CB 3.27Å; K269-K273 VanDerWaalsContact O-CG 3.29Å; K269-K273 WeakPolarHBondContact O-CG 3.26Å; K269-K273 PolarHBondContact O-N 2.77Å
270	K	94	Very high	95	Very high	40 Å²	40	85.4 Å²	85.4	17%	0.174	39%	0.392	C	S	.	.	H	α-helix	trans	-71	-42.8	176.8	-66.1	178.9	179.4	169.3	0	111.5	D167 N267 R272 K273 K274 Y277	D167-K270 IonicContact OD2-NZ 3.56Å; D167-K270 PolarHBondContact OD2-NZ 2.98Å; N267-K270 HydrophobicContact CB-CB 4.02Å; N267-K270 HydrophobicContact CB-CD 3.99Å; N267-K270 HydrophobicContact CB-CG 4.04Å; N267-K270 PolarHBondContact O-N 2.9Å; N267-K270 PolarHBondContact OD1-N 3.44Å; N267-K270 VanDerWaalsContact OD1-N 3.12Å; K270-R272 VanDerWaalsContact C-N 3.29Å; K270-R272 PolarHBondContact O-N 3.41Å; K270-K273 PolarHBondContact O-N 3.4Å; K270-K273 VanDerWaalsContact O-N 3.08Å; K270-K274 WeakPolarHBondContact O-CB 3.32Å; K270-K274 PolarHBondContact O-N 3.2Å; K270-Y277 HydrophobicContact CB-CD2 3.7Å; K270-Y277 HydrophobicContact CB-CE2 3.67Å; K270-Y277 HydrophobicContact CB-CG 4.24Å; K270-Y277 HydrophobicContact CD-CD2 4.47Å; K270-Y277 HydrophobicContact CD-CE2 4.01Å; K270-Y277 HydrophobicContact CG-CE2 4.48Å
271	Q	93.8	Very high	95.2	Very high	113 Å²	113	82.2 Å²	82.2	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-57.8	-41.2	178.5	-167.3	-179	36.6	0	0	112	I266 N267 Y277	I266-Q271 HydrophobicContact CG2-CB 4.38Å; N267-Q271 PolarHBondContact O-N 2.82Å; Q271-Y277 HydrophobicContact CB-CD1 3.81Å; Q271-Y277 HydrophobicContact CB-CE1 3.94Å; Q271-Y277 HydrophobicContact CG-CD1 4.12Å; Q271-Y277 HydrophobicContact CG-CE1 4.41Å
272	R	93.9	Very high	95.3	Very high	196 Å²	196	81.6 Å²	81.6	74%	0.74	37%	0.369	S	S	*	.	H	α-helix	trans	-71.1	-30.1	175.8	-73.3	-179.7	-76.4	-172.5	-6.5	114.2	P268 K270	P268-R272 WeakPolarHBondContact O-CB 3.46Å; P268-R272 WeakPolarHBondContact O-CG 3.08Å; P268-R272 PolarHBondContact O-N 2.78Å; P268-R272 PolarHBondContact O-NE 2.71Å; K270-R272 VanDerWaalsContact C-N 3.29Å; K270-R272 PolarHBondContact O-N 3.41Å
273	K	93.8	Very high	95.4	Very high	178 Å²	178	77.3 Å²	77.3	77%	0.774	35%	0.349	S	S	*	.	H	α-helix	trans	-97.2	-28.4	-171.5	-72	-177.2	178.8	-172.9	0	114.5	K269 K270	K269-K273 WeakPolarHBondContact O-CB 3.27Å; K269-K273 VanDerWaalsContact O-CG 3.29Å; K269-K273 WeakPolarHBondContact O-CG 3.26Å; K269-K273 PolarHBondContact O-N 2.77Å; K270-K273 PolarHBondContact O-N 3.4Å; K270-K273 VanDerWaalsContact O-N 3.08Å
274	K	92.5	Very high	95.4	Very high	124 Å²	124	77.4 Å²	77.4	54%	0.539	35%	0.35	S	S	.	.			trans	-113.5	113.5	-170.4	-69.8	-174.4	179.3	-172.6	0	110.7	K270 N276 Y277	K270-K274 WeakPolarHBondContact O-CB 3.32Å; K270-K274 PolarHBondContact O-N 3.2Å; K274-N276 VanDerWaalsContact C-N 3.27Å; K274-N276 PolarHBondContact O-N 2.91Å; K274-Y277 WeakPolarHBondContact O-CB 3.29Å; K274-Y277 PolarHBondContact O-N 3.24Å
275	K	87.1	Confident	95.3	Very high	212 Å²	212	72.5 Å²	72.5	92%	0.922	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.5	-178.4	-76.8	-172.3	174.9	-176.8	0	115.1
276	N	91.1	Very high	95.2	Very high	157 Å²	157	77.8 Å²	77.8	84%	0.84	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	21.6	-177.3	-63.3	-13.7	0	0	0	112.9	K274	K274-N276 VanDerWaalsContact C-N 3.27Å; K274-N276 PolarHBondContact O-N 2.91Å
277	Y	94.5	Very high	95	Very high	37 Å²	37	77 Å²	77	15%	0.145	34%	0.344	C	S	.	.			trans	-71.1	130.3	177.1	174.7	-95.2	0	0	0	110.7	C265 I266 N267 K270 Q271 K274 N279 S280	C265-Y277 PolarHBondContact O-OH 2.93Å; I266-Y277 WeakPolarHBondContact CA-OH 3.45Å; I266-Y277 HydrophobicContact CD1-CE1 4.3Å; I266-Y277 HydrophobicContact CG2-CE1 4.29Å; N267-Y277 PolarHBondContact N-OH 3.39Å; K270-Y277 HydrophobicContact CB-CD2 3.7Å; K270-Y277 HydrophobicContact CB-CE2 3.67Å; K270-Y277 HydrophobicContact CB-CG 4.24Å; K270-Y277 HydrophobicContact CD-CD2 4.47Å; K270-Y277 HydrophobicContact CD-CE2 4.01Å; K270-Y277 HydrophobicContact CG-CE2 4.48Å; Q271-Y277 HydrophobicContact CB-CD1 3.81Å; Q271-Y277 HydrophobicContact CB-CE1 3.94Å; Q271-Y277 HydrophobicContact CG-CD1 4.12Å; Q271-Y277 HydrophobicContact CG-CE1 4.41Å; K274-Y277 WeakPolarHBondContact O-CB 3.29Å; K274-Y277 PolarHBondContact O-N 3.24Å; Y277-N279 VanDerWaalsContact CE2-C 3.49Å; Y277-N279 WeakPolarHBondContact CE2-O 3.27Å; Y277-N279 VanDerWaalsContact CZ-C 3.43Å; Y277-N279 VanDerWaalsContact CZ-CA 3.48Å; Y277-N279 WeakPolarHBondContact OH-CA 3.36Å; Y277-S280 WeakPolarHBondContact CE2-OG 3.32Å; Y277-S280 PolarHBondContact OH-N 3.02Å; Y277-S280 PolarHBondContact OH-OG 3.47Å
278	K	93.6	Very high	94.9	Very high	167 Å²	167	77.3 Å²	77.3	73%	0.726	35%	0.347	S	S	*	.			trans	-102	-66.8	173.6	-65.7	-171.1	175.7	-171.7	0	110.3	I266	I266-K278 WeakPolarHBondContact CD1-O 3.06Å
279	N	97	Very high	94.7	Very high	41 Å²	41	80.1 Å²	80.1	22%	0.219	36%	0.356	C	S	.	.			trans	-154.5	173.8	177.6	56.6	56.2	0	0	0	109.9	E264 I266 Y277 G281	E264-N279 HydrophobicContact CB-CB 4.03Å; E264-N279 PolarHBondContact OE1-ND2 3.29Å; I266-N279 HydrophobicContact CD1-CB 3.98Å; Y277-N279 VanDerWaalsContact CE2-C 3.49Å; Y277-N279 WeakPolarHBondContact CE2-O 3.27Å; Y277-N279 VanDerWaalsContact CZ-C 3.43Å; Y277-N279 VanDerWaalsContact CZ-CA 3.48Å; Y277-N279 WeakPolarHBondContact OH-CA 3.36Å; N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact OD1-N 3.48Å; N279-G281 VanDerWaalsContact OD1-N 3.1Å; N279-G281 PolarHBondContact OD1-O 2.92Å
280	S	97.4	Very high	94.6	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-102.9	29.5	174.6	-59.2	0	0	0	0	110.4	L166 D167 I242 C265 N267 Y277	L166-S280 WeakPolarHBondContact CA-O 3.2Å; D167-S280 PolarHBondContact N-O 3.43Å; D167-S280 WeakPolarHBondContact OD2-CB 3.24Å; D167-S280 PolarHBondContact OD2-OG 3.36Å; I242-S280 WeakPolarHBondContact O-CB 3.35Å; I242-S280 PolarHBondContact O-OG 3.47Å; C265-S280 PolarHBondContact O-N 3.01Å; N267-S280 WeakPolarHBondContact CB-OG 3.46Å; Y277-S280 WeakPolarHBondContact CE2-OG 3.32Å; Y277-S280 PolarHBondContact OH-N 3.02Å; Y277-S280 PolarHBondContact OH-OG 3.47Å
281	G	97.8	Very high	94.4	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.01	35%	0.354	C	S	.	.			trans	111.3	179.8	-171.8	0	0	0	0	0	113.4	R164 R165 C265 N279	R164-G281 WeakPolarHBondContact O-CA 3.29Å; R165-G281 WeakPolarHBondContact O-CA 3.47Å; C265-G281 VanDerWaalsContact CB-O 3.28Å; C265-G281 WeakPolarHBondContact CB-O 3.33Å; C265-G281 PolarHBondContact N-O 3.31Å; N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact OD1-N 3.48Å; N279-G281 VanDerWaalsContact OD1-N 3.1Å; N279-G281 PolarHBondContact OD1-O 2.92Å
282	I	98.4	Very high	94	Very high	15 Å²	15	77.6 Å²	77.6	8%	0.077	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.5	-177.1	-62.2	171.3	0	0	0	108.7	G163 R164 E262 F263 I284	G163-I282 CarbonylContact C-O 3.5Å; G163-I282 WeakPolarHBondContact CA-O 3.27Å; R164-I282 PolarHBondContact N-O 3.4Å; R164-I282 VanDerWaalsContact NH2-CD1 3.28Å; R164-I282 PolarHBondContact O-N 3.37Å; E262-I282 HydrophobicContact CB-CG2 3.77Å; E262-I282 HydrophobicContact CG-CG2 4.14Å; F263-I282 WeakPolarHBondContact O-CA 3.04Å; I282-I284 HydrophobicContact CG2-CG1 3.95Å
283	I	98.5	Very high	93.7	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.3	168.4	-57.8	-57.1	0	0	0	108.1	L161 L166 L179 W207 F245 F263 C265	L161-I283 HydrophobicContact CD2-CG2 3.88Å; L166-I283 HydrophobicContact CD2-CD1 3.92Å; L179-I283 HydrophobicContact CD1-CG2 4.23Å; L179-I283 HydrophobicContact CD2-CD1 3.96Å; L179-I283 HydrophobicContact CD2-CG1 4.46Å; W207-I283 HydrophobicContact CH2-CD1 3.91Å; W207-I283 HydrophobicContact CZ3-CD1 4.23Å; F245-I283 HydrophobicContact CD1-CG1 4.37Å; F245-I283 HydrophobicContact CE1-CB 3.77Å; F245-I283 HydrophobicContact CE1-CG1 3.79Å; F245-I283 HydrophobicContact CE1-CG2 3.91Å; F245-I283 HydrophobicContact CZ-CB 4.22Å; F245-I283 HydrophobicContact CZ-CG2 4Å; F263-I283 PolarHBondContact N-O 3.14Å; F263-I283 PolarHBondContact O-N 2.93Å; C265-I283 HydrophobicContact CB-CG1 4.33Å
284	I	97.9	Very high	93.6	Very high	18 Å²	18	65.4 Å²	65.4	9%	0.092	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.6	-174.1	-52.8	177.8	0	0	0	107.6	L161 A162 R164 P260 L261 E262 I282 R286	L161-I284 CarbonylContact C-O 3.58Å; L161-I284 VanDerWaalsContact CA-O 3.3Å; L161-I284 WeakPolarHBondContact CA-O 3.38Å; A162-I284 PolarHBondContact N-O 2.94Å; A162-I284 PolarHBondContact O-N 3.37Å; R164-I284 HydrophobicContact CB-CD1 3.84Å; P260-I284 HydrophobicContact CB-CG2 3.62Å; P260-I284 HydrophobicContact CG-CG2 4.41Å; L261-I284 CarbonylContact O-C 3.53Å; L261-I284 WeakPolarHBondContact O-CA 3.19Å; E262-I284 HydrophobicContact CG-CG1 4.24Å; E262-I284 HydrophobicContact CG-CG2 4.44Å; I282-I284 HydrophobicContact CG2-CG1 3.95Å; I284-R286 HydrophobicContact CG2-CG 4.33Å; I284-R286 PolarHBondContact O-N 2.95Å
285	L	97.6	Very high	93.5	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110	169	179.3	64.9	0	0	0	108.5	L159 L161 M252 A255 P260 L261 F263 S287 C288	L159-L285 HydrophobicContact CB-CD1 4.36Å; L159-L285 HydrophobicContact CD2-CD1 4.02Å; L161-L285 HydrophobicContact CD2-CD1 4.16Å; L161-L285 HydrophobicContact CG-CD1 3.92Å; M252-L285 HydrophobicContact CB-CD2 3.58Å; M252-L285 HydrophobicContact CG-CD2 3.82Å; M252-L285 VanDerWaalsContact O-CD2 3.32Å; M252-L285 WeakPolarHBondContact O-CD2 3.13Å; A255-L285 HydrophobicContact CB-CB 4.41Å; A255-L285 HydrophobicContact CB-CD2 3.83Å; A255-L285 HydrophobicContact CB-CG 3.82Å; P260-L285 VanDerWaalsContact CA-O 3.31Å; P260-L285 WeakPolarHBondContact CA-O 3.12Å; L261-L285 HydrophobicContact CB-CB 4.35Å; L261-L285 PolarHBondContact N-O 3.15Å; L261-L285 PolarHBondContact O-N 3.46Å; F263-L285 HydrophobicContact CE2-CB 4.17Å; F263-L285 HydrophobicContact CE2-CD2 4.45Å; L285-S287 WeakPolarHBondContact CD1-O 3.36Å; L285-C288 HydrophobicContact CD2-CB 4.25Å
286	R	94.8	Very high	93.8	Very high	111 Å²	111	51.2 Å²	51.2	42%	0.419	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-33.4	-177	-64.3	-177.3	176.4	-177.2	0.5	112.7	S160 I284	S160-R286 PolarHBondContact O-N 2.7Å; I284-R286 HydrophobicContact CG2-CG 4.33Å; I284-R286 PolarHBondContact O-N 2.95Å
287	S	94	Very high	93.8	Very high	17 Å²	17	43.7 Å²	43.7	12%	0.119	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	136.6	-178.1	-166.3	0	0	0	0	110	S160 D257 L285 K289	S160-S287 PolarHBondContact N-O 3.32Å; S160-S287 PolarHBondContact O-N 3.05Å; D257-S287 WeakPolarHBondContact OD1-CB 3.47Å; D257-S287 PolarHBondContact OD1-OG 2.77Å; L285-S287 WeakPolarHBondContact CD1-O 3.36Å; S287-K289 VanDerWaalsContact OG-CE 3.29Å; S287-K289 WeakPolarHBondContact OG-CE 3.48Å
288	C	94.4	Very high	93.7	Very high	16 Å²	16	42.6 Å²	42.6	11%	0.108	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.9	169.9	-178.5	0	0	0	0	107.8	L159 M252 C253 L285	L159-C288 HydrophobicContact CD2-CB 4.03Å; M252-C288 HydrophobicContact CB-CB 4.45Å; M252-C288 VanDerWaalsContact O-CB 3.25Å; M252-C288 WeakPolarHBondContact O-CB 3.35Å; C253-C288 VanDerWaalsContact SG-SG 3.69Å; L285-C288 HydrophobicContact CD2-CB 4.25Å
289	K	92.9	Very high	93.7	Very high	91 Å²	91	34.7 Å²	34.7	40%	0.396	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.4	179.5	-63.5	-174.3	-179.3	-178.1	0	109.4	I157 T158 D257 S287	I157-K289 WeakPolarHBondContact CA-O 3.41Å; T158-K289 PolarHBondContact N-O 3.23Å; T158-K289 PolarHBondContact O-N 3.22Å; D257-K289 WeakPolarHBondContact OD1-CE 3.44Å; D257-K289 IonicContact OD1-NZ 2.63Å; D257-K289 WeakPolarHBondContact OD2-CE 3.25Å; D257-K289 IonicContact OD2-NZ 3.96Å; D257-K289 PolarHBondContact OD2-NZ 3.19Å; S287-K289 VanDerWaalsContact OG-CE 3.29Å; S287-K289 WeakPolarHBondContact OG-CE 3.48Å
290	I	92.1	Very high	93.6	Very high	53 Å²	53	32.8 Å²	32.8	27%	0.272	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.8	170.5	-58.8	176.8	0	0	0	107.4	R155 V156 I157 M222 V249 C253	R155-I290 HydrophobicContact CB-CG2 4.15Å; R155-I290 HydrophobicContact CG-CG2 4.42Å; V156-I290 WeakPolarHBondContact O-CA 3.48Å; I157-I290 HydrophobicContact CB-CG1 4.48Å; I157-I290 HydrophobicContact CG1-CG1 4.23Å; M222-I290 HydrophobicContact CE-CD1 3.75Å; M222-I290 HydrophobicContact SD-CD1 4.42Å; V249-I290 HydrophobicContact CG1-CD1 3.64Å; C253-I290 VanDerWaalsContact SG-CD1 3.59Å
291	N	89.1	Confident	93.3	Very high	94 Å²	94	33.5 Å²	33.5	50%	0.503	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166	176.6	-65.2	-17.2	0	0	0	109.1	R155 V156	R155-N291 CarbonylContact C-O 3.6Å; R155-N291 WeakPolarHBondContact CA-O 3.32Å; V156-N291 HydrophobicContact CG2-CB 4.31Å; V156-N291 PolarHBondContact N-O 3.34Å; V156-N291 PolarHBondContact O-N 2.98Å
292	R	86.3	Confident	93	Very high	99 Å²	99	33.6 Å²	33.6	37%	0.374	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.2	170.7	-166.4	163	174.3	153.6	2	108.9	N154 Y294 D298	N154-R292 HydrophobicContact CB-CG 4.31Å; R292-Y294 HydrophobicContact CB-CD1 4.38Å; R292-Y294 HydrophobicContact CB-CE1 3.96Å; R292-Y294 HydrophobicContact CG-CD1 3.86Å; R292-Y294 HydrophobicContact CG-CE1 3.75Å; R292-Y294 PolarHBondContact O-N 3.31Å; R292-D298 IonicContact CZ-OD1 3.5Å; R292-D298 IonicContact NE-OD1 2.68Å; R292-D298 PolarHBondContact NE-OD1 2.82Å; R292-D298 IonicContact NE-OD2 3.76Å; R292-D298 IonicContact NH2-OD1 3.14Å; R292-D298 PolarHBondContact NH2-OD1 2.83Å
293	D	87.9	Confident	92.7	Very high	72 Å²	72	34.3 Å²	34.3	39%	0.385	17%	0.17	S	C	.	.			trans	-94.5	87	174.3	-169.1	39.4	0	0	0	109.1	N154 V156 S295 K536	N154-D293 WeakPolarHBondContact CB-O 3.37Å; N154-D293 PolarHBondContact O-N 3.42Å; V156-D293 HydrophobicContact CB-CB 4.43Å; V156-D293 HydrophobicContact CG1-CB 3.57Å; V156-D293 HydrophobicContact CG2-CB 3.97Å; D293-S295 PolarHBondContact O-N 3.06Å; D293-K536 WeakPolarHBondContact OD1-CE 3.46Å; D293-K536 IonicContact OD1-NZ 3Å; D293-K536 PolarHBondContact OD1-NZ 3.02Å; D293-K536 IonicContact OD2-NZ 2.71Å; D293-K536 PolarHBondContact OD2-NZ 2.92Å
294	Y	89.8	Confident	92.6	Very high	46 Å²	46	34.4 Å²	34.4	18%	0.18	17%	0.171	C	C	.	.			trans	-58.1	131.2	-168.5	-60.2	-69.9	0	0	0	112.9	R292 D298 K536 P541 P542	R292-Y294 HydrophobicContact CB-CD1 4.38Å; R292-Y294 HydrophobicContact CB-CE1 3.96Å; R292-Y294 HydrophobicContact CG-CD1 3.86Å; R292-Y294 HydrophobicContact CG-CE1 3.75Å; R292-Y294 PolarHBondContact O-N 3.31Å; Y294-D298 WeakPolarHBondContact CA-OD2 3.32Å; Y294-D298 HydrophobicContact CD1-CB 3.94Å; Y294-D298 HydrophobicContact CG-CB 4.46Å; Y294-K536 WeakPolarHBondContact O-CE 3.19Å; Y294-P541 HydrophobicContact CE2-CB 4Å; Y294-P542 HydrophobicContact CD1-CG 3.5Å; Y294-P542 HydrophobicContact CD2-CG 4.33Å; Y294-P542 VanDerWaalsContact CE1-CD 3.49Å; Y294-P542 HydrophobicContact CE1-CG 3.77Å; Y294-P542 HydrophobicContact CG-CG 3.8Å
295	S	90.9	Very high	92.4	Very high	20 Å²	20	36.4 Å²	36.4	14%	0.14	18%	0.18	C	C	.	.			trans	-77.6	174	170.9	77.8	0	0	0	0	111	E150 N154 D293 L297 D298 Y299	E150-S295 PolarHBondContact OE1-OG 3.26Å; E150-S295 PolarHBondContact OE2-OG 3.38Å; N154-S295 WeakPolarHBondContact ND2-CB 3.24Å; D293-S295 PolarHBondContact O-N 3.06Å; S295-L297 VanDerWaalsContact C-N 3.28Å; S295-L297 PolarHBondContact O-N 3.35Å; S295-L297 PolarHBondContact OG-N 2.76Å; S295-L297 VanDerWaalsContact OG-N 3.15Å; S295-D298 PolarHBondContact N-OD2 3.35Å; S295-D298 PolarHBondContact O-N 2.94Å; S295-D298 PolarHBondContact OG-N 3.23Å; S295-Y299 WeakPolarHBondContact O-CD2 3.45Å; S295-Y299 PolarHBondContact O-N 3.17Å
296	F	93	Very high	92.4	Very high	18 Å²	18	36.3 Å²	36.3	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-43.4	168.8	171.2	-106.9	0	0	0	111.5	Y83 F85 D298 Y299 I300 L306 P528 V531 V532	Y83-F296 HydrophobicContact CE1-CD1 4.49Å; Y83-F296 HydrophobicContact CE1-CE1 4.49Å; F85-F296 HydrophobicContact CB-CE1 4.21Å; F85-F296 AromaticContact CD2-CE1 3.44Å; F85-F296 HydrophobicContact CD2-CE1 3.44Å; F85-F296 VanDerWaalsContact CD2-CE1 3.44Å; F85-F296 AromaticContact CD2-CZ 3.57Å; F85-F296 HydrophobicContact CD2-CZ 3.57Å; F85-F296 AromaticContact CE2-CE1 3.96Å; F85-F296 HydrophobicContact CE2-CE1 3.96Å; F85-F296 AromaticContact CE2-CZ 3.57Å; F85-F296 HydrophobicContact CE2-CZ 3.57Å; F85-F296 AromaticContact CG-CE1 3.89Å; F85-F296 HydrophobicContact CG-CE1 3.89Å; F85-F296 HydrophobicContact CG-CZ 4.22Å; F85-F296 HydrophobicContact CZ-CZ 4.2Å; F296-D298 PolarHBondContact O-N 2.71Å; F296-Y299 WeakPolarHBondContact O-CB 3.39Å; F296-Y299 PolarHBondContact O-N 2.92Å; F296-Y299 VanDerWaalsContact O-N 3.13Å; F296-I300 HydrophobicContact CD1-CG1 4.27Å; F296-I300 HydrophobicContact CD2-CG1 4.46Å; F296-I300 HydrophobicContact CE1-CD1 4.45Å; F296-I300 HydrophobicContact CE1-CG1 3.75Å; F296-I300 HydrophobicContact CE2-CD1 4.01Å; F296-I300 HydrophobicContact CE2-CG1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 3.8Å; F296-I300 HydrophobicContact CZ-CG1 3.59Å; F296-I300 PolarHBondContact O-N 3.3Å; F296-I300 VanDerWaalsContact O-N 3.13Å; F296-L306 HydrophobicContact CZ-CD1 4.28Å; F296-P528 HydrophobicContact CB-CB 3.93Å; F296-P528 HydrophobicContact CD1-CB 4.09Å; F296-P528 HydrophobicContact CD1-CG 4.39Å; F296-P528 HydrophobicContact CD2-CB 3.91Å; F296-P528 HydrophobicContact CE2-CB 4.45Å; F296-P528 HydrophobicContact CG-CB 3.7Å; F296-P528 HydrophobicContact CG-CG 4.42Å; F296-V531 HydrophobicContact CD2-CB 4.06Å; F296-V531 HydrophobicContact CD2-CG1 4.02Å; F296-V531 HydrophobicContact CD2-CG2 4.48Å; F296-V531 HydrophobicContact CE2-CB 4.27Å; F296-V531 HydrophobicContact CE2-CG1 4.23Å; F296-V531 HydrophobicContact CE2-CG2 4.19Å; F296-V532 HydrophobicContact CB-CG2 3.84Å; F296-V532 VanDerWaalsContact N-CG2 3.3Å
297	L	91.9	Very high	92.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.2	-30.3	-176.7	-169.5	64.2	0	0	0	112.3	C24 V26 Y83 V122 E150 S295 Y299 I300 L301	C24-L297 HydrophobicContact CB-CD2 4.32Å; V26-L297 HydrophobicContact CG2-CD2 3.47Å; V26-L297 VanDerWaalsContact CG2-CD2 3.47Å; Y83-L297 HydrophobicContact CD1-CD1 4.36Å; Y83-L297 HydrophobicContact CD1-CD2 4.25Å; Y83-L297 HydrophobicContact CE1-CD1 3.98Å; V122-L297 HydrophobicContact CB-CD1 3.83Å; V122-L297 HydrophobicContact CG1-CD1 4.14Å; V122-L297 HydrophobicContact CG2-CD1 3.97Å; E150-L297 HydrophobicContact CB-CD2 3.92Å; E150-L297 HydrophobicContact CB-CG 4.43Å; E150-L297 HydrophobicContact CG-CD2 3.9Å; S295-L297 VanDerWaalsContact C-N 3.28Å; S295-L297 PolarHBondContact O-N 3.35Å; S295-L297 PolarHBondContact OG-N 2.76Å; S295-L297 VanDerWaalsContact OG-N 3.15Å; L297-Y299 VanDerWaalsContact C-N 3.25Å; L297-Y299 PolarHBondContact O-N 3.24Å; L297-I300 HydrophobicContact CD1-CB 4.31Å; L297-I300 HydrophobicContact CD1-CG2 4.45Å; L297-I300 PolarHBondContact O-N 3.09Å; L297-L301 HydrophobicContact CD1-CG 4.27Å; L297-L301 HydrophobicContact CD2-CD1 4.25Å; L297-L301 HydrophobicContact CG-CD1 3.83Å; L297-L301 HydrophobicContact CG-CG 4.09Å; L297-L301 VanDerWaalsContact O-CB 3.29Å; L297-L301 WeakPolarHBondContact O-CB 3.48Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.82Å
298	D	91.3	Very high	92.7	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-41.1	168.3	-83.2	-51.1	0	0	0	111	E150 N154 R292 Y294 S295 F296 G302 P542	E150-D298 PolarHBondContact OE2-N 3.25Å; N154-D298 PolarHBondContact ND2-OD2 2.62Å; R292-D298 IonicContact CZ-OD1 3.5Å; R292-D298 IonicContact NE-OD1 2.68Å; R292-D298 PolarHBondContact NE-OD1 2.82Å; R292-D298 IonicContact NE-OD2 3.76Å; R292-D298 IonicContact NH2-OD1 3.14Å; R292-D298 PolarHBondContact NH2-OD1 2.83Å; Y294-D298 WeakPolarHBondContact CA-OD2 3.32Å; Y294-D298 HydrophobicContact CD1-CB 3.94Å; Y294-D298 HydrophobicContact CG-CB 4.46Å; S295-D298 PolarHBondContact N-OD2 3.35Å; S295-D298 PolarHBondContact O-N 2.94Å; S295-D298 PolarHBondContact OG-N 3.23Å; F296-D298 PolarHBondContact O-N 2.71Å; D298-G302 WeakPolarHBondContact O-CA 3.43Å; D298-G302 PolarHBondContact O-N 2.83Å; D298-P542 HydrophobicContact CB-CG 4.27Å; D298-P542 WeakPolarHBondContact O-CB 3.33Å
299	Y	93.9	Very high	92.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-46.5	176.5	-70.8	-62.7	0	0	0	112	S295 F296 L297 G302 G303 C304 A433 V532 F535 L540 P542	S295-Y299 WeakPolarHBondContact O-CD2 3.45Å; S295-Y299 PolarHBondContact O-N 3.17Å; F296-Y299 WeakPolarHBondContact O-CB 3.39Å; F296-Y299 PolarHBondContact O-N 2.92Å; F296-Y299 VanDerWaalsContact O-N 3.13Å; L297-Y299 VanDerWaalsContact C-N 3.25Å; L297-Y299 PolarHBondContact O-N 3.24Å; Y299-G302 CarbonylContact O-C 3.59Å; Y299-G302 WeakPolarHBondContact O-CA 3.38Å; Y299-G302 PolarHBondContact O-N 3.49Å; Y299-G302 VanDerWaalsContact O-N 3.16Å; Y299-G303 PolarHBondContact O-N 2.96Å; Y299-C304 WeakPolarHBondContact O-CB 3.28Å; Y299-C304 PolarHBondContact O-N 3.26Å; Y299-A433 HydrophobicContact CD1-CB 3.39Å; Y299-A433 HydrophobicContact CE1-CB 3.58Å; Y299-A433 HydrophobicContact CG-CB 4.47Å; Y299-V532 HydrophobicContact CD2-CG2 4.2Å; Y299-V532 HydrophobicContact CE2-CG2 4.24Å; Y299-F535 HydrophobicContact CD1-CB 4.42Å; Y299-F535 AromaticContact CD1-CD2 3.98Å; Y299-F535 HydrophobicContact CD1-CD2 3.98Å; Y299-F535 HydrophobicContact CD1-CG 4.37Å; Y299-F535 HydrophobicContact CD2-CD2 4.19Å; Y299-F535 HydrophobicContact CE1-CB 3.65Å; Y299-F535 HydrophobicContact CE1-CD2 4.06Å; Y299-F535 HydrophobicContact CE1-CG 4.03Å; Y299-F535 HydrophobicContact CE2-CB 3.97Å; Y299-F535 HydrophobicContact CE2-CD2 4.28Å; Y299-F535 HydrophobicContact CG-CD2 4.05Å; Y299-F535 VanDerWaalsContact OH-CB 3.3Å; Y299-F535 WeakPolarHBondContact OH-CB 3.48Å; Y299-L540 WeakPolarHBondContact CE1-O 3.38Å; Y299-L540 PolarHBondContact OH-O 2.81Å; Y299-P542 HydrophobicContact CD1-CB 4.15Å; Y299-P542 HydrophobicContact CD1-CG 3.71Å; Y299-P542 HydrophobicContact CE1-CG 3.91Å; Y299-P542 HydrophobicContact CG-CG 4.44Å
300	I	94.6	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-52.2	179.1	-63.4	-56.7	0	0	0	111.6	V122 F296 L297 G302 G303 L306 Y352	V122-I300 HydrophobicContact CG2-CG2 4.16Å; F296-I300 HydrophobicContact CD1-CG1 4.27Å; F296-I300 HydrophobicContact CD2-CG1 4.46Å; F296-I300 HydrophobicContact CE1-CD1 4.45Å; F296-I300 HydrophobicContact CE1-CG1 3.75Å; F296-I300 HydrophobicContact CE2-CD1 4.01Å; F296-I300 HydrophobicContact CE2-CG1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 3.8Å; F296-I300 HydrophobicContact CZ-CG1 3.59Å; F296-I300 PolarHBondContact O-N 3.3Å; F296-I300 VanDerWaalsContact O-N 3.13Å; L297-I300 HydrophobicContact CD1-CB 4.31Å; L297-I300 HydrophobicContact CD1-CG2 4.45Å; L297-I300 PolarHBondContact O-N 3.09Å; I300-G302 PolarHBondContact O-N 2.84Å; I300-G303 PolarHBondContact O-N 3.42Å; I300-L306 HydrophobicContact CD1-CD1 4.43Å; I300-L306 HydrophobicContact CD1-CD2 4.32Å; I300-L306 HydrophobicContact CD1-CG 4.19Å; I300-Y352 HydrophobicContact CD1-CD1 4.02Å; I300-Y352 HydrophobicContact CG1-CD1 4.25Å; I300-Y352 HydrophobicContact CG2-CD1 3.73Å; I300-Y352 HydrophobicContact CG2-CE1 4.03Å
301	L	92	Very high	93.4	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.084	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-28	173.8	-72	168.4	0	0	0	111.7	V122 K125 A148 E150 L297 G303	V122-L301 HydrophobicContact CB-CD2 4.16Å; V122-L301 WeakPolarHBondContact O-CD2 3.45Å; K125-L301 HydrophobicContact CB-CD2 4.38Å; K125-L301 WeakPolarHBondContact CD-O 3.5Å; K125-L301 HydrophobicContact CG-CD2 4.34Å; A148-L301 HydrophobicContact CB-CD2 3.99Å; E150-L301 HydrophobicContact CB-CD1 3.82Å; L297-L301 HydrophobicContact CD1-CG 4.27Å; L297-L301 HydrophobicContact CD2-CD1 4.25Å; L297-L301 HydrophobicContact CG-CD1 3.83Å; L297-L301 HydrophobicContact CG-CG 4.09Å; L297-L301 VanDerWaalsContact O-CB 3.29Å; L297-L301 WeakPolarHBondContact O-CB 3.48Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 2.82Å; L301-G303 PolarHBondContact O-N 3.04Å
302	G	91.4	Very high	93.9	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.7	173.9	0	0	0	0	0	114.6	D298 Y299 I300 T543 N544	D298-G302 WeakPolarHBondContact O-CA 3.43Å; D298-G302 PolarHBondContact O-N 2.83Å; Y299-G302 CarbonylContact O-C 3.59Å; Y299-G302 WeakPolarHBondContact O-CA 3.38Å; Y299-G302 PolarHBondContact O-N 3.49Å; Y299-G302 VanDerWaalsContact O-N 3.16Å; I300-G302 PolarHBondContact O-N 2.84Å; G302-T543 VanDerWaalsContact O-CB 3.28Å; G302-T543 WeakPolarHBondContact O-CB 3.39Å; G302-T543 PolarHBondContact O-N 2.96Å; G302-N544 PolarHBondContact O-N 3.49Å
303	G	92.4	Very high	94.4	Very high	31 Å²	31	15.5 Å²	15.5	32%	0.32	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	11	180	0	0	0	0	0	114.6	Y299 I300 L301 Q305	Y299-G303 PolarHBondContact O-N 2.96Å; I300-G303 PolarHBondContact O-N 3.42Å; L301-G303 PolarHBondContact O-N 3.04Å; G303-Q305 PolarHBondContact O-N 2.83Å
304	C	95.3	Very high	94.9	Very high	2 Å²	2	12 Å²	12	1%	0.014	7%	0.068	C	C	.	.			trans	-65.4	129.3	172.9	-167.6	0	0	0	0	110.4	Y299 A433 T434	Y299-C304 WeakPolarHBondContact O-CB 3.28Å; Y299-C304 PolarHBondContact O-N 3.26Å; C304-A433 WeakPolarHBondContact CA-O 3.48Å; C304-A433 WeakPolarHBondContact CB-O 3.46Å; C304-A433 PolarHBondContact SG-O 2.94Å; C304-A433 VanDerWaalsContact SG-O 3.37Å; C304-T434 WeakPolarHBondContact CA-O 3.48Å
305	Q	95.5	Very high	95.2	Very high	60 Å²	60	10 Å²	10	28%	0.28	6%	0.06	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142	176.4	-57.4	-169.4	15.6	0	0	111.5	G303 M307 Y352 S354 T434 Y436	G303-Q305 PolarHBondContact O-N 2.83Å; Q305-M307 HydrophobicContact CB-CE 3.23Å; Q305-M307 HydrophobicContact CG-CE 4.35Å; Q305-Y352 WeakPolarHBondContact CA-O 3.23Å; Q305-S354 VanDerWaalsContact CD-OG 3.29Å; Q305-S354 PolarHBondContact NE2-OG 2.91Å; Q305-S354 PolarHBondContact OE1-OG 3.21Å; Q305-T434 PolarHBondContact N-O 3.09Å; Q305-Y436 PolarHBondContact O-N 2.69Å
306	L	96.6	Very high	95.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	98.6	177.7	-58.9	-174	0	0	0	110.1	F85 F296 I300 F308 I349 Y352 Y436 I438 V531	F85-L306 HydrophobicContact CE2-CD1 3.86Å; F85-L306 HydrophobicContact CZ-CD1 4.05Å; F296-L306 HydrophobicContact CZ-CD1 4.28Å; I300-L306 HydrophobicContact CD1-CD1 4.43Å; I300-L306 HydrophobicContact CD1-CD2 4.32Å; I300-L306 HydrophobicContact CD1-CG 4.19Å; L306-F308 PolarHBondContact O-N 3.16Å; L306-I349 HydrophobicContact CB-CG2 4.31Å; L306-I349 HydrophobicContact CD1-CD1 4.29Å; L306-Y352 HydrophobicContact CD1-CD2 4.21Å; L306-Y352 HydrophobicContact CD1-CG 3.94Å; L306-Y352 HydrophobicContact CG-CG 4.45Å; L306-Y352 PolarHBondContact N-O 3.5Å; L306-Y436 CarbonylContact C-O 3.51Å; L306-Y436 WeakPolarHBondContact CA-O 3.49Å; L306-I438 HydrophobicContact CB-CD1 3.81Å; L306-I438 HydrophobicContact CD1-CD1 4.07Å; L306-I438 HydrophobicContact CD2-CD1 4.45Å; L306-I438 HydrophobicContact CG-CD1 4.33Å; L306-V531 HydrophobicContact CD2-CG2 4.41Å
307	M	96.9	Very high	95.4	Very high	28 Å²	28	14.4 Å²	14.4	14%	0.138	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	108.9	-177.6	-49.2	-72.3	84.8	0	0	110	Q305 D353 Q435 Y436 F437 I438	Q305-M307 HydrophobicContact CB-CE 3.23Å; Q305-M307 HydrophobicContact CG-CE 4.35Å; M307-D353 WeakPolarHBondContact CE-OD2 3.5Å; M307-Q435 HydrophobicContact CG-CB 4.29Å; M307-Q435 HydrophobicContact CG-CG 4.47Å; M307-Q435 HydrophobicContact SD-CG 4.27Å; M307-Q435 PolarHBondContact SD-NE2 3.2Å; M307-Q435 VanDerWaalsContact SD-NE2 3.45Å; M307-Y436 PolarHBondContact N-O 2.8Å; M307-F437 HydrophobicContact CB-CD1 3.64Å; M307-F437 HydrophobicContact CB-CE1 3.89Å; M307-F437 HydrophobicContact CB-CG 4.11Å; M307-F437 HydrophobicContact CG-CD1 4.05Å; M307-F437 HydrophobicContact CG-CE1 3.87Å; M307-F437 HydrophobicContact CG-CE2 4.37Å; M307-F437 HydrophobicContact CG-CG 4.39Å; M307-F437 HydrophobicContact CG-CZ 4.04Å; M307-F437 CarbonylContact O-C 3.44Å; M307-F437 WeakPolarHBondContact O-CA 3.49Å; M307-I438 PolarHBondContact O-N 2.9Å
308	F	97.6	Very high	95.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.6	-171.6	-174.7	-125.2	0	0	0	113.2	L306 V310 V345 I349 F358 P359 I394 I438 L440	L306-F308 PolarHBondContact O-N 3.16Å; F308-V310 HydrophobicContact CD1-CG2 4.11Å; F308-V310 HydrophobicContact CE1-CG2 3.37Å; F308-V310 HydrophobicContact CE2-CG2 4.34Å; F308-V310 HydrophobicContact CZ-CG2 3.51Å; F308-V345 HydrophobicContact CE2-CG1 3.8Å; F308-V345 HydrophobicContact CZ-CB 4.44Å; F308-V345 HydrophobicContact CZ-CG1 3.89Å; F308-I349 HydrophobicContact CB-CG2 3.67Å; F308-I349 HydrophobicContact CD2-CB 4.42Å; F308-I349 HydrophobicContact CD2-CG2 3.94Å; F308-I349 HydrophobicContact CG-CB 4.44Å; F308-I349 HydrophobicContact CG-CG2 3.83Å; F308-F358 HydrophobicContact CB-CD1 3.7Å; F308-F358 HydrophobicContact CB-CE1 3.91Å; F308-F358 HydrophobicContact CB-CG 4.47Å; F308-F358 HydrophobicContact CD1-CD1 4.14Å; F308-F358 HydrophobicContact CD1-CD2 4.46Å; F308-F358 HydrophobicContact CD1-CG 4.1Å; F308-F358 HydrophobicContact CG-CD1 4.43Å; F308-P359 WeakPolarHBondContact O-CD 3.42Å; F308-I394 HydrophobicContact CE1-CD1 4.32Å; F308-I438 HydrophobicContact CD2-CB 4.15Å; F308-I438 HydrophobicContact CD2-CG2 3.97Å; F308-I438 HydrophobicContact CE2-CG2 4.26Å; F308-L440 HydrophobicContact CE2-CB 3.69Å; F308-L440 HydrophobicContact CE2-CD2 4.34Å; F308-L440 HydrophobicContact CZ-CB 3.95Å; F308-L440 HydrophobicContact CZ-CD2 3.82Å
309	T	98.3	Very high	95.8	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.08	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.4	173.9	-63.5	0	0	0	0	110	P359 L361 V420 I438 L439 L440	T309-P359 WeakPolarHBondContact CA-O 3.42Å; T309-P359 HydrophobicContact CG2-CB 4.14Å; T309-L361 HydrophobicContact CG2-CD1 4.31Å; T309-V420 HydrophobicContact CG2-CG2 3.84Å; T309-I438 PolarHBondContact N-O 3.41Å; T309-L439 HydrophobicContact CG2-CD1 3.99Å; T309-L439 WeakPolarHBondContact O-CA 3.5Å; T309-L440 PolarHBondContact O-N 2.67Å
310	V	98.6	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.7	177.4	-174.7	0	0	0	0	110.4	F308 I312 I342 P359 L361 I394 L440 I442	F308-V310 HydrophobicContact CD1-CG2 4.11Å; F308-V310 HydrophobicContact CE1-CG2 3.37Å; F308-V310 HydrophobicContact CE2-CG2 4.34Å; F308-V310 HydrophobicContact CZ-CG2 3.51Å; V310-I312 HydrophobicContact CG1-CD1 4.25Å; V310-I312 HydrophobicContact CG1-CG1 3.82Å; V310-I342 HydrophobicContact CG1-CG1 4.28Å; V310-P359 PolarHBondContact N-O 3.24Å; V310-L361 PolarHBondContact O-N 3.21Å; V310-I394 HydrophobicContact CG2-CD1 3.78Å; V310-L440 CarbonylContact C-O 3.54Å; V310-L440 WeakPolarHBondContact CA-O 3.47Å; V310-L440 HydrophobicContact CG1-CD2 4.36Å; V310-L440 HydrophobicContact CG2-CD2 4.41Å; V310-I442 HydrophobicContact CG1-CD1 4.43Å
311	G	98.3	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.2	172	0	0	0	0	0	111.2	L361 L440 I441 I442	G311-L361 CarbonylContact C-O 3.57Å; G311-L361 WeakPolarHBondContact CA-O 3.41Å; G311-L440 PolarHBondContact N-O 3.09Å; G311-I441 WeakPolarHBondContact O-CA 3.3Å; G311-I442 PolarHBondContact O-N 3.15Å
312	I	98.4	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.7	-175.6	-53.5	-180	0	0	0	109.5	V310 F314 Y338 I342 L361 G362 F363 I379 Y398	V310-I312 HydrophobicContact CG1-CD1 4.25Å; V310-I312 HydrophobicContact CG1-CG1 3.82Å; I312-F314 HydrophobicContact CB-CD2 4.37Å; I312-F314 HydrophobicContact CB-CE2 3.72Å; I312-F314 HydrophobicContact CB-CZ 4.03Å; I312-F314 HydrophobicContact CG2-CD2 4.21Å; I312-F314 HydrophobicContact CG2-CE1 4.01Å; I312-F314 HydrophobicContact CG2-CE2 3.67Å; I312-F314 HydrophobicContact CG2-CZ 3.57Å; I312-F314 VanDerWaalsContact O-CD2 3.28Å; I312-F314 WeakPolarHBondContact O-CD2 3.37Å; I312-Y338 HydrophobicContact CG2-CD1 3.77Å; I312-Y338 HydrophobicContact CG2-CE1 3.93Å; I312-I342 HydrophobicContact CD1-CD1 3.86Å; I312-L361 PolarHBondContact N-O 3.25Å; I312-G362 CarbonylContact O-C 3.3Å; I312-G362 VanDerWaalsContact O-CA 3.28Å; I312-G362 WeakPolarHBondContact O-CA 3.28Å; I312-F363 VanDerWaalsContact C-CE1 3.47Å; I312-F363 WeakPolarHBondContact O-CD1 2.97Å; I312-F363 PolarHBondContact O-N 3.11Å; I312-I379 HydrophobicContact CD1-CD1 3.98Å; I312-Y398 HydrophobicContact CD1-CD2 3.63Å; I312-Y398 HydrophobicContact CD1-CE2 4.39Å; I312-Y398 HydrophobicContact CD1-CG 4.35Å; I312-Y398 HydrophobicContact CG2-CD2 4.06Å; I312-Y398 HydrophobicContact CG2-CE2 3.87Å
313	D	97.7	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.2	172	-168.4	-18.9	0	0	0	110.3	T315 H328 Y338 F363 T411 I442 T443	D313-T315 WeakPolarHBondContact OD1-CB 3.29Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.44Å; D313-T315 PolarHBondContact OD1-N 2.87Å; D313-T315 PolarHBondContact OD1-OG1 2.88Å; D313-H328 PolarHBondContact O-CE1 2.98Å; D313-H328 PolarHBondContact O-NE2 3.14Å; D313-Y338 HydrophobicContact CB-CE1 4.35Å; D313-Y338 PolarHBondContact O-OH 3.13Å; D313-F363 VanDerWaalsContact CA-CZ 3.49Å; D313-F363 HydrophobicContact CB-CE1 4.26Å; D313-F363 HydrophobicContact CB-CE2 3.67Å; D313-F363 HydrophobicContact CB-CZ 3.5Å; D313-T411 WeakPolarHBondContact OD2-CG2 3.05Å; D313-I442 WeakPolarHBondContact CB-O 3.38Å; D313-I442 PolarHBondContact N-O 3.49Å; D313-T443 WeakPolarHBondContact OD2-CB 3.4Å; D313-T443 PolarHBondContact OD2-OG1 2.98Å
314	F	97.6	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.205	C	C	.	.			trans	-122.8	33	173.8	-67.3	-74.9	0	0	0	111.2	I312 H328 F363 A365 F377 I379 Y398 C401 L402 I405 F407	I312-F314 HydrophobicContact CB-CD2 4.37Å; I312-F314 HydrophobicContact CB-CE2 3.72Å; I312-F314 HydrophobicContact CB-CZ 4.03Å; I312-F314 HydrophobicContact CG2-CD2 4.21Å; I312-F314 HydrophobicContact CG2-CE1 4.01Å; I312-F314 HydrophobicContact CG2-CE2 3.67Å; I312-F314 HydrophobicContact CG2-CZ 3.57Å; I312-F314 VanDerWaalsContact O-CD2 3.28Å; I312-F314 WeakPolarHBondContact O-CD2 3.37Å; F314-H328 AromaticContact CD1-CE1 3.56Å; F314-H328 AromaticContact CD1-NE2 3.93Å; F314-H328 AromaticContact CE1-CE1 3.75Å; F314-H328 AromaticContact CE1-ND1 3.99Å; F314-F363 PolarHBondContact N-O 3.26Å; F314-A365 HydrophobicContact CB-CB 3.83Å; F314-F377 HydrophobicContact CD2-CE1 4.21Å; F314-F377 AromaticContact CD2-CZ 3.69Å; F314-F377 HydrophobicContact CD2-CZ 3.69Å; F314-F377 AromaticContact CE2-CZ 3.97Å; F314-F377 HydrophobicContact CE2-CZ 3.97Å; F314-F377 HydrophobicContact CG-CZ 4.48Å; F314-I379 HydrophobicContact CE2-CG2 3.9Å; F314-I379 HydrophobicContact CZ-CG2 4.36Å; F314-Y398 HydrophobicContact CE1-CD2 4.11Å; F314-Y398 AromaticContact CE1-CE2 3.92Å; F314-Y398 HydrophobicContact CE1-CE2 3.92Å; F314-Y398 AromaticContact CZ-CD2 3.92Å; F314-Y398 HydrophobicContact CZ-CD2 3.92Å; F314-Y398 HydrophobicContact CZ-CE2 4.15Å; F314-C401 VanDerWaalsContact CZ-SG 3.5Å; F314-L402 HydrophobicContact CD1-CD2 4.09Å; F314-L402 HydrophobicContact CE1-CD2 3.65Å; F314-I405 HydrophobicContact CB-CD1 3.96Å; F314-I405 HydrophobicContact CD1-CD1 3.47Å; F314-I405 VanDerWaalsContact CD1-CD1 3.47Å; F314-I405 HydrophobicContact CD2-CD1 4.06Å; F314-I405 HydrophobicContact CE1-CD1 3.84Å; F314-I405 HydrophobicContact CE2-CD1 4.39Å; F314-I405 HydrophobicContact CG-CD1 3.57Å; F314-I405 HydrophobicContact CZ-CD1 4.28Å; F314-F407 HydrophobicContact CB-CD1 4.02Å; F314-F407 HydrophobicContact CB-CE1 4.13Å; F314-F407 HydrophobicContact CD1-CD1 4.39Å; F314-F407 AromaticContact CD1-CE1 3.66Å; F314-F407 HydrophobicContact CD1-CE1 3.66Å; F314-F407 HydrophobicContact CD1-CZ 4.09Å; F314-F407 HydrophobicContact CG-CE1 4.35Å; F314-F407 WeakPolarHBondContact O-CA 3.22Å; F314-F407 WeakPolarHBondContact O-CB 3.39Å; F314-F407 WeakPolarHBondContact O-CD1 3.5Å; F314-F407 WeakPolarHBondContact O-CG 3.25Å
315	T	96.4	Very high	95.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-75.3	157.3	178.3	58.2	0	0	0	0	112.3	D313 S317 N318 Y408 T411	D313-T315 WeakPolarHBondContact OD1-CB 3.29Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.44Å; D313-T315 PolarHBondContact OD1-N 2.87Å; D313-T315 PolarHBondContact OD1-OG1 2.88Å; T315-S317 PolarHBondContact O-N 3.13Å; T315-S317 PolarHBondContact OG1-OG 3Å; T315-N318 WeakPolarHBondContact O-CB 3.39Å; T315-N318 PolarHBondContact O-N 2.64Å; T315-N318 PolarHBondContact O-ND2 2.87Å; T315-N318 VanDerWaalsContact O-ND2 3.13Å; T315-Y408 CarbonylContact C-O 3.29Å; T315-Y408 WeakPolarHBondContact CA-O 3.32Å; T315-Y408 VanDerWaalsContact CB-O 3.29Å; T315-Y408 WeakPolarHBondContact CB-O 3.47Å; T315-T411 HydrophobicContact CG2-CG2 4.42Å; T315-T411 WeakPolarHBondContact CG2-OG1 3.3Å
316	A	95.1	Very high	95.9	Very high	57 Å²	57	36 Å²	36	47%	0.471	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.4	-18.6	-172.9	0	0	0	0	0	113.7	N318 G319 F407 Y408	A316-N318 PolarHBondContact O-N 2.64Å; A316-G319 PolarHBondContact O-N 2.95Å; A316-G319 VanDerWaalsContact O-N 3.09Å; A316-F407 HydrophobicContact CB-CB 4.42Å; A316-Y408 PolarHBondContact N-O 2.92Å
317	S	94.4	Very high	95.9	Very high	74 Å²	74	37.8 Å²	37.8	52%	0.517	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.1	-27.9	173	43.2	0	0	0	0	112.4	T315 G319 D444	T315-S317 PolarHBondContact O-N 3.13Å; T315-S317 PolarHBondContact OG1-OG 3Å; S317-G319 PolarHBondContact O-N 3.4Å; S317-D444 WeakPolarHBondContact CB-OD2 3.43Å; S317-D444 VanDerWaalsContact OG-CG 3.29Å; S317-D444 PolarHBondContact OG-OD1 3.14Å; S317-D444 PolarHBondContact OG-OD2 2.76Å
318	N	95.6	Very high	95.9	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-70.9	-12.1	177.8	-71.7	-80.6	0	0	0	115	T315 A316 S326 L327 H328 Y338 F407 D444	T315-N318 WeakPolarHBondContact O-CB 3.39Å; T315-N318 PolarHBondContact O-N 2.64Å; T315-N318 PolarHBondContact O-ND2 2.87Å; T315-N318 VanDerWaalsContact O-ND2 3.13Å; A316-N318 PolarHBondContact O-N 2.64Å; N318-S326 VanDerWaalsContact O-CA 3.24Å; N318-S326 WeakPolarHBondContact O-CA 3.42Å; N318-S326 VanDerWaalsContact O-CB 3.32Å; N318-S326 WeakPolarHBondContact O-CB 3.38Å; N318-S326 PolarHBondContact O-OG 2.87Å; N318-L327 HydrophobicContact CB-CB 4.47Å; N318-L327 PolarHBondContact O-N 3.41Å; N318-L327 VanDerWaalsContact O-N 3.13Å; N318-L327 WeakPolarHBondContact OD1-CB 3.49Å; N318-L327 WeakPolarHBondContact OD1-CD1 3.31Å; N318-H328 VanDerWaalsContact CB-CD2 3.43Å; N318-H328 WeakPolarHBondContact CB-CD2 3.38Å; N318-Y338 PolarHBondContact ND2-OH 2.82Å; N318-Y338 WeakPolarHBondContact OD1-CE2 3.11Å; N318-Y338 PolarHBondContact OD1-OH 3.5Å; N318-F407 HydrophobicContact CB-CD2 4.29Å; N318-F407 HydrophobicContact CB-CE2 4.24Å; N318-D444 PolarHBondContact N-OD2 2.84Å; N318-D444 VanDerWaalsContact N-OD2 3.16Å; N318-D444 PolarHBondContact ND2-OD1 3.27Å; N318-D444 PolarHBondContact ND2-OD2 3.25Å; N318-D444 VanDerWaalsContact OD1-CB 3.26Å; N318-D444 WeakPolarHBondContact OD1-CB 3.47Å; N318-D444 VanDerWaalsContact OD1-CG 3.27Å
319	G	94.1	Very high	95.8	Very high	30 Å²	30	39.6 Å²	39.6	31%	0.309	24%	0.243	S	C	.	.			trans	74.8	173.5	-174.9	0	0	0	0	0	114.1	A316 S317 S326 F407	A316-G319 PolarHBondContact O-N 2.95Å; A316-G319 VanDerWaalsContact O-N 3.09Å; S317-G319 PolarHBondContact O-N 3.4Å; G319-S326 PolarHBondContact O-OG 2.95Å; G319-F407 WeakPolarHBondContact O-CD2 3.14Å; G319-F407 WeakPolarHBondContact O-CE2 3.4Å
320	N	93	Very high	95.6	Very high	97 Å²	97	41.7 Å²	41.7	52%	0.519	25%	0.253	S	S	.	.			trans	-69.7	126.2	-177.9	-177.6	-27.5	0	0	0	110.6	L322 D323 S326	N320-L322 PolarHBondContact O-N 3.34Å; N320-L322 WeakPolarHBondContact OD1-CB 3.47Å; N320-L322 PolarHBondContact OD1-N 3.13Å; N320-D323 HydrophobicContact CB-CB 4.43Å; N320-D323 WeakPolarHBondContact O-CB 3.48Å; N320-D323 PolarHBondContact O-N 2.94Å; N320-S326 WeakPolarHBondContact O-CB 3.47Å; N320-S326 PolarHBondContact O-OG 2.73Å
321	P	92.6	Very high	95.2	Very high	28 Å²	28	43.7 Å²	43.7	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.1	-176	26.1	-35.4	0	0	0	114.5	H328 L402 F407	P321-H328 HydrophobicContact CB-CB 3.95Å; P321-L402 HydrophobicContact CB-CD2 4.23Å; P321-F407 HydrophobicContact CB-CE2 4.3Å; P321-F407 HydrophobicContact CB-CZ 3.99Å; P321-F407 HydrophobicContact CG-CE1 4.35Å; P321-F407 HydrophobicContact CG-CE2 4.17Å; P321-F407 HydrophobicContact CG-CZ 3.82Å
322	L	91.4	Very high	94.9	Very high	142 Å²	142	49.7 Å²	49.7	74%	0.743	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.5	172.9	-59.5	178.9	0	0	0	113.3	N320	N320-L322 PolarHBondContact O-N 3.34Å; N320-L322 WeakPolarHBondContact OD1-CB 3.47Å; N320-L322 PolarHBondContact OD1-N 3.13Å
323	D	95.3	Very high	94.3	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	34%	0.34	S	S	.	.	S	Bend	trans	-87.1	125.5	179.6	-168.8	-27.9	0	0	0	110.3	N320 S325 S326 Y329	N320-D323 HydrophobicContact CB-CB 4.43Å; N320-D323 WeakPolarHBondContact O-CB 3.48Å; N320-D323 PolarHBondContact O-N 2.94Å; D323-S325 PolarHBondContact O-N 2.81Å; D323-S325 PolarHBondContact OD1-N 3.46Å; D323-S325 PolarHBondContact OD1-OG 2.93Å; D323-S326 VanDerWaalsContact O-CB 3.3Å; D323-S326 WeakPolarHBondContact O-CB 3.2Å; D323-S326 PolarHBondContact O-N 2.74Å; D323-Y329 VanDerWaalsContact O-CB 3.28Å; D323-Y329 WeakPolarHBondContact O-CB 3.4Å
324	P	94.9	Very high	93.8	Very high	91 Å²	91	59.6 Å²	59.6	59%	0.591	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-21.1	174.6	-28.7	36.3	0	0	0	116.4	Y329	P324-Y329 HydrophobicContact CB-CD1 4.32Å; P324-Y329 HydrophobicContact CB-CE1 4.11Å; P324-Y329 HydrophobicContact CG-CE1 4.43Å; P324-Y329 HydrophobicContact CG-CE2 4.16Å
325	S	94.1	Very high	93.5	Very high	99 Å²	99	61.5 Å²	61.5	69%	0.692	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.1	175.3	69.8	0	0	0	0	114.4	D323	D323-S325 PolarHBondContact O-N 2.81Å; D323-S325 PolarHBondContact OD1-N 3.46Å; D323-S325 PolarHBondContact OD1-OG 2.93Å
326	S	96.4	Very high	93.4	Very high	10 Å²	10	62.1 Å²	62.1	7%	0.07	38%	0.378	C	S	.	.	S	Bend	trans	-72.5	144.7	179.2	174.9	0	0	0	0	111.9	N318 G319 N320 D323 H328 Y329	N318-S326 VanDerWaalsContact O-CA 3.24Å; N318-S326 WeakPolarHBondContact O-CA 3.42Å; N318-S326 VanDerWaalsContact O-CB 3.32Å; N318-S326 WeakPolarHBondContact O-CB 3.38Å; N318-S326 PolarHBondContact O-OG 2.87Å; G319-S326 PolarHBondContact O-OG 2.95Å; N320-S326 WeakPolarHBondContact O-CB 3.47Å; N320-S326 PolarHBondContact O-OG 2.73Å; D323-S326 VanDerWaalsContact O-CB 3.3Å; D323-S326 WeakPolarHBondContact O-CB 3.2Å; D323-S326 PolarHBondContact O-N 2.74Å; S326-H328 PolarHBondContact O-N 2.79Å; S326-H328 PolarHBondContact OG-N 2.94Å; S326-H328 VanDerWaalsContact OG-N 3.14Å; S326-Y329 VanDerWaalsContact O-CB 3.28Å; S326-Y329 WeakPolarHBondContact O-CB 2.95Å; S326-Y329 PolarHBondContact O-N 2.87Å; S326-Y329 VanDerWaalsContact O-N 3.14Å
327	L	96.4	Very high	93.4	Very high	39 Å²	39	60.8 Å²	60.8	20%	0.204	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21	173.9	-62.1	173.8	0	0	0	112.6	N318 Y338 D444 V472	N318-L327 HydrophobicContact CB-CB 4.47Å; N318-L327 PolarHBondContact O-N 3.41Å; N318-L327 VanDerWaalsContact O-N 3.13Å; N318-L327 WeakPolarHBondContact OD1-CB 3.49Å; N318-L327 WeakPolarHBondContact OD1-CD1 3.31Å; L327-Y338 HydrophobicContact CB-CE2 3.95Å; L327-D444 HydrophobicContact CD1-CB 3.32Å; L327-V472 HydrophobicContact CD1-CG2 4.3Å
328	H	97.4	Very high	93.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.6	172.4	-73.5	-80.1	0	0	0	113.8	D313 F314 N318 P321 S326 I330 N336 Y338 Y398 L402 F407	D313-H328 PolarHBondContact O-CE1 2.98Å; D313-H328 PolarHBondContact O-NE2 3.14Å; F314-H328 AromaticContact CD1-CE1 3.56Å; F314-H328 AromaticContact CD1-NE2 3.93Å; F314-H328 AromaticContact CE1-CE1 3.75Å; F314-H328 AromaticContact CE1-ND1 3.99Å; N318-H328 VanDerWaalsContact CB-CD2 3.43Å; N318-H328 WeakPolarHBondContact CB-CD2 3.38Å; P321-H328 HydrophobicContact CB-CB 3.95Å; S326-H328 PolarHBondContact O-N 2.79Å; S326-H328 PolarHBondContact OG-N 2.94Å; S326-H328 VanDerWaalsContact OG-N 3.14Å; H328-I330 PolarHBondContact O-N 3.22Å; H328-I330 VanDerWaalsContact O-N 3.09Å; H328-N336 PolarHBondContact O-ND2 2.97Å; H328-N336 VanDerWaalsContact O-ND2 3.15Å; H328-Y338 AromaticContact CE1-CD2 3.86Å; H328-Y338 AromaticContact CE1-CE1 3.78Å; H328-Y338 AromaticContact CE1-CE2 3.62Å; H328-Y338 AromaticContact CE1-CZ 3.59Å; H328-Y338 AromaticContact ND1-CD2 3.94Å; H328-Y338 AromaticContact NE2-CE2 3.64Å; H328-Y338 AromaticContact NE2-CZ 3.57Å; H328-Y398 AromaticContact CE1-CE2 3.92Å; H328-Y398 AromaticContact ND1-CE2 3.51Å; H328-Y398 AromaticContact ND1-CZ 3.52Å; H328-Y398 PolarHBondContact ND1-OH 3.02Å; H328-L402 HydrophobicContact CB-CD2 3.89Å; H328-F407 HydrophobicContact CB-CE2 3.94Å; H328-F407 HydrophobicContact CB-CZ 3.8Å; H328-F407 AromaticContact CD2-CE2 3.23Å; H328-F407 WeakPolarHBondContact CD2-CE2 3.26Å; H328-F407 AromaticContact CD2-CZ 3.38Å; H328-F407 WeakPolarHBondContact CD2-CZ 3.47Å; H328-F407 AromaticContact CG-CE2 3.76Å; H328-F407 AromaticContact CG-CZ 3.56Å; H328-F407 AromaticContact NE2-CZ 4Å
329	Y	96.6	Very high	93.6	Very high	68 Å²	68	57.3 Å²	57.3	27%	0.267	34%	0.338	S	S	.	.			trans	-62.1	116.1	178.4	176.8	-106.1	0	0	0	110.9	D323 P324 S326 N331 N336	D323-Y329 VanDerWaalsContact O-CB 3.28Å; D323-Y329 WeakPolarHBondContact O-CB 3.4Å; P324-Y329 HydrophobicContact CB-CD1 4.32Å; P324-Y329 HydrophobicContact CB-CE1 4.11Å; P324-Y329 HydrophobicContact CG-CE1 4.43Å; P324-Y329 HydrophobicContact CG-CE2 4.16Å; S326-Y329 VanDerWaalsContact O-CB 3.28Å; S326-Y329 WeakPolarHBondContact O-CB 2.95Å; S326-Y329 PolarHBondContact O-N 2.87Å; S326-Y329 VanDerWaalsContact O-N 3.14Å; Y329-N331 HydrophobicContact CD1-CB 4.38Å; Y329-N331 HydrophobicContact CE1-CB 4.15Å; Y329-N331 PolarHBondContact O-N 3.36Å; Y329-N336 WeakPolarHBondContact O-CB 3.12Å
330	I	93.5	Very high	93.6	Very high	56 Å²	56	57.6 Å²	57.6	29%	0.287	34%	0.335	S	S	.	.			trans	-77.4	109.2	173.8	-59.9	178	0	0	0	107.2	H328 L339 L402	H328-I330 PolarHBondContact O-N 3.22Å; H328-I330 VanDerWaalsContact O-N 3.09Å; I330-L339 HydrophobicContact CG1-CD1 4.47Å; I330-L402 HydrophobicContact CD1-CD1 3.95Å; I330-L402 HydrophobicContact CG1-CD1 4.22Å
331	N	90.6	Very high	93.6	Very high	43 Å²	43	53 Å²	53	23%	0.23	31%	0.311	C	S	.	.			trans	-66.6	168.7	-179	72.5	24.5	0	0	0	111.8	Y329 M333 G334 T335	Y329-N331 HydrophobicContact CD1-CB 4.38Å; Y329-N331 HydrophobicContact CE1-CB 4.15Å; Y329-N331 PolarHBondContact O-N 3.36Å; N331-M333 PolarHBondContact O-N 3.31Å; N331-M333 WeakPolarHBondContact OD1-CA 3.4Å; N331-M333 WeakPolarHBondContact OD1-CB 3.23Å; N331-M333 PolarHBondContact OD1-N 2.93Å; N331-G334 WeakPolarHBondContact O-CA 3.29Å; N331-G334 PolarHBondContact O-N 3.48Å; N331-G334 PolarHBondContact OD1-N 3.17Å; N331-T335 PolarHBondContact N-O 2.88Å; N331-T335 WeakPolarHBondContact ND2-CG2 3.18Å; N331-T335 PolarHBondContact ND2-O 3.13Å; N331-T335 VanDerWaalsContact ND2-O 3.12Å; N331-T335 PolarHBondContact OD1-N 3.37Å; N331-T335 VanDerWaalsContact OD1-N 3.12Å; N331-T335 PolarHBondContact OD1-O 2.77Å
332	P	90.4	Very high	93.8	Very high	126 Å²	126	51.7 Å²	51.7	82%	0.818	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.8	179.1	-27.4	36.3	0	0	0	115.5	G334	P332-G334 VanDerWaalsContact C-N 3.27Å
333	M	86.9	Confident	94	Very high	160 Å²	160	48.6 Å²	48.6	79%	0.788	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	2.4	172.8	-58.1	-174.8	-69.2	0	0	112.7	N331	N331-M333 PolarHBondContact O-N 3.31Å; N331-M333 WeakPolarHBondContact OD1-CA 3.4Å; N331-M333 WeakPolarHBondContact OD1-CB 3.23Å; N331-M333 PolarHBondContact OD1-N 2.93Å
334	G	86.8	Confident	93.8	Very high	47 Å²	47	45.7 Å²	45.7	49%	0.485	27%	0.267	S	S	.	.	S	Bend	trans	78.8	25.4	177.4	0	0	0	0	0	114.5	N331 P332	N331-G334 WeakPolarHBondContact O-CA 3.29Å; N331-G334 PolarHBondContact O-N 3.48Å; N331-G334 PolarHBondContact OD1-N 3.17Å; P332-G334 VanDerWaalsContact C-N 3.27Å
335	T	90.8	Very high	93.6	Very high	41 Å²	41	41.4 Å²	41.4	25%	0.252	24%	0.24	S	C	.	.			trans	-139.2	162.7	-176.5	-165.5	0	0	0	0	114	N331 S340	N331-T335 PolarHBondContact N-O 2.88Å; N331-T335 WeakPolarHBondContact ND2-CG2 3.18Å; N331-T335 PolarHBondContact ND2-O 3.13Å; N331-T335 VanDerWaalsContact ND2-O 3.12Å; N331-T335 PolarHBondContact OD1-N 3.37Å; N331-T335 VanDerWaalsContact OD1-N 3.12Å; N331-T335 PolarHBondContact OD1-O 2.77Å; T335-S340 PolarHBondContact OG1-OG 2.91Å
336	N	95.1	Very high	93.6	Very high	16 Å²	16	36.7 Å²	36.7	9%	0.086	21%	0.207	C	C	.	.			trans	-152.1	-177.7	168.3	62.2	27.8	0	0	0	109.3	H328 Y329 Y338 L339 S340 Y398	H328-N336 PolarHBondContact O-ND2 2.97Å; H328-N336 VanDerWaalsContact O-ND2 3.15Å; Y329-N336 WeakPolarHBondContact O-CB 3.12Å; N336-Y338 VanDerWaalsContact C-N 3.35Å; N336-Y338 PolarHBondContact O-N 3.4Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.26Å; N336-Y338 PolarHBondContact OD1-N 3.28Å; N336-L339 PolarHBondContact OD1-N 3.3Å; N336-S340 WeakPolarHBondContact O-CB 3.34Å; N336-S340 PolarHBondContact O-N 3.32Å; N336-S340 PolarHBondContact O-OG 2.81Å; N336-Y398 PolarHBondContact ND2-OH 3.27Å
337	E	95.3	Very high	93.5	Very high	29 Å²	29	39.3 Å²	39.3	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-36.9	-177.9	-60.4	-167.2	175.3	0	0	112.1	S340 A341 V472 G473 F508 R512	E337-S340 PolarHBondContact O-N 2.94Å; E337-A341 WeakPolarHBondContact O-CB 3.45Å; E337-A341 PolarHBondContact O-N 3.39Å; E337-V472 HydrophobicContact CB-CB 3.9Å; E337-V472 HydrophobicContact CB-CG1 3.64Å; E337-V472 WeakPolarHBondContact OE2-CA 3.43Å; E337-V472 WeakPolarHBondContact OE2-CB 3.35Å; E337-G473 PolarHBondContact OE2-N 3.38Å; E337-F508 HydrophobicContact CB-CD1 3.94Å; E337-F508 HydrophobicContact CB-CE1 3.95Å; E337-F508 HydrophobicContact CB-CG 4.33Å; E337-F508 HydrophobicContact CB-CZ 4.33Å; E337-F508 VanDerWaalsContact CD-CD1 3.48Å; E337-F508 HydrophobicContact CG-CD1 3.72Å; E337-F508 HydrophobicContact CG-CE1 3.6Å; E337-F508 HydrophobicContact CG-CZ 4.35Å; E337-R512 IonicContact OE1-CZ 2.64Å; E337-R512 IonicContact OE1-NE 2.93Å; E337-R512 PolarHBondContact OE1-NE 3.17Å; E337-R512 IonicContact OE1-NH2 2.85Å; E337-R512 PolarHBondContact OE1-NH2 2.85Å; E337-R512 IonicContact OE2-NH2 3.18Å
338	Y	97.3	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-53.1	174.9	-76.6	-92	0	0	0	112.3	I312 D313 N318 L327 H328 N336 S340 A341 I342 Y398 I442 V472	I312-Y338 HydrophobicContact CG2-CD1 3.77Å; I312-Y338 HydrophobicContact CG2-CE1 3.93Å; D313-Y338 HydrophobicContact CB-CE1 4.35Å; D313-Y338 PolarHBondContact O-OH 3.13Å; N318-Y338 PolarHBondContact ND2-OH 2.82Å; N318-Y338 WeakPolarHBondContact OD1-CE2 3.11Å; N318-Y338 PolarHBondContact OD1-OH 3.5Å; L327-Y338 HydrophobicContact CB-CE2 3.95Å; H328-Y338 AromaticContact CE1-CD2 3.86Å; H328-Y338 AromaticContact CE1-CE1 3.78Å; H328-Y338 AromaticContact CE1-CE2 3.62Å; H328-Y338 AromaticContact CE1-CZ 3.59Å; H328-Y338 AromaticContact ND1-CD2 3.94Å; H328-Y338 AromaticContact NE2-CE2 3.64Å; H328-Y338 AromaticContact NE2-CZ 3.57Å; N336-Y338 VanDerWaalsContact C-N 3.35Å; N336-Y338 PolarHBondContact O-N 3.4Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.26Å; N336-Y338 PolarHBondContact OD1-N 3.28Å; Y338-S340 VanDerWaalsContact C-N 3.28Å; Y338-S340 PolarHBondContact O-N 3.13Å; Y338-A341 PolarHBondContact O-N 3.23Å; Y338-I342 VanDerWaalsContact O-CG1 3.31Å; Y338-I342 WeakPolarHBondContact O-CG1 3.24Å; Y338-I342 PolarHBondContact O-N 3.4Å; Y338-Y398 WeakPolarHBondContact CB-OH 3.3Å; Y338-Y398 HydrophobicContact CG-CE2 4.46Å; Y338-I442 HydrophobicContact CD1-CB 3.79Å; Y338-I442 HydrophobicContact CD1-CG2 3.35Å; Y338-I442 HydrophobicContact CE1-CB 3.97Å; Y338-I442 HydrophobicContact CE1-CG2 3.61Å; Y338-I442 HydrophobicContact CG-CG2 4.06Å; Y338-V472 HydrophobicContact CD2-CG2 4.12Å; Y338-V472 HydrophobicContact CE1-CG2 4.32Å; Y338-V472 HydrophobicContact CE2-CG2 3.52Å
339	L	95.8	Very high	93.3	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-42.7	176.5	-79	169.9	0	0	0	110.8	I330 N336 A341 I342 W343 A395 Y398	I330-L339 HydrophobicContact CG1-CD1 4.47Å; N336-L339 PolarHBondContact OD1-N 3.3Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.75Å; L339-I342 PolarHBondContact O-N 2.67Å; L339-W343 PolarHBondContact O-N 3.27Å; L339-A395 HydrophobicContact CD2-CB 3.72Å; L339-Y398 HydrophobicContact CD1-CD1 4.29Å; L339-Y398 HydrophobicContact CD1-CE1 4.08Å; L339-Y398 HydrophobicContact CD2-CD1 3.69Å; L339-Y398 HydrophobicContact CD2-CE1 4.13Å; L339-Y398 HydrophobicContact CG-CD1 3.81Å; L339-Y398 HydrophobicContact CG-CE1 3.71Å
340	S	93.9	Very high	93.2	Very high	35 Å²	35	35.5 Å²	35.5	25%	0.245	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-41.5	178.6	-59.2	0	0	0	0	112.1	T335 N336 E337 Y338 A344	T335-S340 PolarHBondContact OG1-OG 2.91Å; N336-S340 WeakPolarHBondContact O-CB 3.34Å; N336-S340 PolarHBondContact O-N 3.32Å; N336-S340 PolarHBondContact O-OG 2.81Å; E337-S340 PolarHBondContact O-N 2.94Å; Y338-S340 VanDerWaalsContact C-N 3.28Å; Y338-S340 PolarHBondContact O-N 3.13Å; S340-A344 VanDerWaalsContact O-CB 3.28Å; S340-A344 WeakPolarHBondContact O-CB 3.42Å; S340-A344 PolarHBondContact O-N 2.83Å
341	A	95	Very high	93.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-43.9	175	0	0	0	0	0	112.6	E337 Y338 L339 W343 A344 V345 I442 V470	E337-A341 WeakPolarHBondContact O-CB 3.45Å; E337-A341 PolarHBondContact O-N 3.39Å; Y338-A341 PolarHBondContact O-N 3.23Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.75Å; A341-W343 VanDerWaalsContact C-N 3.31Å; A341-W343 PolarHBondContact O-N 3.1Å; A341-A344 PolarHBondContact O-N 2.96Å; A341-V345 PolarHBondContact O-N 3.25Å; A341-V345 VanDerWaalsContact O-N 3.17Å; A341-I442 HydrophobicContact CB-CD1 3.88Å; A341-I442 HydrophobicContact CB-CG1 4.25Å; A341-I442 HydrophobicContact CB-CG2 4.37Å; A341-V470 HydrophobicContact CB-CB 4.26Å; A341-V470 HydrophobicContact CB-CG1 3.84Å; A341-V470 HydrophobicContact CB-CG2 4.47Å
342	I	96.1	Very high	93.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-48.2	174.7	-68.8	166	0	0	0	110.3	V310 I312 Y338 L339 G346 V391 I394 I442	V310-I342 HydrophobicContact CG1-CG1 4.28Å; I312-I342 HydrophobicContact CD1-CD1 3.86Å; Y338-I342 VanDerWaalsContact O-CG1 3.31Å; Y338-I342 WeakPolarHBondContact O-CG1 3.24Å; Y338-I342 PolarHBondContact O-N 3.4Å; L339-I342 PolarHBondContact O-N 2.67Å; I342-G346 WeakPolarHBondContact O-CA 3.2Å; I342-G346 PolarHBondContact O-N 3.09Å; I342-V391 HydrophobicContact CG2-CG1 3.86Å; I342-I394 HydrophobicContact CD1-CG2 4.29Å; I342-I394 HydrophobicContact CG2-CB 4.32Å; I342-I394 HydrophobicContact CG2-CG2 3.95Å; I342-I442 HydrophobicContact CD1-CD1 4.33Å; I342-I442 HydrophobicContact CG1-CD1 3.53Å
343	W	94.3	Very high	93.7	Very high	77 Å²	77	26.3 Å²	26.3	29%	0.292	15%	0.146	S	C	.	.	H	α-helix	trans	-67	-44.1	179.4	-72.5	117.7	0	0	0	112.7	L339 A341 V345 Q347 V391 D392 A395	L339-W343 PolarHBondContact O-N 3.27Å; A341-W343 VanDerWaalsContact C-N 3.31Å; A341-W343 PolarHBondContact O-N 3.1Å; W343-V345 VanDerWaalsContact C-N 3.33Å; W343-V345 PolarHBondContact O-N 2.88Å; W343-Q347 HydrophobicContact CE3-CG 3.78Å; W343-Q347 HydrophobicContact CZ3-CG 4.42Å; W343-Q347 WeakPolarHBondContact O-CB 3.13Å; W343-Q347 WeakPolarHBondContact O-CG 3.43Å; W343-Q347 PolarHBondContact O-N 2.99Å; W343-Q347 VanDerWaalsContact O-N 3.14Å; W343-V391 HydrophobicContact CD2-CG1 4.11Å; W343-V391 HydrophobicContact CE3-CB 4.08Å; W343-V391 HydrophobicContact CE3-CG1 3.42Å; W343-V391 VanDerWaalsContact CE3-CG1 3.42Å; W343-V391 HydrophobicContact CH2-CG1 4.49Å; W343-V391 HydrophobicContact CZ3-CB 3.82Å; W343-V391 HydrophobicContact CZ3-CG1 3.63Å; W343-D392 HydrophobicContact CH2-CB 4.15Å; W343-D392 VanDerWaalsContact CH2-OD1 3.23Å; W343-D392 WeakPolarHBondContact CH2-OD1 3.49Å; W343-A395 HydrophobicContact CH2-CB 4.36Å; W343-A395 HydrophobicContact CZ2-CB 3.63Å
344	A	91.3	Very high	93.9	Very high	17 Å²	17	22.8 Å²	22.8	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-41.9	-176.4	0	0	0	0	0	112.3	S340 A341 L519	S340-A344 VanDerWaalsContact O-CB 3.28Å; S340-A344 WeakPolarHBondContact O-CB 3.42Å; S340-A344 PolarHBondContact O-N 2.83Å; A341-A344 PolarHBondContact O-N 2.96Å; A344-L519 HydrophobicContact CB-CD2 3.75Å; A344-L519 HydrophobicContact CB-CG 4.15Å
345	V	91.4	Very high	94.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-86	-51.4	-179.6	-178.7	0	0	0	0	111	F308 A341 W343 Q347 I348 I349 L440 I468 V523 L524	F308-V345 HydrophobicContact CE2-CG1 3.8Å; F308-V345 HydrophobicContact CZ-CB 4.44Å; F308-V345 HydrophobicContact CZ-CG1 3.89Å; A341-V345 PolarHBondContact O-N 3.25Å; A341-V345 VanDerWaalsContact O-N 3.17Å; W343-V345 VanDerWaalsContact C-N 3.33Å; W343-V345 PolarHBondContact O-N 2.88Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 3.28Å; V345-I348 PolarHBondContact O-N 3.25Å; V345-I349 HydrophobicContact CG1-CG1 4.03Å; V345-I349 WeakPolarHBondContact O-CG1 3.33Å; V345-I349 PolarHBondContact O-N 2.78Å; V345-I349 VanDerWaalsContact O-N 3.13Å; V345-L440 HydrophobicContact CB-CD2 3.97Å; V345-L440 HydrophobicContact CG1-CD2 4.23Å; V345-L440 HydrophobicContact CG2-CD1 4.26Å; V345-L440 HydrophobicContact CG2-CD2 4.15Å; V345-I468 HydrophobicContact CG1-CD1 4.42Å; V345-V523 HydrophobicContact CG2-CB 4.25Å; V345-V523 HydrophobicContact CG2-CG1 3.42Å; V345-V523 VanDerWaalsContact CG2-CG1 3.42Å; V345-L524 HydrophobicContact CG1-CD2 4.11Å
346	G	94.7	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-37	-171.4	0	0	0	0	0	112.7	I342 I348 I349 Q350 V391	I342-G346 WeakPolarHBondContact O-CA 3.2Å; I342-G346 PolarHBondContact O-N 3.09Å; G346-I348 PolarHBondContact O-N 3.04Å; G346-I349 PolarHBondContact O-N 3.34Å; G346-Q350 VanDerWaalsContact O-CB 3.31Å; G346-Q350 WeakPolarHBondContact O-CB 3.28Å; G346-Q350 VanDerWaalsContact O-CG 3.29Å; G346-Q350 WeakPolarHBondContact O-CG 3.28Å; G346-Q350 PolarHBondContact O-N 2.88Å; G346-V391 WeakPolarHBondContact O-CG2 3.41Å
347	Q	94.3	Very high	94.5	Very high	64 Å²	64	28.7 Å²	28.7	30%	0.299	15%	0.152	S	C	.	.	H	α-helix	trans	-62.1	-29.1	-177.2	-79.3	-73.7	-10.8	0	0	113.4	V88 W343 V345 Q350	V88-Q347 HydrophobicContact CG2-CB 4.25Å; W343-Q347 HydrophobicContact CE3-CG 3.78Å; W343-Q347 HydrophobicContact CZ3-CG 4.42Å; W343-Q347 WeakPolarHBondContact O-CB 3.13Å; W343-Q347 WeakPolarHBondContact O-CG 3.43Å; W343-Q347 PolarHBondContact O-N 2.99Å; W343-Q347 VanDerWaalsContact O-N 3.14Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 3.28Å; Q347-Q350 WeakPolarHBondContact O-CG 3.01Å; Q347-Q350 PolarHBondContact O-NE2 2.88Å
348	I	94	Very high	94.6	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-87.3	-52.2	179.1	-66.3	161.6	0	0	0	109.8	F85 E86 V88 V345 G346 Q350 D351 Y352 A520 L524	F85-I348 WeakPolarHBondContact O-CG2 3.27Å; E86-I348 WeakPolarHBondContact O-CD1 3.39Å; V88-I348 HydrophobicContact CG2-CG1 3.59Å; V345-I348 PolarHBondContact O-N 3.25Å; G346-I348 PolarHBondContact O-N 3.04Å; I348-Q350 VanDerWaalsContact C-N 3.26Å; I348-Q350 PolarHBondContact O-N 2.8Å; I348-D351 PolarHBondContact O-N 2.75Å; I348-Y352 HydrophobicContact CG2-CE2 4.3Å; I348-Y352 WeakPolarHBondContact O-CD2 3.34Å; I348-Y352 VanDerWaalsContact O-CE2 3.32Å; I348-Y352 WeakPolarHBondContact O-CE2 3.24Å; I348-A520 HydrophobicContact CD1-CB 3.48Å; I348-A520 VanDerWaalsContact CD1-CB 3.48Å; I348-L524 HydrophobicContact CB-CD1 3.78Å; I348-L524 HydrophobicContact CD1-CD1 3.49Å; I348-L524 VanDerWaalsContact CD1-CD1 3.49Å; I348-L524 HydrophobicContact CG1-CD1 4.25Å; I348-L524 HydrophobicContact CG2-CD1 3.58Å
349	I	94.2	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-35.4	-175.1	-63.7	-56.9	0	0	0	112.1	F85 L306 F308 V345 G346 D351 Y352 I438 L524 L527	F85-I349 HydrophobicContact CE1-CD1 4.42Å; F85-I349 HydrophobicContact CE2-CD1 4.24Å; F85-I349 HydrophobicContact CZ-CD1 3.55Å; L306-I349 HydrophobicContact CB-CG2 4.31Å; L306-I349 HydrophobicContact CD1-CD1 4.29Å; F308-I349 HydrophobicContact CB-CG2 3.67Å; F308-I349 HydrophobicContact CD2-CB 4.42Å; F308-I349 HydrophobicContact CD2-CG2 3.94Å; F308-I349 HydrophobicContact CG-CB 4.44Å; F308-I349 HydrophobicContact CG-CG2 3.83Å; V345-I349 HydrophobicContact CG1-CG1 4.03Å; V345-I349 WeakPolarHBondContact O-CG1 3.33Å; V345-I349 PolarHBondContact O-N 2.78Å; V345-I349 VanDerWaalsContact O-N 3.13Å; G346-I349 PolarHBondContact O-N 3.34Å; I349-D351 PolarHBondContact O-N 3.42Å; I349-Y352 PolarHBondContact O-N 3.23Å; I349-I438 HydrophobicContact CD1-CD1 3.77Å; I349-I438 HydrophobicContact CG1-CD1 4.32Å; I349-I438 HydrophobicContact CG2-CD1 3.91Å; I349-L524 HydrophobicContact CD1-CD2 3.73Å; I349-L524 HydrophobicContact CG1-CD2 4.06Å; I349-L527 HydrophobicContact CD1-CD2 3.7Å
350	Q	95.7	Very high	94.8	Very high	20 Å²	20	28 Å²	28	9%	0.093	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.2	-19.9	-177.3	69.3	174.8	-37.4	0	0	114.3	G346 Q347 I348 Y352 K356 F358 V391	G346-Q350 VanDerWaalsContact O-CB 3.31Å; G346-Q350 WeakPolarHBondContact O-CB 3.28Å; G346-Q350 VanDerWaalsContact O-CG 3.29Å; G346-Q350 WeakPolarHBondContact O-CG 3.28Å; G346-Q350 PolarHBondContact O-N 2.88Å; Q347-Q350 WeakPolarHBondContact O-CG 3.01Å; Q347-Q350 PolarHBondContact O-NE2 2.88Å; I348-Q350 VanDerWaalsContact C-N 3.26Å; I348-Q350 PolarHBondContact O-N 2.8Å; Q350-Y352 PolarHBondContact O-N 3.46Å; Q350-K356 PolarHBondContact O-NZ 2.93Å; Q350-F358 HydrophobicContact CB-CE2 3.67Å; Q350-F358 HydrophobicContact CB-CZ 3.51Å; Q350-V391 HydrophobicContact CB-CG2 4.19Å; Q350-V391 HydrophobicContact CG-CG2 4.25Å
351	D	95.6	Very high	95	Very high	18 Å²	18	26.5 Å²	26.5	10%	0.096	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-74.3	-14.5	178.1	-75.1	-16.8	0	0	0	113.2	S117 T120 S123 I348 I349 K356	S117-D351 WeakPolarHBondContact CB-OD2 3.17Å; S117-D351 PolarHBondContact OG-OD2 3.41Å; T120-D351 PolarHBondContact OG1-OD1 2.8Å; S123-D351 WeakPolarHBondContact CB-O 3.22Å; S123-D351 PolarHBondContact OG-O 2.73Å; I348-D351 PolarHBondContact O-N 2.75Å; I349-D351 PolarHBondContact O-N 3.42Å; D351-K356 IonicContact OD1-NZ 3.95Å; D351-K356 PolarHBondContact OD1-NZ 2.89Å; D351-K356 VanDerWaalsContact OD1-NZ 3.15Å
352	Y	95.6	Very high	95.1	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.016	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-105.7	8.2	-179.8	-51.7	-85.4	0	0	0	112.7	Y83 F85 V122 I300 Q305 L306 I348 I349 Q350	Y83-Y352 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y352 VanDerWaalsContact OH-CE1 3.29Å; Y83-Y352 WeakPolarHBondContact OH-CE1 3.3Å; Y83-Y352 VanDerWaalsContact OH-CZ 3.26Å; Y83-Y352 PolarHBondContact OH-OH 2.96Å; F85-Y352 HydrophobicContact CD2-CE1 4.36Å; F85-Y352 AromaticContact CD2-CE2 3.84Å; F85-Y352 HydrophobicContact CD2-CE2 3.84Å; F85-Y352 AromaticContact CD2-CZ 3.73Å; F85-Y352 AromaticContact CE2-CD2 3.96Å; F85-Y352 HydrophobicContact CE2-CD2 3.96Å; F85-Y352 AromaticContact CE2-CE2 3.63Å; F85-Y352 HydrophobicContact CE2-CE2 3.63Å; F85-Y352 AromaticContact CE2-CZ 3.95Å; V122-Y352 HydrophobicContact CG2-CE1 4.04Å; I300-Y352 HydrophobicContact CD1-CD1 4.02Å; I300-Y352 HydrophobicContact CG1-CD1 4.25Å; I300-Y352 HydrophobicContact CG2-CD1 3.73Å; I300-Y352 HydrophobicContact CG2-CE1 4.03Å; Q305-Y352 WeakPolarHBondContact CA-O 3.23Å; L306-Y352 HydrophobicContact CD1-CD2 4.21Å; L306-Y352 HydrophobicContact CD1-CG 3.94Å; L306-Y352 HydrophobicContact CG-CG 4.45Å; L306-Y352 PolarHBondContact N-O 3.5Å; I348-Y352 HydrophobicContact CG2-CE2 4.3Å; I348-Y352 WeakPolarHBondContact O-CD2 3.34Å; I348-Y352 VanDerWaalsContact O-CE2 3.32Å; I348-Y352 WeakPolarHBondContact O-CE2 3.24Å; I349-Y352 PolarHBondContact O-N 3.23Å; Q350-Y352 PolarHBondContact O-N 3.46Å
353	D	94.2	Very high	95.2	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.048	14%	0.138	C	C	.	.			trans	-114.5	130.7	170.5	-169.4	-58.1	0	0	0	109	M307 D355 K356 F358	M307-D353 WeakPolarHBondContact CE-OD2 3.5Å; D353-D355 PolarHBondContact OD1-N 3.46Å; D353-K356 WeakPolarHBondContact O-CG 3.48Å; D353-K356 PolarHBondContact OD1-N 2.73Å; D353-F358 HydrophobicContact CB-CE1 3.7Å; D353-F358 HydrophobicContact CB-CZ 4.1Å
354	S	90.8	Very high	95.3	Very high	87 Å²	87	22.8 Å²	22.8	61%	0.608	12%	0.124	S	C	*	.	S	Bend	trans	-79.3	-33.2	-172	65.9	0	0	0	0	114.2	Q305	Q305-S354 VanDerWaalsContact CD-OG 3.29Å; Q305-S354 PolarHBondContact NE2-OG 2.91Å; Q305-S354 PolarHBondContact OE1-OG 3.21Å
355	D	92.6	Very high	95.5	Very high	99 Å²	99	22 Å²	22	53%	0.529	12%	0.118	S	C	.	.	S	Bend	trans	-96.3	-18.1	-179.7	69.9	22.8	0	0	0	112.2	D353 M357	D353-D355 PolarHBondContact OD1-N 3.46Å; D355-M357 HydrophobicContact CB-CG 4.29Å; D355-M357 PolarHBondContact O-N 3.2Å; D355-M357 WeakPolarHBondContact OD1-CB 3.47Å; D355-M357 PolarHBondContact OD1-N 2.94Å
356	K	95.8	Very high	95.8	Very high	65 Å²	65	23.8 Å²	23.8	28%	0.283	13%	0.126	S	C	.	.			trans	55.6	31.8	-179.2	-58.9	178.2	178.4	-84.5	0	111.7	Q350 D351 D353 F358 G390	Q350-K356 PolarHBondContact O-NZ 2.93Å; D351-K356 IonicContact OD1-NZ 3.95Å; D351-K356 PolarHBondContact OD1-NZ 2.89Å; D351-K356 VanDerWaalsContact OD1-NZ 3.15Å; D353-K356 WeakPolarHBondContact O-CG 3.48Å; D353-K356 PolarHBondContact OD1-N 2.73Å; K356-F358 HydrophobicContact CB-CE2 4.26Å; K356-F358 HydrophobicContact CB-CZ 4.06Å; K356-G390 WeakPolarHBondContact O-CA 3.47Å; K356-G390 PolarHBondContact O-N 3.4Å
357	M	97.3	Very high	95.8	Very high	64 Å²	64	25.2 Å²	25.2	32%	0.315	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.6	175.7	-64.3	-61.3	-61.1	0	0	108.6	D355 F387 C388	D355-M357 HydrophobicContact CB-CG 4.29Å; D355-M357 PolarHBondContact O-N 3.2Å; D355-M357 WeakPolarHBondContact OD1-CB 3.47Å; D355-M357 PolarHBondContact OD1-N 2.94Å; M357-F387 HydrophobicContact CB-CB 4.22Å; M357-F387 HydrophobicContact CB-CD1 3.87Å; M357-F387 HydrophobicContact CB-CG 4.46Å; M357-F387 HydrophobicContact CE-CB 3.87Å; M357-F387 WeakPolarHBondContact O-CD1 3.29Å; M357-C388 WeakPolarHBondContact CA-O 3.41Å
358	F	97.7	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.9	-170.8	-55.7	-51.2	0	0	0	111.8	F308 Q350 D353 K356 A360 F387 C388 V391 I394	F308-F358 HydrophobicContact CB-CD1 3.7Å; F308-F358 HydrophobicContact CB-CE1 3.91Å; F308-F358 HydrophobicContact CB-CG 4.47Å; F308-F358 HydrophobicContact CD1-CD1 4.14Å; F308-F358 HydrophobicContact CD1-CD2 4.46Å; F308-F358 HydrophobicContact CD1-CG 4.1Å; F308-F358 HydrophobicContact CG-CD1 4.43Å; Q350-F358 HydrophobicContact CB-CE2 3.67Å; Q350-F358 HydrophobicContact CB-CZ 3.51Å; D353-F358 HydrophobicContact CB-CE1 3.7Å; D353-F358 HydrophobicContact CB-CZ 4.1Å; K356-F358 HydrophobicContact CB-CE2 4.26Å; K356-F358 HydrophobicContact CB-CZ 4.06Å; F358-A360 PolarHBondContact O-N 3.34Å; F358-F387 CarbonylContact O-C 3.29Å; F358-F387 WeakPolarHBondContact O-CA 3.32Å; F358-C388 PolarHBondContact N-O 2.72Å; F358-C388 PolarHBondContact O-N 3.35Å; F358-V391 HydrophobicContact CE2-CG2 4.47Å; F358-I394 HydrophobicContact CB-CD1 3.72Å; F358-I394 HydrophobicContact CB-CG1 4.25Å; F358-I394 HydrophobicContact CD2-CD1 4.06Å; F358-I394 HydrophobicContact CG-CD1 4.26Å
359	P	97.8	Very high	95.6	Very high	18 Å²	18	30.5 Å²	30.5	12%	0.117	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.5	169.2	-21.7	33.7	0	0	0	110.7	F308 T309 V310 P386 F387	F308-P359 WeakPolarHBondContact O-CD 3.42Å; T309-P359 WeakPolarHBondContact CA-O 3.42Å; T309-P359 HydrophobicContact CG2-CB 4.14Å; V310-P359 PolarHBondContact N-O 3.24Å; P359-P386 WeakPolarHBondContact CA-O 3.4Å; P359-P386 HydrophobicContact CB-CB 4.41Å; P359-P386 HydrophobicContact CB-CG 4.16Å; P359-F387 HydrophobicContact CG-CD1 3.77Å; P359-F387 HydrophobicContact CG-CE1 3.48Å; P359-F387 VanDerWaalsContact CG-CE1 3.48Å; P359-F387 HydrophobicContact CG-CE2 4.32Å; P359-F387 HydrophobicContact CG-CG 4.33Å; P359-F387 HydrophobicContact CG-CZ 3.78Å
360	A	98.2	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.5	174.2	0	0	0	0	0	109.9	F358 I379 P386 I394	F358-A360 PolarHBondContact O-N 3.34Å; A360-I379 HydrophobicContact CB-CD1 3.48Å; A360-I379 VanDerWaalsContact CB-CD1 3.48Å; A360-I379 HydrophobicContact CB-CG1 3.67Å; A360-I379 PolarHBondContact O-N 2.98Å; A360-P386 PolarHBondContact N-O 3.13Å; A360-P386 VanDerWaalsContact N-O 3.11Å; A360-I394 HydrophobicContact CB-CG1 4.34Å; A360-I394 HydrophobicContact CB-CG2 4.01Å
361	L	98.4	Very high	95.5	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.2	-172.1	-58.7	175.9	0	0	0	110.4	T309 V310 G311 I312 E376 F377 P386 I416	T309-L361 HydrophobicContact CG2-CD1 4.31Å; V310-L361 PolarHBondContact O-N 3.21Å; G311-L361 CarbonylContact C-O 3.57Å; G311-L361 WeakPolarHBondContact CA-O 3.41Å; I312-L361 PolarHBondContact N-O 3.25Å; L361-E376 HydrophobicContact CD1-CG 4.23Å; L361-F377 CarbonylContact C-O 3.58Å; L361-F377 VanDerWaalsContact CA-O 3.23Å; L361-F377 WeakPolarHBondContact CA-O 3.38Å; L361-P386 HydrophobicContact CD2-CB 3.95Å; L361-I416 HydrophobicContact CB-CD1 3.82Å; L361-I416 HydrophobicContact CD1-CD1 4.07Å; L361-I416 HydrophobicContact CD1-CG1 4.08Å
362	G	97.8	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155	171.4	0	0	0	0	0	111.4	I312 E376 F377 I379	I312-G362 CarbonylContact O-C 3.3Å; I312-G362 VanDerWaalsContact O-CA 3.28Å; I312-G362 WeakPolarHBondContact O-CA 3.28Å; G362-E376 CarbonylContact O-C 3.59Å; G362-E376 VanDerWaalsContact O-CA 3.22Å; G362-E376 WeakPolarHBondContact O-CA 3.38Å; G362-F377 PolarHBondContact N-O 3.16Å; G362-F377 WeakPolarHBondContact O-CD1 3.38Å; G362-F377 WeakPolarHBondContact O-CE1 3.22Å; G362-F377 PolarHBondContact O-N 3.41Å; G362-I379 VanDerWaalsContact N-CG2 3.34Å
363	F	97.2	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.2	173	61	-90.8	0	0	0	111.9	I312 D313 F314 H375 T411 F413 I441	I312-F363 VanDerWaalsContact C-CE1 3.47Å; I312-F363 WeakPolarHBondContact O-CD1 2.97Å; I312-F363 PolarHBondContact O-N 3.11Å; D313-F363 VanDerWaalsContact CA-CZ 3.49Å; D313-F363 HydrophobicContact CB-CE1 4.26Å; D313-F363 HydrophobicContact CB-CE2 3.67Å; D313-F363 HydrophobicContact CB-CZ 3.5Å; F314-F363 PolarHBondContact N-O 3.26Å; F363-H375 WeakPolarHBondContact CB-O 3.15Å; F363-T411 HydrophobicContact CE2-CG2 3.98Å; F363-F413 AromaticContact CE2-CD1 3.92Å; F363-F413 HydrophobicContact CE2-CD1 3.92Å; F363-F413 AromaticContact CE2-CE1 3.67Å; F363-F413 HydrophobicContact CE2-CE1 3.67Å; F363-F413 AromaticContact CZ-CD1 3.91Å; F363-F413 HydrophobicContact CZ-CD1 3.91Å; F363-F413 AromaticContact CZ-CE1 3.54Å; F363-F413 HydrophobicContact CZ-CE1 3.54Å; F363-I441 HydrophobicContact CE1-CG2 4.11Å; F363-I441 HydrophobicContact CZ-CG2 3.97Å
364	G	95.9	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	84.2	18.5	174.9	0	0	0	0	0	115.3	S374 Y408 G409	G364-S374 PolarHBondContact N-O 2.94Å; G364-Y408 CarbonylContact O-C 3.48Å; G364-Y408 VanDerWaalsContact O-CA 3.31Å; G364-Y408 WeakPolarHBondContact O-CA 3.31Å; G364-Y408 PolarHBondContact O-N 3.12Å; G364-G409 PolarHBondContact O-N 2.87Å
365	A	96.7	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.4	179.7	0	0	0	0	0	112.7	F314 S374 F377 I405 R406	F314-A365 HydrophobicContact CB-CB 3.83Å; A365-S374 PolarHBondContact N-O 3.48Å; A365-S374 PolarHBondContact O-N 3.06Å; A365-F377 HydrophobicContact CB-CE1 3.92Å; A365-F377 HydrophobicContact CB-CZ 4.16Å; A365-I405 HydrophobicContact CB-CB 4.25Å; A365-I405 HydrophobicContact CB-CD1 4.19Å; A365-R406 CarbonylContact C-O 3.55Å; A365-R406 WeakPolarHBondContact CA-O 3.43Å; A365-R406 WeakPolarHBondContact CB-O 3.45Å
366	Q	96.8	Very high	95.4	Very high	39 Å²	39	42.8 Å²	42.8	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135	167	-68.1	177.5	-24.8	0	0	110.7	W371 K372 V373 R406 Y408	Q366-W371 HydrophobicContact CB-CB 4.41Å; Q366-W371 HydrophobicContact CB-CE3 4.17Å; Q366-W371 WeakPolarHBondContact CB-O 3.41Å; Q366-W371 VanDerWaalsContact CD-O 3.29Å; Q366-W371 VanDerWaalsContact CG-O 3.28Å; Q366-W371 WeakPolarHBondContact CG-O 3.39Å; Q366-W371 PolarHBondContact NE2-O 3.43Å; Q366-K372 VanDerWaalsContact CA-O 3.3Å; Q366-K372 WeakPolarHBondContact CA-O 3.31Å; Q366-V373 HydrophobicContact CG-CG2 4Å; Q366-R406 HydrophobicContact CB-CB 4.18Å; Q366-R406 PolarHBondContact N-O 3.25Å; Q366-R406 PolarHBondContact O-N 2.98Å; Q366-R406 VanDerWaalsContact O-N 3.08Å; Q366-Y408 HydrophobicContact CG-CD1 4.34Å; Q366-Y408 HydrophobicContact CG-CD2 4.44Å; Q366-Y408 HydrophobicContact CG-CG 3.99Å
367	L	95	Very high	95.5	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.1	-175.4	-56.3	176.8	0	0	0	112.3	W371 K372 F377 F381 I405	L367-W371 WeakPolarHBondContact O-CA 3.28Å; L367-W371 PolarHBondContact O-N 3.26Å; L367-K372 PolarHBondContact N-O 3.37Å; L367-K372 VanDerWaalsContact N-O 3.17Å; L367-F377 HydrophobicContact CD1-CB 3.44Å; L367-F377 VanDerWaalsContact CD1-CB 3.44Å; L367-F377 HydrophobicContact CD1-CD1 3.95Å; L367-F377 HydrophobicContact CD1-CD2 4.07Å; L367-F377 HydrophobicContact CD1-CG 3.56Å; L367-F377 HydrophobicContact CD2-CD1 4.04Å; L367-F377 HydrophobicContact CD2-CD2 3.78Å; L367-F377 HydrophobicContact CD2-CE1 4.06Å; L367-F377 HydrophobicContact CD2-CE2 3.81Å; L367-F377 HydrophobicContact CD2-CG 3.91Å; L367-F377 HydrophobicContact CD2-CZ 3.95Å; L367-F377 HydrophobicContact CG-CD1 4.37Å; L367-F377 HydrophobicContact CG-CG 4.29Å; L367-F381 HydrophobicContact CD2-CE1 4.42Å; L367-I405 HydrophobicContact CD2-CB 4.34Å; L367-I405 HydrophobicContact CD2-CG2 3.5Å
368	P	91.9	Very high	95.5	Very high	61 Å²	61	37.9 Å²	37.9	40%	0.396	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	158.4	170.5	29.9	-34.9	0	0	0	111.4	W371 H404	P368-W371 HydrophobicContact CB-CH2 4.24Å; P368-W371 HydrophobicContact CB-CZ2 4.12Å; P368-H404 WeakPolarHBondContact CD-O 3.42Å
369	P	92.4	Very high	95.5	Very high	122 Å²	122	38 Å²	38	79%	0.792	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.9	-17	-0.3	34.2	-35.1	0	0	0	114.2
370	D	93.1	Very high	95.4	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.8	-171.7	67.4	-8.7	0	0	0	114	K372	D370-K372 HydrophobicContact CB-CG 4.47Å; D370-K372 PolarHBondContact O-N 2.82Å; D370-K372 PolarHBondContact OD1-N 3.41Å; D370-K372 WeakPolarHBondContact OD2-CD 3.07Å; D370-K372 WeakPolarHBondContact OD2-CE 3.28Å; D370-K372 WeakPolarHBondContact OD2-CG 3.34Å; D370-K372 IonicContact OD2-NZ 3.66Å; D370-K372 PolarHBondContact OD2-NZ 3.25Å
371	W	94.3	Very high	95.3	Very high	83 Å²	83	43.9 Å²	43.9	31%	0.314	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.2	178.2	-58.6	100.5	0	0	0	113	Q366 L367 P368 R406	Q366-W371 HydrophobicContact CB-CB 4.41Å; Q366-W371 HydrophobicContact CB-CE3 4.17Å; Q366-W371 WeakPolarHBondContact CB-O 3.41Å; Q366-W371 VanDerWaalsContact CD-O 3.29Å; Q366-W371 VanDerWaalsContact CG-O 3.28Å; Q366-W371 WeakPolarHBondContact CG-O 3.39Å; Q366-W371 PolarHBondContact NE2-O 3.43Å; L367-W371 WeakPolarHBondContact O-CA 3.28Å; L367-W371 PolarHBondContact O-N 3.26Å; P368-W371 HydrophobicContact CB-CH2 4.24Å; P368-W371 HydrophobicContact CB-CZ2 4.12Å; W371-R406 HydrophobicContact CE3-CB 4.32Å; W371-R406 HydrophobicContact CE3-CG 3.89Å; W371-R406 HydrophobicContact CH2-CG 4.23Å; W371-R406 HydrophobicContact CZ3-CB 4.17Å; W371-R406 HydrophobicContact CZ3-CG 3.52Å
372	K	94	Very high	95.2	Very high	140 Å²	140	46.6 Å²	46.6	61%	0.609	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.6	170.9	-73.4	-172.8	-170.9	127.6	0	110.6	Q366 L367 D370 S374	Q366-K372 VanDerWaalsContact CA-O 3.3Å; Q366-K372 WeakPolarHBondContact CA-O 3.31Å; L367-K372 PolarHBondContact N-O 3.37Å; L367-K372 VanDerWaalsContact N-O 3.17Å; D370-K372 HydrophobicContact CB-CG 4.47Å; D370-K372 PolarHBondContact O-N 2.82Å; D370-K372 PolarHBondContact OD1-N 3.41Å; D370-K372 WeakPolarHBondContact OD2-CD 3.07Å; D370-K372 WeakPolarHBondContact OD2-CE 3.28Å; D370-K372 WeakPolarHBondContact OD2-CG 3.34Å; D370-K372 IonicContact OD2-NZ 3.66Å; D370-K372 PolarHBondContact OD2-NZ 3.25Å; K372-S374 PolarHBondContact O-N 2.66Å
373	V	93.5	Very high	94.8	Very high	53 Å²	53	52.1 Å²	52.1	32%	0.321	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	128.8	172.4	-172.3	0	0	0	0	108.6	Q366 Y408 G409	Q366-V373 HydrophobicContact CG-CG2 4Å; V373-Y408 HydrophobicContact CB-CD1 4.2Å; V373-Y408 HydrophobicContact CG1-CD1 3.94Å; V373-Y408 HydrophobicContact CG2-CD1 3.21Å; V373-Y408 HydrophobicContact CG2-CE1 3.38Å; V373-Y408 HydrophobicContact CG2-CG 4.23Å; V373-G409 WeakPolarHBondContact CG1-O 3.35Å
374	S	93.6	Very high	94.7	Very high	24 Å²	24	58.3 Å²	58.3	17%	0.168	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.6	170.3	-174.2	0	0	0	0	110	G364 A365 K372 E376	G364-S374 PolarHBondContact N-O 2.94Å; A365-S374 PolarHBondContact N-O 3.48Å; A365-S374 PolarHBondContact O-N 3.06Å; K372-S374 PolarHBondContact O-N 2.66Å; S374-E376 VanDerWaalsContact C-N 3.33Å; S374-E376 PolarHBondContact OG-N 3.23Å; S374-E376 VanDerWaalsContact OG-N 3.16Å; S374-E376 PolarHBondContact OG-O 3.49Å
375	H	91.9	Very high	94.6	Very high	50 Å²	50	61.8 Å²	61.8	23%	0.231	33%	0.334	C	S	.	.	S	Bend	trans	-95.6	7.1	170.4	-62.2	-69.5	0	0	0	112.2	F363 P410 P415	F363-H375 WeakPolarHBondContact CB-O 3.15Å; H375-P410 PolarHBondContact CE1-O 3.39Å; H375-P410 PolarHBondContact ND1-O 3.19Å; H375-P415 HydrophobicContact CB-CB 4.4Å; H375-P415 HydrophobicContact CB-CG 3.95Å
376	E	94.8	Very high	94.6	Very high	56 Å²	56	62.8 Å²	62.8	26%	0.262	34%	0.34	S	S	.	.	S	Bend	trans	-169	118.9	174.5	-176.6	-179	94.4	0	0	110.2	L361 G362 S374 H419	L361-E376 HydrophobicContact CD1-CG 4.23Å; G362-E376 CarbonylContact O-C 3.59Å; G362-E376 VanDerWaalsContact O-CA 3.22Å; G362-E376 WeakPolarHBondContact O-CA 3.38Å; S374-E376 VanDerWaalsContact C-N 3.33Å; S374-E376 PolarHBondContact OG-N 3.23Å; S374-E376 VanDerWaalsContact OG-N 3.16Å; S374-E376 PolarHBondContact OG-O 3.49Å; E376-H419 IonicContact OE1-CE1 2.7Å; E376-H419 PolarHBondContact OE1-CE1 2.94Å; E376-H419 IonicContact OE1-CG 2.68Å; E376-H419 IonicContact OE1-ND1 3.68Å; E376-H419 PolarHBondContact OE1-ND1 3.48Å; E376-H419 WeakPolarHBondContact OE2-CB 3.44Å; E376-H419 IonicContact OE2-CG 2.63Å; E376-H419 IonicContact OE2-ND1 3.66Å; E376-H419 PolarHBondContact OE2-ND1 3.42Å
377	F	96.6	Very high	94.7	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.066	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	149.4	173.8	64.5	-85.2	0	0	0	112.4	F314 L361 G362 A365 L367 I379 I405	F314-F377 HydrophobicContact CD2-CE1 4.21Å; F314-F377 AromaticContact CD2-CZ 3.69Å; F314-F377 HydrophobicContact CD2-CZ 3.69Å; F314-F377 AromaticContact CE2-CZ 3.97Å; F314-F377 HydrophobicContact CE2-CZ 3.97Å; F314-F377 HydrophobicContact CG-CZ 4.48Å; L361-F377 CarbonylContact C-O 3.58Å; L361-F377 VanDerWaalsContact CA-O 3.23Å; L361-F377 WeakPolarHBondContact CA-O 3.38Å; G362-F377 PolarHBondContact N-O 3.16Å; G362-F377 WeakPolarHBondContact O-CD1 3.38Å; G362-F377 WeakPolarHBondContact O-CE1 3.22Å; G362-F377 PolarHBondContact O-N 3.41Å; A365-F377 HydrophobicContact CB-CE1 3.92Å; A365-F377 HydrophobicContact CB-CZ 4.16Å; L367-F377 HydrophobicContact CD1-CB 3.44Å; L367-F377 VanDerWaalsContact CD1-CB 3.44Å; L367-F377 HydrophobicContact CD1-CD1 3.95Å; L367-F377 HydrophobicContact CD1-CD2 4.07Å; L367-F377 HydrophobicContact CD1-CG 3.56Å; L367-F377 HydrophobicContact CD2-CD1 4.04Å; L367-F377 HydrophobicContact CD2-CD2 3.78Å; L367-F377 HydrophobicContact CD2-CE1 4.06Å; L367-F377 HydrophobicContact CD2-CE2 3.81Å; L367-F377 HydrophobicContact CD2-CG 3.91Å; L367-F377 HydrophobicContact CD2-CZ 3.95Å; L367-F377 HydrophobicContact CG-CD1 4.37Å; L367-F377 HydrophobicContact CG-CG 4.29Å; F377-I379 HydrophobicContact CE2-CG2 4.18Å; F377-I379 PolarHBondContact O-N 3.49Å; F377-I405 HydrophobicContact CE2-CG2 4.23Å; F377-I405 HydrophobicContact CZ-CD1 4.1Å; F377-I405 HydrophobicContact CZ-CG2 4.32Å
378	A	97.7	Very high	94.8	Very high	11 Å²	11	64.1 Å²	64.1	9%	0.091	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120	173.2	0	0	0	0	0	110.3	N380 F381 N382 P386	A378-N380 WeakPolarHBondContact CB-OD1 3.29Å; A378-N380 PolarHBondContact O-N 2.88Å; A378-F381 WeakPolarHBondContact O-CA 3.21Å; A378-F381 PolarHBondContact O-N 2.99Å; A378-N382 WeakPolarHBondContact CB-O 3.31Å; A378-P386 HydrophobicContact CB-CB 3.77Å
379	I	97.8	Very high	95.1	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.3	-176.4	70.3	175.9	0	0	0	112.6	I312 F314 A360 G362 F377 F381 A397 C401	I312-I379 HydrophobicContact CD1-CD1 3.98Å; F314-I379 HydrophobicContact CE2-CG2 3.9Å; F314-I379 HydrophobicContact CZ-CG2 4.36Å; A360-I379 HydrophobicContact CB-CD1 3.48Å; A360-I379 VanDerWaalsContact CB-CD1 3.48Å; A360-I379 HydrophobicContact CB-CG1 3.67Å; A360-I379 PolarHBondContact O-N 2.98Å; G362-I379 VanDerWaalsContact N-CG2 3.34Å; F377-I379 HydrophobicContact CE2-CG2 4.18Å; F377-I379 PolarHBondContact O-N 3.49Å; I379-F381 PolarHBondContact O-N 2.68Å; I379-A397 HydrophobicContact CD1-CB 4.04Å; I379-A397 HydrophobicContact CG1-CB 3.88Å; I379-C401 HydrophobicContact CB-CB 4.35Å; I379-C401 VanDerWaalsContact O-CB 3.26Å; I379-C401 WeakPolarHBondContact O-CB 3.32Å
380	N	96.8	Very high	95.3	Very high	51 Å²	51	60.1 Å²	60.1	27%	0.273	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.3	171.3	70.9	1.4	0	0	0	113.3	A378 N382 N385 A397	A378-N380 WeakPolarHBondContact CB-OD1 3.29Å; A378-N380 PolarHBondContact O-N 2.88Å; N380-N382 PolarHBondContact O-N 3.11Å; N380-N382 VanDerWaalsContact O-N 3.14Å; N380-N382 PolarHBondContact OD1-N 2.98Å; N380-N385 PolarHBondContact ND2-O 3.5Å; N380-A397 HydrophobicContact CB-CB 4.31Å
381	F	95.4	Very high	95.5	Very high	92 Å²	92	55.9 Å²	55.9	40%	0.404	30%	0.3	S	S	.	.	S	Bend	trans	56.5	19.8	-175.2	-58.7	-65.7	0	0	0	115.5	L367 A378 I379 P383 C401 H404 I405	L367-F381 HydrophobicContact CD2-CE1 4.42Å; A378-F381 WeakPolarHBondContact O-CA 3.21Å; A378-F381 PolarHBondContact O-N 2.99Å; I379-F381 PolarHBondContact O-N 2.68Å; F381-P383 WeakPolarHBondContact O-CD 3.2Å; F381-C401 HydrophobicContact CE2-CB 3.9Å; F381-C401 HydrophobicContact CZ-CB 3.91Å; F381-H404 HydrophobicContact CE2-CB 3.82Å; F381-H404 HydrophobicContact CZ-CB 3.63Å; F381-I405 HydrophobicContact CE1-CG2 3.92Å; F381-I405 HydrophobicContact CZ-CG2 3.82Å
382	N	95.3	Very high	95.6	Very high	61 Å²	61	56.1 Å²	56.1	33%	0.326	31%	0.308	S	S	.	.			trans	-108.3	92.7	171	-171.8	-18.9	0	0	0	110.2	A378 N380 T384 N385	A378-N382 WeakPolarHBondContact CB-O 3.31Å; N380-N382 PolarHBondContact O-N 3.11Å; N380-N382 VanDerWaalsContact O-N 3.14Å; N380-N382 PolarHBondContact OD1-N 2.98Å; N382-T384 PolarHBondContact O-N 2.85Å; N382-T384 VanDerWaalsContact O-N 3.14Å; N382-T384 PolarHBondContact OD1-N 3.18Å; N382-T384 PolarHBondContact OD1-OG1 3.14Å; N382-N385 CarbonylContact O-C 3.4Å; N382-N385 PolarHBondContact O-N 3.49Å; N382-N385 PolarHBondContact OD1-N 2.92Å; N382-N385 VanDerWaalsContact OD1-N 3.16Å
383	P	90.5	Very high	95.8	Very high	115 Å²	115	50 Å²	50	75%	0.747	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.7	-175.9	27.5	-35.5	0	0	0	113.4	F381	F381-P383 WeakPolarHBondContact O-CD 3.2Å
384	T	94.2	Very high	96	Very high	130 Å²	130	47.5 Å²	47.5	80%	0.798	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.5	176.9	60.7	0	0	0	0	113.3	N382	N382-T384 PolarHBondContact O-N 2.85Å; N382-T384 VanDerWaalsContact O-N 3.14Å; N382-T384 PolarHBondContact OD1-N 3.18Å; N382-T384 PolarHBondContact OD1-OG1 3.14Å
385	N	95.2	Very high	96.2	Very high	73 Å²	73	46.8 Å²	46.8	39%	0.39	27%	0.265	S	S	.	.			trans	-148.8	84.5	-179.2	-178	10.2	0	0	0	109.9	N380 N382 F387	N380-N385 PolarHBondContact ND2-O 3.5Å; N382-N385 CarbonylContact O-C 3.4Å; N382-N385 PolarHBondContact O-N 3.49Å; N382-N385 PolarHBondContact OD1-N 2.92Å; N382-N385 VanDerWaalsContact OD1-N 3.16Å; N385-F387 PolarHBondContact O-N 3.09Å; N385-F387 WeakPolarHBondContact OD1-CB 3.35Å; N385-F387 VanDerWaalsContact OD1-CD2 3.24Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.17Å; N385-F387 PolarHBondContact OD1-N 2.83Å
386	P	96.3	Very high	96.4	Very high	21 Å²	21	50.9 Å²	50.9	14%	0.136	28%	0.284	C	S	.	.			trans	-75.4	2.7	-179.7	32.4	-37.1	0	0	0	113.8	P359 A360 L361 A378	P359-P386 WeakPolarHBondContact CA-O 3.4Å; P359-P386 HydrophobicContact CB-CB 4.41Å; P359-P386 HydrophobicContact CB-CG 4.16Å; A360-P386 PolarHBondContact N-O 3.13Å; A360-P386 VanDerWaalsContact N-O 3.11Å; L361-P386 HydrophobicContact CD2-CB 3.95Å; A378-P386 HydrophobicContact CB-CB 3.77Å
387	F	97.6	Very high	96.6	Very high	89 Å²	89	48.9 Å²	48.9	39%	0.39	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.1	-170.3	-65.8	-100.5	0	0	0	112.3	M357 F358 P359 N385	M357-F387 HydrophobicContact CB-CB 4.22Å; M357-F387 HydrophobicContact CB-CD1 3.87Å; M357-F387 HydrophobicContact CB-CG 4.46Å; M357-F387 HydrophobicContact CE-CB 3.87Å; M357-F387 WeakPolarHBondContact O-CD1 3.29Å; F358-F387 CarbonylContact O-C 3.29Å; F358-F387 WeakPolarHBondContact O-CA 3.32Å; P359-F387 HydrophobicContact CG-CD1 3.77Å; P359-F387 HydrophobicContact CG-CE1 3.48Å; P359-F387 VanDerWaalsContact CG-CE1 3.48Å; P359-F387 HydrophobicContact CG-CE2 4.32Å; P359-F387 HydrophobicContact CG-CG 4.33Å; P359-F387 HydrophobicContact CG-CZ 3.78Å; N385-F387 PolarHBondContact O-N 3.09Å; N385-F387 WeakPolarHBondContact OD1-CB 3.35Å; N385-F387 VanDerWaalsContact OD1-CD2 3.24Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.17Å; N385-F387 PolarHBondContact OD1-N 2.83Å
388	C	97.9	Very high	96.7	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.7	174.4	-71.4	0	0	0	0	110.2	M357 F358 G390 I394	M357-C388 WeakPolarHBondContact CA-O 3.41Å; F358-C388 PolarHBondContact N-O 2.72Å; F358-C388 PolarHBondContact O-N 3.35Å; C388-G390 PolarHBondContact O-N 2.8Å; C388-I394 HydrophobicContact CB-CG1 3.8Å
389	S	97.3	Very high	96.6	Very high	90 Å²	90	49.8 Å²	49.8	63%	0.629	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	102.1	177.5	176.4	0	0	0	0	110.8	G393	S389-G393 WeakPolarHBondContact O-CA 3.32Å; S389-G393 PolarHBondContact O-N 3.31Å; S389-G393 VanDerWaalsContact O-N 3.11Å
390	G	97	Very high	96.5	Very high	8 Å²	8	52.5 Å²	52.5	8%	0.082	31%	0.308	C	S	.	.	H	α-helix	trans	66.5	-179.7	-179.1	0	0	0	0	0	113.5	K356 C388 D392 G393 I394	K356-G390 WeakPolarHBondContact O-CA 3.47Å; K356-G390 PolarHBondContact O-N 3.4Å; C388-G390 PolarHBondContact O-N 2.8Å; G390-D392 VanDerWaalsContact C-N 3.3Å; G390-D392 PolarHBondContact O-N 2.81Å; G390-G393 PolarHBondContact O-N 2.99Å; G390-G393 VanDerWaalsContact O-N 3.14Å; G390-I394 PolarHBondContact O-N 2.77Å
391	V	96.8	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-36.3	178	-170.3	0	0	0	0	111.2	I342 W343 G346 Q350 F358 G393 I394 A395	I342-V391 HydrophobicContact CG2-CG1 3.86Å; W343-V391 HydrophobicContact CD2-CG1 4.11Å; W343-V391 HydrophobicContact CE3-CB 4.08Å; W343-V391 HydrophobicContact CE3-CG1 3.42Å; W343-V391 VanDerWaalsContact CE3-CG1 3.42Å; W343-V391 HydrophobicContact CH2-CG1 4.49Å; W343-V391 HydrophobicContact CZ3-CB 3.82Å; W343-V391 HydrophobicContact CZ3-CG1 3.63Å; G346-V391 WeakPolarHBondContact O-CG2 3.41Å; Q350-V391 HydrophobicContact CB-CG2 4.19Å; Q350-V391 HydrophobicContact CG-CG2 4.25Å; F358-V391 HydrophobicContact CE2-CG2 4.47Å; V391-G393 VanDerWaalsContact C-N 3.27Å; V391-G393 PolarHBondContact O-N 2.85Å; V391-I394 WeakPolarHBondContact O-CB 3.33Å; V391-I394 PolarHBondContact O-N 2.96Å; V391-I394 VanDerWaalsContact O-N 3.13Å; V391-A395 PolarHBondContact O-N 2.92Å
392	D	97	Very high	96.5	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-54.6	-43.6	171.1	-71.1	-81.5	0	0	0	111.7	W343 G390 I394 A395 Q396	W343-D392 HydrophobicContact CH2-CB 4.15Å; W343-D392 VanDerWaalsContact CH2-OD1 3.23Å; W343-D392 WeakPolarHBondContact CH2-OD1 3.49Å; G390-D392 VanDerWaalsContact C-N 3.3Å; G390-D392 PolarHBondContact O-N 2.81Å; D392-I394 VanDerWaalsContact C-N 3.35Å; D392-I394 PolarHBondContact O-N 2.88Å; D392-A395 PolarHBondContact O-N 2.89Å; D392-Q396 WeakPolarHBondContact O-CB 3.46Å; D392-Q396 VanDerWaalsContact O-CG 3.23Å; D392-Q396 WeakPolarHBondContact O-CG 3.21Å; D392-Q396 PolarHBondContact O-N 3.15Å
393	G	98	Very high	96.4	Very high	12 Å²	12	48 Å²	48	12%	0.124	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-38.2	177.2	0	0	0	0	0	112.9	S389 G390 V391 A397	S389-G393 WeakPolarHBondContact O-CA 3.32Å; S389-G393 PolarHBondContact O-N 3.31Å; S389-G393 VanDerWaalsContact O-N 3.11Å; G390-G393 PolarHBondContact O-N 2.99Å; G390-G393 VanDerWaalsContact O-N 3.14Å; V391-G393 VanDerWaalsContact C-N 3.27Å; V391-G393 PolarHBondContact O-N 2.85Å; G393-A397 WeakPolarHBondContact O-CB 3.25Å; G393-A397 PolarHBondContact O-N 3.09Å
394	I	98.3	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-48.6	175.5	-57.4	174.7	0	0	0	109.9	F308 V310 I342 F358 A360 C388 G390 V391 D392 Q396 A397 Y398	F308-I394 HydrophobicContact CE1-CD1 4.32Å; V310-I394 HydrophobicContact CG2-CD1 3.78Å; I342-I394 HydrophobicContact CD1-CG2 4.29Å; I342-I394 HydrophobicContact CG2-CB 4.32Å; I342-I394 HydrophobicContact CG2-CG2 3.95Å; F358-I394 HydrophobicContact CB-CD1 3.72Å; F358-I394 HydrophobicContact CB-CG1 4.25Å; F358-I394 HydrophobicContact CD2-CD1 4.06Å; F358-I394 HydrophobicContact CG-CD1 4.26Å; A360-I394 HydrophobicContact CB-CG1 4.34Å; A360-I394 HydrophobicContact CB-CG2 4.01Å; C388-I394 HydrophobicContact CB-CG1 3.8Å; G390-I394 PolarHBondContact O-N 2.77Å; V391-I394 WeakPolarHBondContact O-CB 3.33Å; V391-I394 PolarHBondContact O-N 2.96Å; V391-I394 VanDerWaalsContact O-N 3.13Å; D392-I394 VanDerWaalsContact C-N 3.35Å; D392-I394 PolarHBondContact O-N 2.88Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 2.93Å; I394-A397 PolarHBondContact O-N 3.37Å; I394-Y398 WeakPolarHBondContact O-CB 3.41Å; I394-Y398 PolarHBondContact O-N 3.39Å
395	A	97.4	Very high	96.7	Very high	8 Å²	8	42.1 Å²	42.1	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-39.4	-179.6	0	0	0	0	0	112.5	L339 W343 V391 D392 S399	L339-A395 HydrophobicContact CD2-CB 3.72Å; W343-A395 HydrophobicContact CH2-CB 4.36Å; W343-A395 HydrophobicContact CZ2-CB 3.63Å; V391-A395 PolarHBondContact O-N 2.92Å; D392-A395 PolarHBondContact O-N 2.89Å; A395-S399 WeakPolarHBondContact O-CB 3.41Å; A395-S399 PolarHBondContact O-N 2.93Å; A395-S399 PolarHBondContact O-OG 2.83Å
396	Q	97.1	Very high	96.7	Very high	136 Å²	136	44.9 Å²	44.9	64%	0.636	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-48.4	173.9	-72.5	170.8	19.6	0	0	111.5	D392 I394 Y398 S399 A400	D392-Q396 WeakPolarHBondContact O-CB 3.46Å; D392-Q396 VanDerWaalsContact O-CG 3.23Å; D392-Q396 WeakPolarHBondContact O-CG 3.21Å; D392-Q396 PolarHBondContact O-N 3.15Å; I394-Q396 VanDerWaalsContact C-N 3.32Å; I394-Q396 PolarHBondContact O-N 2.93Å; Q396-Y398 PolarHBondContact O-N 3.23Å; Q396-S399 PolarHBondContact O-N 3.46Å; Q396-A400 VanDerWaalsContact O-CB 3.31Å; Q396-A400 WeakPolarHBondContact O-CB 3.23Å; Q396-A400 PolarHBondContact O-N 2.96Å
397	A	98.1	Very high	96.7	Very high	14 Å²	14	45.3 Å²	45.3	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-40.3	179.7	0	0	0	0	0	112.1	I379 N380 G393 I394 A400 C401	I379-A397 HydrophobicContact CD1-CB 4.04Å; I379-A397 HydrophobicContact CG1-CB 3.88Å; N380-A397 HydrophobicContact CB-CB 4.31Å; G393-A397 WeakPolarHBondContact O-CB 3.25Å; G393-A397 PolarHBondContact O-N 3.09Å; I394-A397 PolarHBondContact O-N 3.37Å; A397-A400 PolarHBondContact O-N 3.26Å; A397-C401 WeakPolarHBondContact O-CB 3.5Å; A397-C401 PolarHBondContact O-N 3.28Å
398	Y	98.1	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-52.8	172.7	168.6	-97.8	0	0	0	111.5	I312 F314 H328 N336 Y338 L339 I394 Q396 A400 C401 L402	I312-Y398 HydrophobicContact CD1-CD2 3.63Å; I312-Y398 HydrophobicContact CD1-CE2 4.39Å; I312-Y398 HydrophobicContact CD1-CG 4.35Å; I312-Y398 HydrophobicContact CG2-CD2 4.06Å; I312-Y398 HydrophobicContact CG2-CE2 3.87Å; F314-Y398 HydrophobicContact CE1-CD2 4.11Å; F314-Y398 AromaticContact CE1-CE2 3.92Å; F314-Y398 HydrophobicContact CE1-CE2 3.92Å; F314-Y398 AromaticContact CZ-CD2 3.92Å; F314-Y398 HydrophobicContact CZ-CD2 3.92Å; F314-Y398 HydrophobicContact CZ-CE2 4.15Å; H328-Y398 AromaticContact CE1-CE2 3.92Å; H328-Y398 AromaticContact ND1-CE2 3.51Å; H328-Y398 AromaticContact ND1-CZ 3.52Å; H328-Y398 PolarHBondContact ND1-OH 3.02Å; N336-Y398 PolarHBondContact ND2-OH 3.27Å; Y338-Y398 WeakPolarHBondContact CB-OH 3.3Å; Y338-Y398 HydrophobicContact CG-CE2 4.46Å; L339-Y398 HydrophobicContact CD1-CD1 4.29Å; L339-Y398 HydrophobicContact CD1-CE1 4.08Å; L339-Y398 HydrophobicContact CD2-CD1 3.69Å; L339-Y398 HydrophobicContact CD2-CE1 4.13Å; L339-Y398 HydrophobicContact CG-CD1 3.81Å; L339-Y398 HydrophobicContact CG-CE1 3.71Å; I394-Y398 WeakPolarHBondContact O-CB 3.41Å; I394-Y398 PolarHBondContact O-N 3.39Å; Q396-Y398 PolarHBondContact O-N 3.23Å; Y398-A400 VanDerWaalsContact C-N 3.29Å; Y398-A400 PolarHBondContact O-N 2.94Å; Y398-C401 PolarHBondContact O-N 3.16Å; Y398-C401 PolarHBondContact O-SG 3.46Å; Y398-L402 HydrophobicContact CE1-CD1 3.99Å; Y398-L402 HydrophobicContact CE2-CD2 4.49Å; Y398-L402 PolarHBondContact O-N 3.35Å
399	S	95.6	Very high	96.3	Very high	46 Å²	46	47 Å²	47	32%	0.322	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-37.8	-178.3	-55	0	0	0	0	111.8	A395 Q396	A395-S399 WeakPolarHBondContact O-CB 3.41Å; A395-S399 PolarHBondContact O-N 2.93Å; A395-S399 PolarHBondContact O-OG 2.83Å; Q396-S399 PolarHBondContact O-N 3.46Å
400	A	96.1	Very high	96.1	Very high	59 Å²	59	45.7 Å²	45.7	49%	0.488	25%	0.249	S	C	.	.	H	α-helix	trans	-70.4	-30.1	178.6	0	0	0	0	0	113.1	Q396 A397 Y398 P403 H404	Q396-A400 VanDerWaalsContact O-CB 3.31Å; Q396-A400 WeakPolarHBondContact O-CB 3.23Å; Q396-A400 PolarHBondContact O-N 2.96Å; A397-A400 PolarHBondContact O-N 3.26Å; Y398-A400 VanDerWaalsContact C-N 3.29Å; Y398-A400 PolarHBondContact O-N 2.94Å; A400-P403 WeakPolarHBondContact O-CD 3.37Å; A400-H404 PolarHBondContact O-CD2 3.43Å
401	C	96.3	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-79.3	-29.4	-175	81.4	0	0	0	0	114	F314 I379 F381 A397 Y398 P403 H404	F314-C401 VanDerWaalsContact CZ-SG 3.5Å; I379-C401 HydrophobicContact CB-CB 4.35Å; I379-C401 VanDerWaalsContact O-CB 3.26Å; I379-C401 WeakPolarHBondContact O-CB 3.32Å; F381-C401 HydrophobicContact CE2-CB 3.9Å; F381-C401 HydrophobicContact CZ-CB 3.91Å; A397-C401 WeakPolarHBondContact O-CB 3.5Å; A397-C401 PolarHBondContact O-N 3.28Å; Y398-C401 PolarHBondContact O-N 3.16Å; Y398-C401 PolarHBondContact O-SG 3.46Å; C401-P403 VanDerWaalsContact C-CD 3.49Å; C401-H404 PolarHBondContact O-N 3.07Å
402	L	95.6	Very high	95.9	Very high	10 Å²	10	47 Å²	47	5%	0.052	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-51.2	-45.1	-174	-72.3	170.5	0	0	0	114.5	F314 P321 H328 I330 Y398 H404 F407	F314-L402 HydrophobicContact CD1-CD2 4.09Å; F314-L402 HydrophobicContact CE1-CD2 3.65Å; P321-L402 HydrophobicContact CB-CD2 4.23Å; H328-L402 HydrophobicContact CB-CD2 3.89Å; I330-L402 HydrophobicContact CD1-CD1 3.95Å; I330-L402 HydrophobicContact CG1-CD1 4.22Å; Y398-L402 HydrophobicContact CE1-CD1 3.99Å; Y398-L402 HydrophobicContact CE2-CD2 4.49Å; Y398-L402 PolarHBondContact O-N 3.35Å; L402-H404 PolarHBondContact O-N 3.24Å; L402-F407 HydrophobicContact CD2-CE1 4.03Å; L402-F407 HydrophobicContact CD2-CZ 3.71Å
403	P	94.4	Very high	95.9	Very high	99 Å²	99	42.9 Å²	42.9	64%	0.643	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-73.4	-10.4	-178.6	-16.6	33	0	0	0	114.2	A400 C401	A400-P403 WeakPolarHBondContact O-CD 3.37Å; C401-P403 VanDerWaalsContact C-CD 3.49Å
404	H	94.9	Very high	95.8	Very high	108 Å²	108	43 Å²	43	50%	0.5	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-106.7	-4.1	-170.5	-62.4	-52	0	0	0	113.7	P368 F381 A400 C401 L402	P368-H404 WeakPolarHBondContact CD-O 3.42Å; F381-H404 HydrophobicContact CE2-CB 3.82Å; F381-H404 HydrophobicContact CZ-CB 3.63Å; A400-H404 PolarHBondContact O-CD2 3.43Å; C401-H404 PolarHBondContact O-N 3.07Å; L402-H404 PolarHBondContact O-N 3.24Å
405	I	95.9	Very high	95.8	Very high	14 Å²	14	45 Å²	45	7%	0.072	24%	0.244	C	C	.	.			trans	-118.5	160.4	-179.9	63.8	179.4	0	0	0	111.1	F314 A365 L367 F377 F381 F407	F314-I405 HydrophobicContact CB-CD1 3.96Å; F314-I405 HydrophobicContact CD1-CD1 3.47Å; F314-I405 VanDerWaalsContact CD1-CD1 3.47Å; F314-I405 HydrophobicContact CD2-CD1 4.06Å; F314-I405 HydrophobicContact CE1-CD1 3.84Å; F314-I405 HydrophobicContact CE2-CD1 4.39Å; F314-I405 HydrophobicContact CG-CD1 3.57Å; F314-I405 HydrophobicContact CZ-CD1 4.28Å; A365-I405 HydrophobicContact CB-CB 4.25Å; A365-I405 HydrophobicContact CB-CD1 4.19Å; L367-I405 HydrophobicContact CD2-CB 4.34Å; L367-I405 HydrophobicContact CD2-CG2 3.5Å; F377-I405 HydrophobicContact CE2-CG2 4.23Å; F377-I405 HydrophobicContact CZ-CD1 4.1Å; F377-I405 HydrophobicContact CZ-CG2 4.32Å; F381-I405 HydrophobicContact CE1-CG2 3.92Å; F381-I405 HydrophobicContact CZ-CG2 3.82Å; I405-F407 HydrophobicContact CD1-CD1 4.26Å; I405-F407 HydrophobicContact CD1-CE1 3.91Å; I405-F407 HydrophobicContact CG1-CD1 4.24Å; I405-F407 HydrophobicContact CG1-CE1 4.04Å
406	R	96	Very high	95.8	Very high	131 Å²	131	44.6 Å²	44.6	49%	0.494	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	170	-71.3	173.3	-171.3	173.7	1.7	109.3	A365 Q366 W371 Y408	A365-R406 CarbonylContact C-O 3.55Å; A365-R406 WeakPolarHBondContact CA-O 3.43Å; A365-R406 WeakPolarHBondContact CB-O 3.45Å; Q366-R406 HydrophobicContact CB-CB 4.18Å; Q366-R406 PolarHBondContact N-O 3.25Å; Q366-R406 PolarHBondContact O-N 2.98Å; Q366-R406 VanDerWaalsContact O-N 3.08Å; W371-R406 HydrophobicContact CE3-CB 4.32Å; W371-R406 HydrophobicContact CE3-CG 3.89Å; W371-R406 HydrophobicContact CH2-CG 4.23Å; W371-R406 HydrophobicContact CZ3-CB 4.17Å; W371-R406 HydrophobicContact CZ3-CG 3.52Å; R406-Y408 PolarHBondContact O-N 3.12Å
407	F	95.8	Very high	95.8	Very high	29 Å²	29	38.2 Å²	38.2	13%	0.127	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.6	178.2	-63.7	0	0	0	0	110.4	F314 A316 N318 G319 P321 H328 L402 I405	F314-F407 HydrophobicContact CB-CD1 4.02Å; F314-F407 HydrophobicContact CB-CE1 4.13Å; F314-F407 HydrophobicContact CD1-CD1 4.39Å; F314-F407 AromaticContact CD1-CE1 3.66Å; F314-F407 HydrophobicContact CD1-CE1 3.66Å; F314-F407 HydrophobicContact CD1-CZ 4.09Å; F314-F407 HydrophobicContact CG-CE1 4.35Å; F314-F407 WeakPolarHBondContact O-CA 3.22Å; F314-F407 WeakPolarHBondContact O-CB 3.39Å; F314-F407 WeakPolarHBondContact O-CD1 3.5Å; F314-F407 WeakPolarHBondContact O-CG 3.25Å; A316-F407 HydrophobicContact CB-CB 4.42Å; N318-F407 HydrophobicContact CB-CD2 4.29Å; N318-F407 HydrophobicContact CB-CE2 4.24Å; G319-F407 WeakPolarHBondContact O-CD2 3.14Å; G319-F407 WeakPolarHBondContact O-CE2 3.4Å; P321-F407 HydrophobicContact CB-CE2 4.3Å; P321-F407 HydrophobicContact CB-CZ 3.99Å; P321-F407 HydrophobicContact CG-CE1 4.35Å; P321-F407 HydrophobicContact CG-CE2 4.17Å; P321-F407 HydrophobicContact CG-CZ 3.82Å; H328-F407 HydrophobicContact CB-CE2 3.94Å; H328-F407 HydrophobicContact CB-CZ 3.8Å; H328-F407 AromaticContact CD2-CE2 3.23Å; H328-F407 WeakPolarHBondContact CD2-CE2 3.26Å; H328-F407 AromaticContact CD2-CZ 3.38Å; H328-F407 WeakPolarHBondContact CD2-CZ 3.47Å; H328-F407 AromaticContact CG-CE2 3.76Å; H328-F407 AromaticContact CG-CZ 3.56Å; H328-F407 AromaticContact NE2-CZ 4Å; L402-F407 HydrophobicContact CD2-CE1 4.03Å; L402-F407 HydrophobicContact CD2-CZ 3.71Å; I405-F407 HydrophobicContact CD1-CD1 4.26Å; I405-F407 HydrophobicContact CD1-CE1 3.91Å; I405-F407 HydrophobicContact CG1-CD1 4.24Å; I405-F407 HydrophobicContact CG1-CE1 4.04Å
408	Y	94.8	Very high	95.9	Very high	119 Å²	119	40.6 Å²	40.6	47%	0.467	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-147.9	-140.5	-173.3	-162.2	-107.4	0	0	0	110.9	T315 A316 G364 Q366 V373 R406	T315-Y408 CarbonylContact C-O 3.29Å; T315-Y408 WeakPolarHBondContact CA-O 3.32Å; T315-Y408 VanDerWaalsContact CB-O 3.29Å; T315-Y408 WeakPolarHBondContact CB-O 3.47Å; A316-Y408 PolarHBondContact N-O 2.92Å; G364-Y408 CarbonylContact O-C 3.48Å; G364-Y408 VanDerWaalsContact O-CA 3.31Å; G364-Y408 WeakPolarHBondContact O-CA 3.31Å; G364-Y408 PolarHBondContact O-N 3.12Å; Q366-Y408 HydrophobicContact CG-CD1 4.34Å; Q366-Y408 HydrophobicContact CG-CD2 4.44Å; Q366-Y408 HydrophobicContact CG-CG 3.99Å; V373-Y408 HydrophobicContact CB-CD1 4.2Å; V373-Y408 HydrophobicContact CG1-CD1 3.94Å; V373-Y408 HydrophobicContact CG2-CD1 3.21Å; V373-Y408 HydrophobicContact CG2-CE1 3.38Å; V373-Y408 HydrophobicContact CG2-CG 4.23Å; R406-Y408 PolarHBondContact O-N 3.12Å
409	G	91.4	Very high	95.8	Very high	16 Å²	16	42 Å²	42	17%	0.165	23%	0.229	C	C	.	.			trans	-175.6	-175.6	174.7	0	0	0	0	0	111.1	G364 V373	G364-G409 PolarHBondContact O-N 2.87Å; V373-G409 WeakPolarHBondContact CG1-O 3.35Å
410	P	94	Very high	95.9	Very high	61 Å²	61	39.9 Å²	39.9	40%	0.396	21%	0.213	S	C	.	.			cis	-72.6	172.3	-2.1	28.2	-37.6	0	0	0	115.2	H375 N412 S448	H375-P410 PolarHBondContact CE1-O 3.39Å; H375-P410 PolarHBondContact ND1-O 3.19Å; P410-N412 PolarHBondContact O-N 3.14Å; P410-S448 VanDerWaalsContact CB-CB 3.46Å; P410-S448 WeakPolarHBondContact CB-OG 3.4Å
411	T	93.8	Very high	96	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	19%	0.194	C	C	.	.			trans	-82.5	98.9	171.4	-43.2	0	0	0	0	109.8	D313 T315 F363 F413 V446 S448	D313-T411 WeakPolarHBondContact OD2-CG2 3.05Å; T315-T411 HydrophobicContact CG2-CG2 4.42Å; T315-T411 WeakPolarHBondContact CG2-OG1 3.3Å; F363-T411 HydrophobicContact CE2-CG2 3.98Å; T411-F413 HydrophobicContact CG2-CE1 3.89Å; T411-V446 WeakPolarHBondContact CB-O 3.49Å; T411-V446 WeakPolarHBondContact CG2-O 3.26Å; T411-V446 PolarHBondContact OG1-O 2.91Å; T411-S448 PolarHBondContact N-OG 3.45Å; T411-S448 WeakPolarHBondContact O-CB 3.45Å; T411-S448 PolarHBondContact O-N 3.29Å
412	N	95.1	Very high	96.1	Very high	27 Å²	27	44 Å²	44	14%	0.144	22%	0.219	C	C	.	.			trans	-118.8	121.6	-174.7	-72.3	-4	0	0	0	111.5	P410 P415 S448 D449	P410-N412 PolarHBondContact O-N 3.14Å; N412-P415 HydrophobicContact CB-CG 4.46Å; N412-S448 WeakPolarHBondContact OD1-CB 3.28Å; N412-D449 VanDerWaalsContact CA-CG 3.46Å; N412-D449 VanDerWaalsContact CA-OD1 3.26Å; N412-D449 WeakPolarHBondContact CA-OD1 3.15Å; N412-D449 WeakPolarHBondContact CA-OD2 3.17Å; N412-D449 HydrophobicContact CB-CB 4.28Å; N412-D449 VanDerWaalsContact CB-OD2 3.32Å; N412-D449 WeakPolarHBondContact CB-OD2 3.33Å
413	F	96.8	Very high	96	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	24%	0.236	C	C	.	.			trans	-96.5	-25.4	-179.9	-70.8	3.8	0	0	0	112.9	F363 T411 P415 I416 V417 I441 T443 I447 D449 T453 I469 M480	F363-F413 AromaticContact CE2-CD1 3.92Å; F363-F413 HydrophobicContact CE2-CD1 3.92Å; F363-F413 AromaticContact CE2-CE1 3.67Å; F363-F413 HydrophobicContact CE2-CE1 3.67Å; F363-F413 AromaticContact CZ-CD1 3.91Å; F363-F413 HydrophobicContact CZ-CD1 3.91Å; F363-F413 AromaticContact CZ-CE1 3.54Å; F363-F413 HydrophobicContact CZ-CE1 3.54Å; T411-F413 HydrophobicContact CG2-CE1 3.89Å; F413-P415 VanDerWaalsContact C-CD 3.42Å; F413-P415 VanDerWaalsContact C-N 3.31Å; F413-I416 VanDerWaalsContact O-CG2 3.27Å; F413-I416 WeakPolarHBondContact O-CG2 3.49Å; F413-I416 PolarHBondContact O-N 3Å; F413-V417 HydrophobicContact CB-CG2 4.46Å; F413-V417 WeakPolarHBondContact O-CG2 3.34Å; F413-V417 PolarHBondContact O-N 3.45Å; F413-I441 HydrophobicContact CB-CD1 4.41Å; F413-I441 HydrophobicContact CD1-CG2 4.22Å; F413-I441 HydrophobicContact CD2-CD1 3.93Å; F413-I441 HydrophobicContact CD2-CG2 4.35Å; F413-I441 HydrophobicContact CE1-CG2 3.77Å; F413-I441 HydrophobicContact CE2-CD1 4.36Å; F413-I441 HydrophobicContact CE2-CG2 3.89Å; F413-I441 HydrophobicContact CG-CD1 4.11Å; F413-I441 HydrophobicContact CZ-CG2 3.58Å; F413-T443 HydrophobicContact CE2-CG2 4.49Å; F413-T443 HydrophobicContact CZ-CG2 3.66Å; F413-I447 HydrophobicContact CD2-CD1 3.64Å; F413-I447 HydrophobicContact CD2-CG1 4.05Å; F413-I447 HydrophobicContact CE2-CD1 3.58Å; F413-I447 HydrophobicContact CE2-CG1 3.8Å; F413-I447 HydrophobicContact CG-CD1 4.48Å; F413-I447 HydrophobicContact CZ-CD1 4.37Å; F413-I447 HydrophobicContact CZ-CG1 4.1Å; F413-D449 PolarHBondContact N-OD1 3.21Å; F413-D449 PolarHBondContact N-OD2 2.79Å; F413-T453 HydrophobicContact CB-CG2 3.86Å; F413-T453 WeakPolarHBondContact CB-OG1 3.36Å; F413-T453 HydrophobicContact CD2-CG2 4.42Å; F413-I469 HydrophobicContact CE2-CD1 4.23Å; F413-I469 HydrophobicContact CE2-CG2 4.37Å; F413-M480 HydrophobicContact CE2-CE 4.4Å; F413-M480 HydrophobicContact CZ-CE 4.21Å
414	S	97	Very high	96.1	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-53.8	-41.7	-176.3	-167.4	0	0	0	0	113.1	I416 N418 D449 E452 T453	S414-I416 PolarHBondContact O-N 3.22Å; S414-N418 VanDerWaalsContact O-CB 3.29Å; S414-N418 WeakPolarHBondContact O-CB 3.22Å; S414-N418 VanDerWaalsContact O-CG 3.31Å; S414-N418 PolarHBondContact O-N 3.01Å; S414-N418 PolarHBondContact O-ND2 2.97Å; S414-N418 PolarHBondContact OG-ND2 3.43Å; S414-N418 VanDerWaalsContact OG-ND2 3.09Å; S414-D449 WeakPolarHBondContact CB-OD2 3.44Å; S414-D449 PolarHBondContact N-OD2 2.77Å; S414-E452 PolarHBondContact OG-O 2.7Å; S414-T453 PolarHBondContact N-OG1 3Å; S414-T453 VanDerWaalsContact N-OG1 3.13Å
415	P	97.4	Very high	96.3	Very high	42 Å²	42	40 Å²	40	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-58.3	-51.3	179.3	-27.3	38	0	0	0	113.4	H375 N412 F413 N418 H419	H375-P415 HydrophobicContact CB-CB 4.4Å; H375-P415 HydrophobicContact CB-CG 3.95Å; N412-P415 HydrophobicContact CB-CG 4.46Å; F413-P415 VanDerWaalsContact C-CD 3.42Å; F413-P415 VanDerWaalsContact C-N 3.31Å; P415-N418 PolarHBondContact O-N 3.24Å; P415-H419 PolarHBondContact O-N 3.34Å
416	I	97.3	Very high	96.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-72.4	-35.8	-176.4	-167.7	167	0	0	0	112.3	L361 F413 S414 H419 V420 L439 I441	L361-I416 HydrophobicContact CB-CD1 3.82Å; L361-I416 HydrophobicContact CD1-CD1 4.07Å; L361-I416 HydrophobicContact CD1-CG1 4.08Å; F413-I416 VanDerWaalsContact O-CG2 3.27Å; F413-I416 WeakPolarHBondContact O-CG2 3.49Å; F413-I416 PolarHBondContact O-N 3Å; S414-I416 PolarHBondContact O-N 3.22Å; I416-H419 WeakPolarHBondContact O-CB 3.39Å; I416-H419 PolarHBondContact O-N 2.94Å; I416-V420 PolarHBondContact O-N 3.24Å; I416-V420 VanDerWaalsContact O-N 3.13Å; I416-L439 HydrophobicContact CD1-CD1 4.06Å; I416-L439 HydrophobicContact CG1-CD1 4.04Å; I416-L439 HydrophobicContact CG1-CD2 4.38Å; I416-L439 HydrophobicContact CG2-CD2 4.45Å; I416-I441 HydrophobicContact CG2-CD1 4.33Å
417	V	98.4	Very high	95.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-47.5	172.6	174.1	0	0	0	0	110	F413 H419 V420 A421 L439 I441 A456 A460 M465 I467	F413-V417 HydrophobicContact CB-CG2 4.46Å; F413-V417 WeakPolarHBondContact O-CG2 3.34Å; F413-V417 PolarHBondContact O-N 3.45Å; V417-H419 VanDerWaalsContact C-N 3.26Å; V417-H419 PolarHBondContact O-N 3.21Å; V417-V420 PolarHBondContact O-N 3.01Å; V417-A421 VanDerWaalsContact O-CB 3.23Å; V417-A421 WeakPolarHBondContact O-CB 3.42Å; V417-A421 PolarHBondContact O-N 2.49Å; V417-L439 HydrophobicContact CG2-CD2 4.05Å; V417-I441 HydrophobicContact CG2-CD1 4.2Å; V417-A456 HydrophobicContact CB-CB 4.18Å; V417-A456 HydrophobicContact CG1-CB 3.75Å; V417-A460 HydrophobicContact CG1-CB 4.42Å; V417-M465 HydrophobicContact CG1-CE 4.42Å; V417-I467 HydrophobicContact CG1-CD1 3.87Å; V417-I467 HydrophobicContact CG2-CD1 4.08Å
418	N	98.3	Very high	95.7	Very high	64 Å²	64	41.2 Å²	41.2	34%	0.342	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-29	177.3	-77	-51.4	0	0	0	112.9	S414 P415 R422	S414-N418 VanDerWaalsContact O-CB 3.29Å; S414-N418 WeakPolarHBondContact O-CB 3.22Å; S414-N418 VanDerWaalsContact O-CG 3.31Å; S414-N418 PolarHBondContact O-N 3.01Å; S414-N418 PolarHBondContact O-ND2 2.97Å; S414-N418 PolarHBondContact OG-ND2 3.43Å; S414-N418 VanDerWaalsContact OG-ND2 3.09Å; P415-N418 PolarHBondContact O-N 3.24Å; N418-R422 WeakPolarHBondContact O-CG 3.12Å; N418-R422 PolarHBondContact O-N 3.35Å; N418-R422 VanDerWaalsContact O-N 3.11Å; N418-R422 PolarHBondContact O-NE 3.37Å
419	H	96.8	Very high	95.4	Very high	30 Å²	30	43.3 Å²	43.3	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-52.7	175.4	-171.8	126.4	0	0	0	112.1	E376 P415 I416 V417 A421 R422 F423	E376-H419 IonicContact OE1-CE1 2.7Å; E376-H419 PolarHBondContact OE1-CE1 2.94Å; E376-H419 IonicContact OE1-CG 2.68Å; E376-H419 IonicContact OE1-ND1 3.68Å; E376-H419 PolarHBondContact OE1-ND1 3.48Å; E376-H419 WeakPolarHBondContact OE2-CB 3.44Å; E376-H419 IonicContact OE2-CG 2.63Å; E376-H419 IonicContact OE2-ND1 3.66Å; E376-H419 PolarHBondContact OE2-ND1 3.42Å; P415-H419 PolarHBondContact O-N 3.34Å; I416-H419 WeakPolarHBondContact O-CB 3.39Å; I416-H419 PolarHBondContact O-N 2.94Å; V417-H419 VanDerWaalsContact C-N 3.26Å; V417-H419 PolarHBondContact O-N 3.21Å; H419-A421 VanDerWaalsContact C-N 3.32Å; H419-A421 PolarHBondContact O-N 3.43Å; H419-R422 VanDerWaalsContact CA-NH2 3.33Å; H419-R422 WeakPolarHBondContact O-CB 3.44Å; H419-R422 PolarHBondContact O-N 2.98Å; H419-F423 AromaticContact CD2-CD2 3.99Å; H419-F423 AromaticContact CD2-CE2 3.44Å; H419-F423 VanDerWaalsContact CD2-CE2 3.44Å; H419-F423 WeakPolarHBondContact CD2-CE2 3.47Å; H419-F423 AromaticContact NE2-CE2 3.39Å; H419-F423 WeakPolarHBondContact NE2-CE2 3.36Å; H419-F423 WeakPolarHBondContact O-CD2 3.08Å
420	V	98	Very high	95	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-39.3	177.8	-178.9	0	0	0	0	110.7	T309 I416 V417 R422 F423 A424 F437 L439 M465	T309-V420 HydrophobicContact CG2-CG2 3.84Å; I416-V420 PolarHBondContact O-N 3.24Å; I416-V420 VanDerWaalsContact O-N 3.13Å; V417-V420 PolarHBondContact O-N 3.01Å; V420-R422 VanDerWaalsContact C-N 3.25Å; V420-R422 PolarHBondContact O-N 3.39Å; V420-F423 PolarHBondContact O-N 3.19Å; V420-A424 PolarHBondContact O-N 2.79Å; V420-F437 HydrophobicContact CG1-CB 3.97Å; V420-F437 HydrophobicContact CG1-CD1 4.42Å; V420-L439 HydrophobicContact CB-CB 4.47Å; V420-L439 HydrophobicContact CB-CD2 4.46Å; V420-L439 HydrophobicContact CG1-CB 4.38Å; V420-L439 HydrophobicContact CG2-CB 4.16Å; V420-L439 HydrophobicContact CG2-CD1 4.01Å; V420-L439 HydrophobicContact CG2-CD2 4.09Å; V420-L439 HydrophobicContact CG2-CG 4.3Å; V420-M465 HydrophobicContact CG1-CE 4.42Å
421	A	98.4	Very high	94.7	Very high	10 Å²	10	49.7 Å²	49.7	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-35.5	175.9	0	0	0	0	0	112.9	V417 H419 F423 A424 A425 L463 M465	V417-A421 VanDerWaalsContact O-CB 3.23Å; V417-A421 WeakPolarHBondContact O-CB 3.42Å; V417-A421 PolarHBondContact O-N 2.49Å; H419-A421 VanDerWaalsContact C-N 3.32Å; H419-A421 PolarHBondContact O-N 3.43Å; A421-F423 VanDerWaalsContact C-N 3.32Å; A421-F423 PolarHBondContact O-N 3.12Å; A421-A424 PolarHBondContact O-N 3.23Å; A421-A425 VanDerWaalsContact O-CB 3.26Å; A421-A425 WeakPolarHBondContact O-CB 3.35Å; A421-A425 PolarHBondContact O-N 3.02Å; A421-L463 HydrophobicContact CB-CD1 3.81Å; A421-L463 WeakPolarHBondContact O-CD1 3.47Å; A421-M465 VanDerWaalsContact CA-SD 3.6Å; A421-M465 HydrophobicContact CB-CE 4.47Å; A421-M465 HydrophobicContact CB-SD 3.77Å
422	R	97.2	Very high	94.5	Very high	137 Å²	137	51 Å²	51	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-37.5	175.8	-81.6	176.9	-84.5	134.6	-12.7	112.7	N418 H419 V420	N418-R422 WeakPolarHBondContact O-CG 3.12Å; N418-R422 PolarHBondContact O-N 3.35Å; N418-R422 VanDerWaalsContact O-N 3.11Å; N418-R422 PolarHBondContact O-NE 3.37Å; H419-R422 VanDerWaalsContact CA-NH2 3.33Å; H419-R422 WeakPolarHBondContact O-CB 3.44Å; H419-R422 PolarHBondContact O-N 2.98Å; V420-R422 VanDerWaalsContact C-N 3.25Å; V420-R422 PolarHBondContact O-N 3.39Å
423	F	94.6	Very high	94.3	Very high	95 Å²	95	49.8 Å²	49.8	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-75.8	-43.5	175.1	-64.5	-70.8	0	0	0	111.8	H419 V420 A421 A425 Q426 A427 F437	H419-F423 AromaticContact CD2-CD2 3.99Å; H419-F423 AromaticContact CD2-CE2 3.44Å; H419-F423 VanDerWaalsContact CD2-CE2 3.44Å; H419-F423 WeakPolarHBondContact CD2-CE2 3.47Å; H419-F423 AromaticContact NE2-CE2 3.39Å; H419-F423 WeakPolarHBondContact NE2-CE2 3.36Å; H419-F423 WeakPolarHBondContact O-CD2 3.08Å; V420-F423 PolarHBondContact O-N 3.19Å; A421-F423 VanDerWaalsContact C-N 3.32Å; A421-F423 PolarHBondContact O-N 3.12Å; F423-A425 PolarHBondContact O-N 3.32Å; F423-Q426 WeakPolarHBondContact O-CB 3.23Å; F423-Q426 PolarHBondContact O-N 3.39Å; F423-A427 PolarHBondContact O-N 2.9Å; F423-F437 HydrophobicContact CB-CD1 4.23Å; F423-F437 HydrophobicContact CB-CE1 3.6Å; F423-F437 HydrophobicContact CB-CZ 4.06Å
424	A	97.4	Very high	94.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-36.8	175.1	0	0	0	0	0	111.9	V420 A421 Q426 A427 F437 L463 P464 M465	V420-A424 PolarHBondContact O-N 2.79Å; A421-A424 PolarHBondContact O-N 3.23Å; A424-Q426 VanDerWaalsContact C-N 3.31Å; A424-Q426 PolarHBondContact O-N 3.37Å; A424-A427 PolarHBondContact O-N 3.23Å; A424-F437 HydrophobicContact CB-CB 4.29Å; A424-F437 HydrophobicContact CB-CD2 3.72Å; A424-F437 HydrophobicContact CB-CE2 4.27Å; A424-F437 HydrophobicContact CB-CG 4.02Å; A424-L463 HydrophobicContact CB-CB 4Å; A424-L463 HydrophobicContact CB-CD1 4.37Å; A424-P464 HydrophobicContact CB-CG 4.2Å; A424-P464 VanDerWaalsContact O-CD 3.24Å; A424-P464 WeakPolarHBondContact O-CD 3.45Å; A424-P464 WeakPolarHBondContact O-CG 3.44Å; A424-M465 HydrophobicContact CB-CB 4.03Å; A424-M465 HydrophobicContact CB-CG 4.35Å; A424-M465 HydrophobicContact CB-SD 4.13Å
425	A	97.3	Very high	94.1	Very high	38 Å²	38	53.8 Å²	53.8	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-35.3	174.9	0	0	0	0	0	113.1	A421 F423 A427 T428 L463	A421-A425 VanDerWaalsContact O-CB 3.26Å; A421-A425 WeakPolarHBondContact O-CB 3.35Å; A421-A425 PolarHBondContact O-N 3.02Å; F423-A425 PolarHBondContact O-N 3.32Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 2.99Å; A425-T428 WeakPolarHBondContact O-CB 3.36Å; A425-T428 WeakPolarHBondContact O-CG2 3.5Å; A425-T428 PolarHBondContact O-N 3.44Å; A425-T428 PolarHBondContact O-OG1 2.84Å; A425-L463 HydrophobicContact CB-CD1 4.16Å; A425-L463 HydrophobicContact CB-CD2 4.09Å
426	Q	93	Very high	94.1	Very high	128 Å²	128	51.8 Å²	51.8	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-67.4	-35.1	176.7	-64.4	171.8	22.3	0	0	111.6	F423 A424 T428 Q429	F423-Q426 WeakPolarHBondContact O-CB 3.23Å; F423-Q426 PolarHBondContact O-N 3.39Å; A424-Q426 VanDerWaalsContact C-N 3.31Å; A424-Q426 PolarHBondContact O-N 3.37Å; Q426-T428 PolarHBondContact O-N 2.72Å; Q426-Q429 PolarHBondContact O-N 2.78Å
427	A	91.9	Very high	94.1	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-13.5	176.7	0	0	0	0	0	113.7	F423 A424 A425 Q429 Q430 Q435 F437 P464	F423-A427 PolarHBondContact O-N 2.9Å; A424-A427 PolarHBondContact O-N 3.23Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 2.99Å; A427-Q429 PolarHBondContact O-N 2.86Å; A427-Q429 VanDerWaalsContact O-N 3.16Å; A427-Q430 VanDerWaalsContact O-CB 3.27Å; A427-Q430 WeakPolarHBondContact O-CB 3.44Å; A427-Q430 VanDerWaalsContact O-CG 3.24Å; A427-Q430 WeakPolarHBondContact O-CG 3.19Å; A427-Q430 PolarHBondContact O-N 3.05Å; A427-Q430 VanDerWaalsContact O-N 3.11Å; A427-Q430 PolarHBondContact O-OE1 2.85Å; A427-Q435 HydrophobicContact CB-CB 4.47Å; A427-F437 HydrophobicContact CB-CE2 3.76Å; A427-F437 HydrophobicContact CB-CZ 4.47Å; A427-P464 HydrophobicContact CB-CG 3.95Å
428	T	90.9	Very high	94.1	Very high	66 Å²	66	52.7 Å²	52.7	41%	0.405	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.2	176.6	67	0	0	0	0	114.1	A425 Q426 Q430 L463	A425-T428 WeakPolarHBondContact O-CB 3.36Å; A425-T428 WeakPolarHBondContact O-CG2 3.5Å; A425-T428 PolarHBondContact O-N 3.44Å; A425-T428 PolarHBondContact O-OG1 2.84Å; Q426-T428 PolarHBondContact O-N 2.72Å; T428-Q430 PolarHBondContact O-N 3.4Å; T428-L463 HydrophobicContact CG2-CD2 3.83Å
429	Q	87.7	Confident	94.1	Very high	163 Å²	163	49.7 Å²	49.7	76%	0.762	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.5	176.4	-60.3	-176.5	-4.2	0	0	113.1	Q426 A427	Q426-Q429 PolarHBondContact O-N 2.78Å; A427-Q429 PolarHBondContact O-N 2.86Å; A427-Q429 VanDerWaalsContact O-N 3.16Å
430	Q	83.7	Confident	94.2	Very high	49 Å²	49	48.2 Å²	48.2	23%	0.229	24%	0.237	C	C	.	.			trans	-70.8	139.8	-178.7	-64.3	170.9	-11.7	0	0	111	A427 T428 T434	A427-Q430 VanDerWaalsContact O-CB 3.27Å; A427-Q430 WeakPolarHBondContact O-CB 3.44Å; A427-Q430 VanDerWaalsContact O-CG 3.24Å; A427-Q430 WeakPolarHBondContact O-CG 3.19Å; A427-Q430 PolarHBondContact O-N 3.05Å; A427-Q430 VanDerWaalsContact O-N 3.11Å; A427-Q430 PolarHBondContact O-OE1 2.85Å; T428-Q430 PolarHBondContact O-N 3.4Å; Q430-T434 PolarHBondContact NE2-OG1 2.93Å; Q430-T434 PolarHBondContact OE1-OG1 3.27Å
431	Q	86.9	Confident	94.2	Very high	162 Å²	162	48.2 Å²	48.2	76%	0.757	24%	0.237	S	C	*	.	S	Bend	trans	-87.2	-10.6	177.8	-62.6	-63.2	-44.1	0	0	112.8
432	T	90.2	Very high	94.2	Very high	38 Å²	38	47.7 Å²	47.7	23%	0.233	23%	0.233	C	C	.	.	S	Bend	trans	-136.4	163	178.5	63.4	0	0	0	0	109.6	T434 P541 T543	T432-T434 VanDerWaalsContact C-N 3.28Å; T432-T434 PolarHBondContact O-N 2.92Å; T432-P541 WeakPolarHBondContact CA-O 3.12Å; T432-T543 PolarHBondContact OG1-OG1 2.78Å
433	A	92.1	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.			trans	-76	70.9	-178.6	0	0	0	0	0	112.3	Y299 C304 F535 L540 P541	Y299-A433 HydrophobicContact CD1-CB 3.39Å; Y299-A433 HydrophobicContact CE1-CB 3.58Å; Y299-A433 HydrophobicContact CG-CB 4.47Å; C304-A433 WeakPolarHBondContact CA-O 3.48Å; C304-A433 WeakPolarHBondContact CB-O 3.46Å; C304-A433 PolarHBondContact SG-O 2.94Å; C304-A433 VanDerWaalsContact SG-O 3.37Å; A433-F535 HydrophobicContact CB-CB 4.36Å; A433-F535 HydrophobicContact CB-CD1 3.48Å; A433-F535 VanDerWaalsContact CB-CD1 3.48Å; A433-F535 HydrophobicContact CB-CD2 3.77Å; A433-F535 HydrophobicContact CB-CE1 3.54Å; A433-F535 HydrophobicContact CB-CE2 3.8Å; A433-F535 HydrophobicContact CB-CG 3.61Å; A433-F535 HydrophobicContact CB-CZ 3.71Å; A433-L540 HydrophobicContact CB-CB 4.5Å; A433-P541 PolarHBondContact N-O 3.47Å
434	T	92.4	Very high	94.1	Very high	37 Å²	37	37.2 Å²	37.2	23%	0.227	19%	0.191	C	C	.	.			trans	-90.3	-32.8	-175.6	39.2	0	0	0	0	115	C304 Q305 Q430 T432 T543	C304-T434 WeakPolarHBondContact CA-O 3.48Å; Q305-T434 PolarHBondContact N-O 3.09Å; Q430-T434 PolarHBondContact NE2-OG1 2.93Å; Q430-T434 PolarHBondContact OE1-OG1 3.27Å; T432-T434 VanDerWaalsContact C-N 3.28Å; T432-T434 PolarHBondContact O-N 2.92Å; T434-T543 HydrophobicContact CG2-CG2 4.45Å; T434-T543 WeakPolarHBondContact CG2-OG1 3.23Å
435	Q	95.4	Very high	93	Very high	62 Å²	62	37.5 Å²	37.5	29%	0.29	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.6	-175	-67.3	178.6	-55.5	0	0	111.7	M307 A427 F437	M307-Q435 HydrophobicContact CG-CB 4.29Å; M307-Q435 HydrophobicContact CG-CG 4.47Å; M307-Q435 HydrophobicContact SD-CG 4.27Å; M307-Q435 PolarHBondContact SD-NE2 3.2Å; M307-Q435 VanDerWaalsContact SD-NE2 3.45Å; A427-Q435 HydrophobicContact CB-CB 4.47Å; Q435-F437 HydrophobicContact CB-CE2 4.18Å
436	Y	97.8	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.1	171.6	-162.8	-85.6	0	0	0	109.7	Q305 L306 M307 I438 P464 M465 S466 R500 L527 Q530 V531 Y534 F535	Q305-Y436 PolarHBondContact O-N 2.69Å; L306-Y436 CarbonylContact C-O 3.51Å; L306-Y436 WeakPolarHBondContact CA-O 3.49Å; M307-Y436 PolarHBondContact N-O 2.8Å; Y436-I438 HydrophobicContact CD1-CG1 4.49Å; Y436-P464 HydrophobicContact CD2-CB 4.01Å; Y436-P464 HydrophobicContact CE2-CB 4.44Å; Y436-M465 PolarHBondContact OH-O 3.37Å; Y436-S466 WeakPolarHBondContact CE1-OG 3.4Å; Y436-S466 PolarHBondContact OH-OG 2.68Å; Y436-R500 PolarHBondContact OH-NH1 3.49Å; Y436-R500 PolarHBondContact OH-NH2 2.95Å; Y436-L527 HydrophobicContact CE1-CD1 4.17Å; Y436-Q530 PolarHBondContact OH-O 2.85Å; Y436-V531 HydrophobicContact CD1-CG2 3.67Å; Y436-V531 HydrophobicContact CD2-CB 4.43Å; Y436-V531 HydrophobicContact CD2-CG1 4.34Å; Y436-V531 HydrophobicContact CD2-CG2 4.06Å; Y436-V531 HydrophobicContact CE1-CG2 3.7Å; Y436-V531 HydrophobicContact CE2-CB 4.34Å; Y436-V531 HydrophobicContact CE2-CG2 4.07Å; Y436-V531 HydrophobicContact CG-CG2 3.84Å; Y436-Y534 HydrophobicContact CD2-CD1 4.4Å; Y436-Y534 HydrophobicContact CE2-CD1 4.19Å; Y436-Y534 HydrophobicContact CE2-CG 4.13Å; Y436-F535 AromaticContact CD2-CE2 3.99Å; Y436-F535 HydrophobicContact CD2-CE2 3.99Å; Y436-F535 AromaticContact CD2-CZ 3.99Å; Y436-F535 HydrophobicContact CD2-CZ 3.99Å
437	F	98.3	Very high	92.1	Very high	22 Å²	22	34.3 Å²	34.3	10%	0.096	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.8	-171.3	-65.8	-102.4	0	0	0	111.3	M307 V420 F423 A424 A427 Q435 P464 M465 S466	M307-F437 HydrophobicContact CB-CD1 3.64Å; M307-F437 HydrophobicContact CB-CE1 3.89Å; M307-F437 HydrophobicContact CB-CG 4.11Å; M307-F437 HydrophobicContact CG-CD1 4.05Å; M307-F437 HydrophobicContact CG-CE1 3.87Å; M307-F437 HydrophobicContact CG-CE2 4.37Å; M307-F437 HydrophobicContact CG-CG 4.39Å; M307-F437 HydrophobicContact CG-CZ 4.04Å; M307-F437 CarbonylContact O-C 3.44Å; M307-F437 WeakPolarHBondContact O-CA 3.49Å; V420-F437 HydrophobicContact CG1-CB 3.97Å; V420-F437 HydrophobicContact CG1-CD1 4.42Å; F423-F437 HydrophobicContact CB-CD1 4.23Å; F423-F437 HydrophobicContact CB-CE1 3.6Å; F423-F437 HydrophobicContact CB-CZ 4.06Å; A424-F437 HydrophobicContact CB-CB 4.29Å; A424-F437 HydrophobicContact CB-CD2 3.72Å; A424-F437 HydrophobicContact CB-CE2 4.27Å; A424-F437 HydrophobicContact CB-CG 4.02Å; A427-F437 HydrophobicContact CB-CE2 3.76Å; A427-F437 HydrophobicContact CB-CZ 4.47Å; Q435-F437 HydrophobicContact CB-CE2 4.18Å; F437-P464 HydrophobicContact CD2-CG 4.4Å; F437-P464 WeakPolarHBondContact CD2-O 3.36Å; F437-P464 PolarHBondContact N-O 2.97Å; F437-M465 HydrophobicContact CB-CB 3.93Å; F437-M465 CarbonylContact O-C 3.57Å; F437-M465 WeakPolarHBondContact O-CA 3.37Å; F437-S466 PolarHBondContact O-N 3.14Å
438	I	98.3	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.5	178.7	-57.7	166.4	0	0	0	107.7	L306 M307 F308 T309 I349 Y436 I468 L527	L306-I438 HydrophobicContact CB-CD1 3.81Å; L306-I438 HydrophobicContact CD1-CD1 4.07Å; L306-I438 HydrophobicContact CD2-CD1 4.45Å; L306-I438 HydrophobicContact CG-CD1 4.33Å; M307-I438 PolarHBondContact O-N 2.9Å; F308-I438 HydrophobicContact CD2-CB 4.15Å; F308-I438 HydrophobicContact CD2-CG2 3.97Å; F308-I438 HydrophobicContact CE2-CG2 4.26Å; T309-I438 PolarHBondContact N-O 3.41Å; I349-I438 HydrophobicContact CD1-CD1 3.77Å; I349-I438 HydrophobicContact CG1-CD1 4.32Å; I349-I438 HydrophobicContact CG2-CD1 3.91Å; Y436-I438 HydrophobicContact CD1-CG1 4.49Å; I438-I468 HydrophobicContact CG2-CD1 3.85Å; I438-I468 HydrophobicContact CG2-CG1 4.4Å; I438-L527 HydrophobicContact CD1-CD1 4.19Å; I438-L527 HydrophobicContact CD1-CD2 3.47Å; I438-L527 VanDerWaalsContact CD1-CD2 3.47Å; I438-L527 HydrophobicContact CD1-CG 4.41Å; I438-L527 HydrophobicContact CG1-CD1 4.04Å; I438-L527 HydrophobicContact CG1-CD2 4.16Å
439	L	98.6	Very high	92.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112	171	172.8	56.9	0	0	0	109.2	T309 I416 V417 V420 I441 S466 I467 I468	T309-L439 HydrophobicContact CG2-CD1 3.99Å; T309-L439 WeakPolarHBondContact O-CA 3.5Å; I416-L439 HydrophobicContact CD1-CD1 4.06Å; I416-L439 HydrophobicContact CG1-CD1 4.04Å; I416-L439 HydrophobicContact CG1-CD2 4.38Å; I416-L439 HydrophobicContact CG2-CD2 4.45Å; V417-L439 HydrophobicContact CG2-CD2 4.05Å; V420-L439 HydrophobicContact CB-CB 4.47Å; V420-L439 HydrophobicContact CB-CD2 4.46Å; V420-L439 HydrophobicContact CG1-CB 4.38Å; V420-L439 HydrophobicContact CG2-CB 4.16Å; V420-L439 HydrophobicContact CG2-CD1 4.01Å; V420-L439 HydrophobicContact CG2-CD2 4.09Å; V420-L439 HydrophobicContact CG2-CG 4.3Å; L439-I441 HydrophobicContact CD1-CG1 4.2Å; L439-I441 HydrophobicContact CD2-CD1 4.01Å; L439-I441 HydrophobicContact CD2-CG1 4.08Å; L439-I441 HydrophobicContact CG-CD1 4.3Å; L439-I441 HydrophobicContact CG-CG1 3.84Å; L439-S466 PolarHBondContact N-O 2.78Å; L439-I467 CarbonylContact O-C 3.58Å; L439-I467 WeakPolarHBondContact O-CA 3.26Å; L439-I468 PolarHBondContact O-N 3.13Å
440	L	98.4	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120	167.1	171.6	63.4	0	0	0	109.5	F308 T309 V310 G311 V345 I442 I468 V470	F308-L440 HydrophobicContact CE2-CB 3.69Å; F308-L440 HydrophobicContact CE2-CD2 4.34Å; F308-L440 HydrophobicContact CZ-CB 3.95Å; F308-L440 HydrophobicContact CZ-CD2 3.82Å; T309-L440 PolarHBondContact O-N 2.67Å; V310-L440 CarbonylContact C-O 3.54Å; V310-L440 WeakPolarHBondContact CA-O 3.47Å; V310-L440 HydrophobicContact CG1-CD2 4.36Å; V310-L440 HydrophobicContact CG2-CD2 4.41Å; G311-L440 PolarHBondContact N-O 3.09Å; V345-L440 HydrophobicContact CB-CD2 3.97Å; V345-L440 HydrophobicContact CG1-CD2 4.23Å; V345-L440 HydrophobicContact CG2-CD1 4.26Å; V345-L440 HydrophobicContact CG2-CD2 4.15Å; L440-I442 HydrophobicContact CD1-CG1 4.19Å; L440-I442 HydrophobicContact CD2-CD1 4.08Å; L440-I442 HydrophobicContact CD2-CG1 4.23Å; L440-I442 HydrophobicContact CG-CD1 4.36Å; L440-I442 HydrophobicContact CG-CG1 3.98Å; L440-I468 CarbonylContact C-O 3.57Å; L440-I468 WeakPolarHBondContact CA-O 3.37Å; L440-I468 HydrophobicContact CD1-CB 4.15Å; L440-I468 HydrophobicContact CD1-CG2 3.67Å; L440-V470 HydrophobicContact CD1-CG2 3.81Å
441	I	98.4	Very high	93.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.4	171.3	-55.6	-179.3	0	0	0	108.3	G311 F363 F413 I416 V417 L439 I467 I468 I469 V470	G311-I441 WeakPolarHBondContact O-CA 3.3Å; F363-I441 HydrophobicContact CE1-CG2 4.11Å; F363-I441 HydrophobicContact CZ-CG2 3.97Å; F413-I441 HydrophobicContact CB-CD1 4.41Å; F413-I441 HydrophobicContact CD1-CG2 4.22Å; F413-I441 HydrophobicContact CD2-CD1 3.93Å; F413-I441 HydrophobicContact CD2-CG2 4.35Å; F413-I441 HydrophobicContact CE1-CG2 3.77Å; F413-I441 HydrophobicContact CE2-CD1 4.36Å; F413-I441 HydrophobicContact CE2-CG2 3.89Å; F413-I441 HydrophobicContact CG-CD1 4.11Å; F413-I441 HydrophobicContact CZ-CG2 3.58Å; I416-I441 HydrophobicContact CG2-CD1 4.33Å; V417-I441 HydrophobicContact CG2-CD1 4.2Å; L439-I441 HydrophobicContact CD1-CG1 4.2Å; L439-I441 HydrophobicContact CD2-CD1 4.01Å; L439-I441 HydrophobicContact CD2-CG1 4.08Å; L439-I441 HydrophobicContact CG-CD1 4.3Å; L439-I441 HydrophobicContact CG-CG1 3.84Å; I441-I467 HydrophobicContact CD1-CG2 3.98Å; I441-I467 HydrophobicContact CG1-CG2 4.37Å; I441-I468 PolarHBondContact N-O 2.93Å; I441-I469 HydrophobicContact CB-CG1 4.41Å; I441-I469 CarbonylContact O-C 3.54Å; I441-I469 WeakPolarHBondContact O-CA 3.37Å; I441-V470 PolarHBondContact O-N 3.15Å
442	I	98.2	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.4	174.4	-48.4	166.5	0	0	0	107.9	V310 G311 D313 Y338 A341 I342 L440 V470 V472	V310-I442 HydrophobicContact CG1-CD1 4.43Å; G311-I442 PolarHBondContact O-N 3.15Å; D313-I442 WeakPolarHBondContact CB-O 3.38Å; D313-I442 PolarHBondContact N-O 3.49Å; Y338-I442 HydrophobicContact CD1-CB 3.79Å; Y338-I442 HydrophobicContact CD1-CG2 3.35Å; Y338-I442 HydrophobicContact CE1-CB 3.97Å; Y338-I442 HydrophobicContact CE1-CG2 3.61Å; Y338-I442 HydrophobicContact CG-CG2 4.06Å; A341-I442 HydrophobicContact CB-CD1 3.88Å; A341-I442 HydrophobicContact CB-CG1 4.25Å; A341-I442 HydrophobicContact CB-CG2 4.37Å; I342-I442 HydrophobicContact CD1-CD1 4.33Å; I342-I442 HydrophobicContact CG1-CD1 3.53Å; L440-I442 HydrophobicContact CD1-CG1 4.19Å; L440-I442 HydrophobicContact CD2-CD1 4.08Å; L440-I442 HydrophobicContact CD2-CG1 4.23Å; L440-I442 HydrophobicContact CG-CD1 4.36Å; L440-I442 HydrophobicContact CG-CG1 3.98Å; I442-V470 WeakPolarHBondContact CA-O 3.24Å; I442-V472 HydrophobicContact CG2-CG1 3.71Å; I442-V472 HydrophobicContact CG2-CG2 4.41Å
443	T	96.7	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154	-170.9	-179.5	0	0	0	0	111.4	D313 F413 G445 I469 V470 G471 V472 M480	D313-T443 WeakPolarHBondContact OD2-CB 3.4Å; D313-T443 PolarHBondContact OD2-OG1 2.98Å; F413-T443 HydrophobicContact CE2-CG2 4.49Å; F413-T443 HydrophobicContact CZ-CG2 3.66Å; T443-G445 PolarHBondContact OG1-N 2.97Å; T443-I469 HydrophobicContact CG2-CG2 4.14Å; T443-V470 PolarHBondContact N-O 3.15Å; T443-G471 CarbonylContact O-C 3.53Å; T443-G471 WeakPolarHBondContact O-CA 3.32Å; T443-V472 VanDerWaalsContact O-CG2 3.28Å; T443-V472 WeakPolarHBondContact O-CG2 3.44Å; T443-V472 PolarHBondContact O-N 3.09Å; T443-M480 HydrophobicContact CG2-CE 3.81Å
444	D	92.4	Very high	94.1	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.064	16%	0.157	C	C	.	.	S	Bend	trans	-94.5	4	173.6	72.4	-41.9	0	0	0	114.5	S317 N318 L327 V472 A475	S317-D444 WeakPolarHBondContact CB-OD2 3.43Å; S317-D444 VanDerWaalsContact OG-CG 3.29Å; S317-D444 PolarHBondContact OG-OD1 3.14Å; S317-D444 PolarHBondContact OG-OD2 2.76Å; N318-D444 PolarHBondContact N-OD2 2.84Å; N318-D444 VanDerWaalsContact N-OD2 3.16Å; N318-D444 PolarHBondContact ND2-OD1 3.27Å; N318-D444 PolarHBondContact ND2-OD2 3.25Å; N318-D444 VanDerWaalsContact OD1-CB 3.26Å; N318-D444 WeakPolarHBondContact OD1-CB 3.47Å; N318-D444 VanDerWaalsContact OD1-CG 3.27Å; L327-D444 HydrophobicContact CD1-CB 3.32Å; D444-V472 WeakPolarHBondContact CA-O 3.31Å; D444-V472 HydrophobicContact CB-CG2 4.13Å; D444-A475 WeakPolarHBondContact O-CB 3.35Å
445	G	74.4	Confident	94.4	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	108.4	149.9	166.2	0	0	0	0	0	114.6	T443	T443-G445 PolarHBondContact OG1-N 2.97Å
446	V	81.8	Confident	94.5	Very high	87 Å²	87	28.3 Å²	28.3	53%	0.527	15%	0.146	S	C	.	.			trans	83.9	101.4	-173.7	-167.7	0	0	0	0	113.8	T411	T411-V446 WeakPolarHBondContact CB-O 3.49Å; T411-V446 WeakPolarHBondContact CG2-O 3.26Å; T411-V446 PolarHBondContact OG1-O 2.91Å
447	I	89.9	Confident	94.5	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.067	15%	0.148	C	C	.	.			trans	-82.2	123.2	170.7	-53.5	177.8	0	0	0	108.4	F413 D449 M450 T453 M480 L483	F413-I447 HydrophobicContact CD2-CD1 3.64Å; F413-I447 HydrophobicContact CD2-CG1 4.05Å; F413-I447 HydrophobicContact CE2-CD1 3.58Å; F413-I447 HydrophobicContact CE2-CG1 3.8Å; F413-I447 HydrophobicContact CG-CD1 4.48Å; F413-I447 HydrophobicContact CZ-CD1 4.37Å; F413-I447 HydrophobicContact CZ-CG1 4.1Å; I447-D449 VanDerWaalsContact CG2-OD1 3.27Å; I447-D449 WeakPolarHBondContact CG2-OD1 3.4Å; I447-M450 HydrophobicContact CB-CE 4.12Å; I447-M450 HydrophobicContact CD1-CE 3.97Å; I447-M450 HydrophobicContact CG1-CE 4.45Å; I447-T453 HydrophobicContact CG2-CG2 4.49Å; I447-M480 HydrophobicContact CD1-CE 4.05Å; I447-M480 HydrophobicContact CD1-SD 4.35Å; I447-M480 HydrophobicContact CG1-CE 3.52Å; I447-M480 HydrophobicContact CG1-SD 4.24Å; I447-L483 HydrophobicContact CD1-CD1 3.41Å; I447-L483 VanDerWaalsContact CD1-CD1 3.41Å
448	S	93.1	Very high	94.4	Very high	68 Å²	68	27.5 Å²	27.5	48%	0.476	14%	0.143	S	C	.	.	S	Bend	trans	-85.3	-32.2	-179.7	-59.7	0	0	0	0	112.6	P410 T411 N412	P410-S448 VanDerWaalsContact CB-CB 3.46Å; P410-S448 WeakPolarHBondContact CB-OG 3.4Å; T411-S448 PolarHBondContact N-OG 3.45Å; T411-S448 WeakPolarHBondContact O-CB 3.45Å; T411-S448 PolarHBondContact O-N 3.29Å; N412-S448 WeakPolarHBondContact OD1-CB 3.28Å
449	D	94.7	Very high	94.4	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.07	16%	0.156	C	C	.	.			trans	-101.1	46.9	-179.9	69.4	-17.6	0	0	0	112	N412 F413 S414 I447 E451 E452 T453	N412-D449 VanDerWaalsContact CA-CG 3.46Å; N412-D449 VanDerWaalsContact CA-OD1 3.26Å; N412-D449 WeakPolarHBondContact CA-OD1 3.15Å; N412-D449 WeakPolarHBondContact CA-OD2 3.17Å; N412-D449 HydrophobicContact CB-CB 4.28Å; N412-D449 VanDerWaalsContact CB-OD2 3.32Å; N412-D449 WeakPolarHBondContact CB-OD2 3.33Å; F413-D449 PolarHBondContact N-OD1 3.21Å; F413-D449 PolarHBondContact N-OD2 2.79Å; S414-D449 WeakPolarHBondContact CB-OD2 3.44Å; S414-D449 PolarHBondContact N-OD2 2.77Å; I447-D449 VanDerWaalsContact CG2-OD1 3.27Å; I447-D449 WeakPolarHBondContact CG2-OD1 3.4Å; D449-E451 VanDerWaalsContact C-N 3.29Å; D449-E451 PolarHBondContact O-N 3.42Å; D449-E452 HydrophobicContact CB-CB 4.31Å; D449-E452 PolarHBondContact O-N 3.01Å; D449-T453 VanDerWaalsContact CG-OG1 3.3Å; D449-T453 VanDerWaalsContact O-CB 3.25Å; D449-T453 WeakPolarHBondContact O-CB 3.47Å; D449-T453 PolarHBondContact O-N 3.17Å; D449-T453 PolarHBondContact O-OG1 3.41Å; D449-T453 VanDerWaalsContact O-OG1 3.08Å; D449-T453 PolarHBondContact OD1-OG1 2.8Å; D449-T453 PolarHBondContact OD2-OG1 3.16Å
450	M	93.7	Very high	94.4	Very high	47 Å²	47	30.3 Å²	30.3	23%	0.232	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-38.9	-172.8	177.7	56.4	77.5	0	0	113	I447 R454 A479 L483	I447-M450 HydrophobicContact CB-CE 4.12Å; I447-M450 HydrophobicContact CD1-CE 3.97Å; I447-M450 HydrophobicContact CG1-CE 4.45Å; M450-R454 WeakPolarHBondContact O-CB 3.46Å; M450-R454 PolarHBondContact O-N 2.87Å; M450-A479 HydrophobicContact CE-CB 3.37Å; M450-A479 WeakPolarHBondContact CE-O 3.23Å; M450-L483 HydrophobicContact SD-CD2 4.16Å; M450-L483 HydrophobicContact SD-CG 4.4Å
451	E	94.8	Very high	94.4	Very high	117 Å²	117	30.4 Å²	30.4	55%	0.547	16%	0.157	S	C	.	.	H	α-helix	trans	-68.2	-41.9	-179.3	-65.2	-162.6	143.4	0	0	112.5	D449 H455	D449-E451 VanDerWaalsContact C-N 3.29Å; D449-E451 PolarHBondContact O-N 3.42Å; E451-H455 WeakPolarHBondContact O-CB 3.22Å; E451-H455 PolarHBondContact O-N 3.29Å
452	E	96.7	Very high	94.3	Very high	100 Å²	100	33.7 Å²	33.7	47%	0.467	17%	0.171	S	C	.	.	H	α-helix	trans	-71.6	-39.2	177.2	-65.2	78.2	-175.1	0	0	111.6	S414 D449 H455 A456	S414-E452 PolarHBondContact OG-O 2.7Å; D449-E452 HydrophobicContact CB-CB 4.31Å; D449-E452 PolarHBondContact O-N 3.01Å; E452-H455 PolarHBondContact O-N 2.99Å; E452-A456 WeakPolarHBondContact O-CB 3.42Å; E452-A456 PolarHBondContact O-N 3.34Å
453	T	96.8	Very high	94.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-48.5	175.5	-71.5	0	0	0	0	110.1	F413 S414 I447 D449 H455 A456 V457 L483	F413-T453 HydrophobicContact CB-CG2 3.86Å; F413-T453 WeakPolarHBondContact CB-OG1 3.36Å; F413-T453 HydrophobicContact CD2-CG2 4.42Å; S414-T453 PolarHBondContact N-OG1 3Å; S414-T453 VanDerWaalsContact N-OG1 3.13Å; I447-T453 HydrophobicContact CG2-CG2 4.49Å; D449-T453 VanDerWaalsContact CG-OG1 3.3Å; D449-T453 VanDerWaalsContact O-CB 3.25Å; D449-T453 WeakPolarHBondContact O-CB 3.47Å; D449-T453 PolarHBondContact O-N 3.17Å; D449-T453 PolarHBondContact O-OG1 3.41Å; D449-T453 VanDerWaalsContact O-OG1 3.08Å; D449-T453 PolarHBondContact OD1-OG1 2.8Å; D449-T453 PolarHBondContact OD2-OG1 3.16Å; T453-H455 VanDerWaalsContact C-N 3.29Å; T453-H455 PolarHBondContact O-N 3.26Å; T453-A456 PolarHBondContact O-N 3.45Å; T453-A456 VanDerWaalsContact O-N 3.1Å; T453-V457 HydrophobicContact CG2-CG2 4.38Å; T453-V457 WeakPolarHBondContact O-CG2 3.42Å; T453-V457 PolarHBondContact O-N 3.37Å; T453-L483 HydrophobicContact CG2-CD1 3.91Å; T453-L483 HydrophobicContact CG2-CD2 4.45Å
454	R	96.1	Very high	94.4	Very high	49 Å²	49	35.1 Å²	35.1	19%	0.185	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-42.1	175.6	-174.8	177.2	71.1	136.7	-17.2	112	M450 V458 L490 R491 S492	M450-R454 WeakPolarHBondContact O-CB 3.46Å; M450-R454 PolarHBondContact O-N 2.87Å; R454-V458 VanDerWaalsContact O-CG2 3.28Å; R454-V458 WeakPolarHBondContact O-CG2 3.21Å; R454-V458 PolarHBondContact O-N 2.79Å; R454-L490 HydrophobicContact CG-CD1 3.96Å; R454-L490 HydrophobicContact CG-CD2 4.28Å; R454-L490 HydrophobicContact CG-CG 4.02Å; R454-R491 WeakPolarHBondContact CD-O 3.45Å; R454-R491 WeakPolarHBondContact CG-O 3.42Å; R454-R491 PolarHBondContact NE-O 3.31Å; R454-R491 VanDerWaalsContact NE-O 3.11Å; R454-R491 PolarHBondContact NH1-O 2.82Å; R454-S492 PolarHBondContact NH1-O 3.39Å
455	H	97.3	Very high	94.6	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.278	18%	0.176	S	C	.	.	H	α-helix	trans	-63	-45.7	174.3	-178.4	81.9	0	0	0	112	E451 E452 T453 V457 V458 Q459 H493	E451-H455 WeakPolarHBondContact O-CB 3.22Å; E451-H455 PolarHBondContact O-N 3.29Å; E452-H455 PolarHBondContact O-N 2.99Å; T453-H455 VanDerWaalsContact C-N 3.29Å; T453-H455 PolarHBondContact O-N 3.26Å; H455-V457 PolarHBondContact O-N 3.11Å; H455-V458 PolarHBondContact O-N 3.11Å; H455-Q459 WeakPolarHBondContact O-CG 3.48Å; H455-Q459 PolarHBondContact O-N 2.84Å; H455-H493 AromaticContact CG-CE1 3.69Å; H455-H493 AromaticContact ND1-CE1 3.59Å
456	A	98.1	Very high	95.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.6	178.9	0	0	0	0	0	112	V417 E452 T453 Q459 A460	V417-A456 HydrophobicContact CB-CB 4.18Å; V417-A456 HydrophobicContact CG1-CB 3.75Å; E452-A456 WeakPolarHBondContact O-CB 3.42Å; E452-A456 PolarHBondContact O-N 3.34Å; T453-A456 PolarHBondContact O-N 3.45Å; T453-A456 VanDerWaalsContact O-N 3.1Å; A456-Q459 PolarHBondContact O-N 2.87Å; A456-A460 WeakPolarHBondContact O-CB 3.21Å; A456-A460 PolarHBondContact O-N 2.99Å
457	V	97.8	Very high	96.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-44.4	175.6	175.5	0	0	0	0	111.1	T453 H455 Q459 A460 S461 I467 L490 I502 V503	T453-V457 HydrophobicContact CG2-CG2 4.38Å; T453-V457 WeakPolarHBondContact O-CG2 3.42Å; T453-V457 PolarHBondContact O-N 3.37Å; H455-V457 PolarHBondContact O-N 3.11Å; V457-Q459 PolarHBondContact O-N 3.35Å; V457-A460 WeakPolarHBondContact O-CB 3.2Å; V457-A460 PolarHBondContact O-N 3.36Å; V457-S461 PolarHBondContact O-N 3.07Å; V457-I467 HydrophobicContact CG2-CD1 3.93Å; V457-L490 HydrophobicContact CB-CD2 3.86Å; V457-L490 HydrophobicContact CG1-CD2 3.46Å; V457-L490 VanDerWaalsContact CG1-CD2 3.46Å; V457-I502 HydrophobicContact CG1-CD1 4.06Å; V457-I502 HydrophobicContact CG1-CG1 3.95Å; V457-V503 HydrophobicContact CG1-CG2 3.63Å; V457-V503 HydrophobicContact CG2-CG2 4.38Å
458	V	97.5	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-41.5	176.9	168.6	0	0	0	0	111.6	R454 H455 S461 L490 E496 A498	R454-V458 VanDerWaalsContact O-CG2 3.28Å; R454-V458 WeakPolarHBondContact O-CG2 3.21Å; R454-V458 PolarHBondContact O-N 2.79Å; H455-V458 PolarHBondContact O-N 3.11Å; V458-S461 PolarHBondContact O-N 3.33Å; V458-S461 PolarHBondContact O-OG 3.49Å; V458-L490 HydrophobicContact CG2-CD2 4.23Å; V458-L490 HydrophobicContact CG2-CG 4.25Å; V458-E496 HydrophobicContact CG1-CB 4.38Å; V458-E496 HydrophobicContact CG1-CG 4.06Å; V458-A498 HydrophobicContact CG2-CB 4.24Å
459	Q	98	Very high	97.1	Very high	58 Å²	58	26.7 Å²	26.7	27%	0.271	12%	0.124	S	C	.	.	H	α-helix	trans	-68.5	-41.5	174.8	-62.6	-45.8	-46.9	0	0	112.2	H455 A456 V457 S461 K462 E496	H455-Q459 WeakPolarHBondContact O-CG 3.48Å; H455-Q459 PolarHBondContact O-N 2.84Å; A456-Q459 PolarHBondContact O-N 2.87Å; V457-Q459 PolarHBondContact O-N 3.35Å; Q459-S461 PolarHBondContact O-N 3.24Å; Q459-K462 PolarHBondContact O-N 3.03Å; Q459-E496 PolarHBondContact NE2-OE2 3.08Å
460	A	98.2	Very high	97.2	Very high	1 Å²	1	26 Å²	26	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-30.3	176.4	0	0	0	0	0	113	V417 A456 V457 K462 L463 M465 I502	V417-A460 HydrophobicContact CG1-CB 4.42Å; A456-A460 WeakPolarHBondContact O-CB 3.21Å; A456-A460 PolarHBondContact O-N 2.99Å; V457-A460 WeakPolarHBondContact O-CB 3.2Å; V457-A460 PolarHBondContact O-N 3.36Å; A460-K462 PolarHBondContact O-N 2.95Å; A460-L463 WeakPolarHBondContact O-CB 3.08Å; A460-L463 PolarHBondContact O-N 2.91Å; A460-M465 HydrophobicContact CB-CE 3.71Å; A460-M465 HydrophobicContact CB-CG 4.12Å; A460-M465 HydrophobicContact CB-SD 3.46Å; A460-M465 WeakPolarHBondContact CB-SD 3.28Å; A460-I502 HydrophobicContact CB-CD1 3.63Å
461	S	97.4	Very high	97.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	179.2	74.4	0	0	0	0	113.8	V457 V458 Q459 L463 A499 R500	V457-S461 PolarHBondContact O-N 3.07Å; V458-S461 PolarHBondContact O-N 3.33Å; V458-S461 PolarHBondContact O-OG 3.49Å; Q459-S461 PolarHBondContact O-N 3.24Å; S461-L463 VanDerWaalsContact C-N 3.34Å; S461-A499 PolarHBondContact OG-N 3.07Å; S461-R500 VanDerWaalsContact O-CG 3.31Å; S461-R500 WeakPolarHBondContact O-CG 3.48Å; S461-R500 PolarHBondContact O-NE 3.41Å
462	K	97	Very high	97.4	Very high	69 Å²	69	18.2 Å²	18.2	30%	0.3	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.5	178.9	-57.3	169.1	-172.2	168.4	0	113.7	Q459 A460 E496 A499	Q459-K462 PolarHBondContact O-N 3.03Å; A460-K462 PolarHBondContact O-N 2.95Å; K462-E496 VanDerWaalsContact CE-OE1 3.26Å; K462-E496 WeakPolarHBondContact CE-OE1 3.24Å; K462-E496 IonicContact NZ-OE1 3.96Å; K462-E496 PolarHBondContact NZ-OE1 2.83Å; K462-E496 IonicContact NZ-OE2 3.4Å; K462-A499 HydrophobicContact CG-CB 4.14Å
463	L	98.3	Very high	97.3	Very high	28 Å²	28	13.6 Å²	13.6	15%	0.147	6%	0.063	C	C	.	.	S	Bend	trans	-108.1	162.9	-171.4	-55.7	-177.1	0	0	0	111.2	A421 A424 A425 T428 A460 S461 M465 R500 Y534	A421-L463 HydrophobicContact CB-CD1 3.81Å; A421-L463 WeakPolarHBondContact O-CD1 3.47Å; A424-L463 HydrophobicContact CB-CB 4Å; A424-L463 HydrophobicContact CB-CD1 4.37Å; A425-L463 HydrophobicContact CB-CD1 4.16Å; A425-L463 HydrophobicContact CB-CD2 4.09Å; T428-L463 HydrophobicContact CG2-CD2 3.83Å; A460-L463 WeakPolarHBondContact O-CB 3.08Å; A460-L463 PolarHBondContact O-N 2.91Å; S461-L463 VanDerWaalsContact C-N 3.34Å; L463-M465 HydrophobicContact CB-CG 4.2Å; L463-M465 HydrophobicContact CB-SD 4.42Å; L463-M465 HydrophobicContact CD1-SD 4.41Å; L463-M465 PolarHBondContact O-N 3.46Å; L463-R500 PolarHBondContact O-NH2 3.14Å; L463-Y534 VanDerWaalsContact O-CD2 3.32Å; L463-Y534 WeakPolarHBondContact O-CD2 3.42Å; L463-Y534 WeakPolarHBondContact O-CE2 3.32Å
464	P	97.9	Very high	97	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.013	9%	0.093	C	C	.	.	S	Bend	trans	-75.5	65.4	176.7	30.5	-33.1	0	0	0	111	A424 A427 Y436 F437 Y534	A424-P464 HydrophobicContact CB-CG 4.2Å; A424-P464 VanDerWaalsContact O-CD 3.24Å; A424-P464 WeakPolarHBondContact O-CD 3.45Å; A424-P464 WeakPolarHBondContact O-CG 3.44Å; A427-P464 HydrophobicContact CB-CG 3.95Å; Y436-P464 HydrophobicContact CD2-CB 4.01Å; Y436-P464 HydrophobicContact CE2-CB 4.44Å; F437-P464 HydrophobicContact CD2-CG 4.4Å; F437-P464 WeakPolarHBondContact CD2-O 3.36Å; F437-P464 PolarHBondContact N-O 2.97Å; P464-Y534 HydrophobicContact CB-CD1 3.88Å; P464-Y534 HydrophobicContact CB-CE1 3.42Å; P464-Y534 VanDerWaalsContact CB-CE1 3.42Å; P464-Y534 HydrophobicContact CB-CE2 4.29Å; P464-Y534 WeakPolarHBondContact CD-OH 3.27Å; P464-Y534 HydrophobicContact CG-CE1 4.28Å
465	M	98.1	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.1	-179.8	68.3	-178.1	-83.2	0	0	114.5	V417 V420 A421 A424 Y436 F437 A460 L463 I467 R500	V417-M465 HydrophobicContact CG1-CE 4.42Å; V420-M465 HydrophobicContact CG1-CE 4.42Å; A421-M465 VanDerWaalsContact CA-SD 3.6Å; A421-M465 HydrophobicContact CB-CE 4.47Å; A421-M465 HydrophobicContact CB-SD 3.77Å; A424-M465 HydrophobicContact CB-CB 4.03Å; A424-M465 HydrophobicContact CB-CG 4.35Å; A424-M465 HydrophobicContact CB-SD 4.13Å; Y436-M465 PolarHBondContact OH-O 3.37Å; F437-M465 HydrophobicContact CB-CB 3.93Å; F437-M465 CarbonylContact O-C 3.57Å; F437-M465 WeakPolarHBondContact O-CA 3.37Å; A460-M465 HydrophobicContact CB-CE 3.71Å; A460-M465 HydrophobicContact CB-CG 4.12Å; A460-M465 HydrophobicContact CB-SD 3.46Å; A460-M465 WeakPolarHBondContact CB-SD 3.28Å; L463-M465 HydrophobicContact CB-CG 4.2Å; L463-M465 HydrophobicContact CB-SD 4.42Å; L463-M465 HydrophobicContact CD1-SD 4.41Å; L463-M465 PolarHBondContact O-N 3.46Å; M465-I467 HydrophobicContact CE-CD1 4.08Å; M465-I467 HydrophobicContact CE-CG1 3.91Å; M465-R500 PolarHBondContact O-NH2 3.32Å
466	S	98.2	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.7	168.4	-70.3	0	0	0	0	110.4	Y436 F437 L439 I502 Q530	Y436-S466 WeakPolarHBondContact CE1-OG 3.4Å; Y436-S466 PolarHBondContact OH-OG 2.68Å; F437-S466 PolarHBondContact O-N 3.14Å; L439-S466 PolarHBondContact N-O 2.78Å; S466-I502 CarbonylContact C-O 3.45Å; S466-I502 WeakPolarHBondContact CA-O 3.32Å; S466-Q530 PolarHBondContact OG-OE1 2.89Å
467	I	98.3	Very high	96	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.9	178.9	-56	169.2	0	0	0	107	V417 L439 I441 V457 M465 I469 I502 V503 Q504	V417-I467 HydrophobicContact CG1-CD1 3.87Å; V417-I467 HydrophobicContact CG2-CD1 4.08Å; L439-I467 CarbonylContact O-C 3.58Å; L439-I467 WeakPolarHBondContact O-CA 3.26Å; I441-I467 HydrophobicContact CD1-CG2 3.98Å; I441-I467 HydrophobicContact CG1-CG2 4.37Å; V457-I467 HydrophobicContact CG2-CD1 3.93Å; M465-I467 HydrophobicContact CE-CD1 4.08Å; M465-I467 HydrophobicContact CE-CG1 3.91Å; I467-I469 HydrophobicContact CG2-CD1 4.43Å; I467-I469 HydrophobicContact CG2-CG1 3.98Å; I467-I502 HydrophobicContact CD1-CD1 3.92Å; I467-I502 HydrophobicContact CD1-CG1 4.47Å; I467-I502 HydrophobicContact CG1-CD1 4.33Å; I467-I502 PolarHBondContact N-O 2.81Å; I467-V503 HydrophobicContact CB-CG2 4.37Å; I467-V503 CarbonylContact O-C 3.44Å; I467-V503 VanDerWaalsContact O-CA 3.25Å; I467-V503 WeakPolarHBondContact O-CA 3.44Å; I467-Q504 PolarHBondContact O-N 3.37Å
468	I	97.5	Very high	95.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.5	175	-65.3	176.1	0	0	0	106.8	V345 I438 L439 L440 I441 V470 Q504 V523 L524	V345-I468 HydrophobicContact CG1-CD1 4.42Å; I438-I468 HydrophobicContact CG2-CD1 3.85Å; I438-I468 HydrophobicContact CG2-CG1 4.4Å; L439-I468 PolarHBondContact O-N 3.13Å; L440-I468 CarbonylContact C-O 3.57Å; L440-I468 WeakPolarHBondContact CA-O 3.37Å; L440-I468 HydrophobicContact CD1-CB 4.15Å; L440-I468 HydrophobicContact CD1-CG2 3.67Å; I441-I468 PolarHBondContact N-O 2.93Å; I468-V470 HydrophobicContact CG2-CG2 4.39Å; I468-Q504 CarbonylContact C-O 3.54Å; I468-Q504 WeakPolarHBondContact CA-O 3.46Å; I468-V523 HydrophobicContact CD1-CG1 4.38Å; I468-V523 HydrophobicContact CG2-CG1 3.22Å; I468-L524 HydrophobicContact CD1-CD2 4Å
469	I	96.8	Very high	95.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.6	179.1	-53.3	177.3	0	0	0	108.6	F413 I441 T443 I467 M480 L483 V503 Q504 F505 V506	F413-I469 HydrophobicContact CE2-CD1 4.23Å; F413-I469 HydrophobicContact CE2-CG2 4.37Å; I441-I469 HydrophobicContact CB-CG1 4.41Å; I441-I469 CarbonylContact O-C 3.54Å; I441-I469 WeakPolarHBondContact O-CA 3.37Å; T443-I469 HydrophobicContact CG2-CG2 4.14Å; I467-I469 HydrophobicContact CG2-CD1 4.43Å; I467-I469 HydrophobicContact CG2-CG1 3.98Å; I469-M480 HydrophobicContact CG2-CG 4.01Å; I469-L483 HydrophobicContact CD1-CD1 4.18Å; I469-V503 HydrophobicContact CD1-CG1 3.78Å; I469-V503 HydrophobicContact CG1-CG1 4.24Å; I469-Q504 PolarHBondContact N-O 2.94Å; I469-F505 HydrophobicContact CB-CD2 4.04Å; I469-F505 HydrophobicContact CG2-CD2 3.9Å; I469-F505 HydrophobicContact CG2-CE2 4.39Å; I469-F505 WeakPolarHBondContact O-CA 3.06Å; I469-F505 WeakPolarHBondContact O-CD2 3.21Å; I469-V506 PolarHBondContact O-N 3.47Å
470	V	96.9	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.4	173.2	-179	0	0	0	0	109.2	A341 L440 I441 I442 T443 I468 V472 V506 F508 V523	A341-V470 HydrophobicContact CB-CB 4.26Å; A341-V470 HydrophobicContact CB-CG1 3.84Å; A341-V470 HydrophobicContact CB-CG2 4.47Å; L440-V470 HydrophobicContact CD1-CG2 3.81Å; I441-V470 PolarHBondContact O-N 3.15Å; I442-V470 WeakPolarHBondContact CA-O 3.24Å; T443-V470 PolarHBondContact N-O 3.15Å; I468-V470 HydrophobicContact CG2-CG2 4.39Å; V470-V472 HydrophobicContact CG1-CG1 4.47Å; V470-V506 WeakPolarHBondContact CA-O 3.43Å; V470-F508 HydrophobicContact CG1-CB 4.05Å; V470-F508 HydrophobicContact CG1-CD2 4.22Å; V470-V523 HydrophobicContact CG2-CG1 4.25Å; V470-V523 HydrophobicContact CG2-CG2 4.09Å
471	G	96.8	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.8	177.3	0	0	0	0	0	111.5	T443 V506 F508	T443-G471 CarbonylContact O-C 3.53Å; T443-G471 WeakPolarHBondContact O-CA 3.32Å; G471-V506 PolarHBondContact N-O 3.37Å; G471-F508 VanDerWaalsContact O-CB 3.3Å; G471-F508 WeakPolarHBondContact O-CB 3.32Å; G471-F508 PolarHBondContact O-N 3.26Å
472	V	96.1	Very high	94.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.			trans	-98.3	159.8	177.7	-62.2	0	0	0	0	111.8	L327 E337 Y338 I442 T443 D444 V470 F477 F508	L327-V472 HydrophobicContact CD1-CG2 4.3Å; E337-V472 HydrophobicContact CB-CB 3.9Å; E337-V472 HydrophobicContact CB-CG1 3.64Å; E337-V472 WeakPolarHBondContact OE2-CA 3.43Å; E337-V472 WeakPolarHBondContact OE2-CB 3.35Å; Y338-V472 HydrophobicContact CD2-CG2 4.12Å; Y338-V472 HydrophobicContact CE1-CG2 4.32Å; Y338-V472 HydrophobicContact CE2-CG2 3.52Å; I442-V472 HydrophobicContact CG2-CG1 3.71Å; I442-V472 HydrophobicContact CG2-CG2 4.41Å; T443-V472 VanDerWaalsContact O-CG2 3.28Å; T443-V472 WeakPolarHBondContact O-CG2 3.44Å; T443-V472 PolarHBondContact O-N 3.09Å; D444-V472 WeakPolarHBondContact CA-O 3.31Å; D444-V472 HydrophobicContact CB-CG2 4.13Å; V470-V472 HydrophobicContact CG1-CG1 4.47Å; V472-F477 WeakPolarHBondContact O-CZ 3.34Å; V472-F508 HydrophobicContact CG1-CB 4.18Å; V472-F508 HydrophobicContact CG1-CG 4.46Å
473	G	94.1	Very high	93.9	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-146.5	-178.6	0	0	0	0	0	113.3	E337 R512	E337-G473 PolarHBondContact OE2-N 3.38Å; G473-R512 PolarHBondContact O-NH2 2.71Å
474	N	91.3	Very high	93.4	Very high	119 Å²	119	28.3 Å²	28.3	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.7	18.9	-170.8	-61.9	-55.5	0	0	0	113.2	R512	N474-R512 PolarHBondContact OD1-NH1 2.91Å; N474-R512 PolarHBondContact OD1-NH2 2.82Å
475	A	90.1	Very high	92.5	Very high	34 Å²	34	28.6 Å²	28.6	28%	0.281	16%	0.162	S	C	.	.			trans	-67.5	175.3	179	0	0	0	0	0	112.9	D444 F477 R509	D444-A475 WeakPolarHBondContact O-CB 3.35Å; A475-F477 HydrophobicContact CB-CE1 4.35Å; A475-R509 PolarHBondContact O-NH1 3.25Å
476	D	88.7	Confident	91.6	Very high	117 Å²	117	33.9 Å²	33.9	63%	0.626	19%	0.19	S	C	*	.			trans	-77.3	126.1	167.9	-176.9	10.3	0	0	0	109.9	A478	D476-A478 WeakPolarHBondContact OD1-CB 3.4Å; D476-A478 PolarHBondContact OD1-N 3.01Å
477	F	91.6	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.			trans	-111.2	13	-177.1	-61.6	-55.1	0	0	0	113.4	V472 A475 A479 M480 E481 F505 P507	V472-F477 WeakPolarHBondContact O-CZ 3.34Å; A475-F477 HydrophobicContact CB-CE1 4.35Å; F477-A479 PolarHBondContact O-N 2.82Å; F477-M480 HydrophobicContact CD1-SD 4.24Å; F477-M480 WeakPolarHBondContact O-CA 3.43Å; F477-M480 PolarHBondContact O-N 2.92Å; F477-E481 PolarHBondContact O-N 2.84Å; F477-F505 HydrophobicContact CB-CE1 3.71Å; F477-F505 HydrophobicContact CB-CE2 4.32Å; F477-F505 HydrophobicContact CB-CZ 3.38Å; F477-F505 HydrophobicContact CD1-CE2 4.38Å; F477-F505 HydrophobicContact CD1-CZ 4.03Å; F477-F505 AromaticContact CD2-CZ 3.82Å; F477-F505 HydrophobicContact CD2-CZ 3.82Å; F477-F505 HydrophobicContact CG-CE1 4.28Å; F477-F505 HydrophobicContact CG-CE2 4.28Å; F477-F505 AromaticContact CG-CZ 3.5Å; F477-F505 HydrophobicContact CG-CZ 3.5Å; F477-F505 VanDerWaalsContact CG-CZ 3.5Å; F477-P507 HydrophobicContact CD2-CB 4.03Å; F477-P507 HydrophobicContact CE2-CB 4.17Å
478	A	90.6	Very high	89.6	Confident	47 Å²	47	49.3 Å²	49.3	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-53	-33.1	178.6	0	0	0	0	0	113.4	D476 F482	D476-A478 WeakPolarHBondContact OD1-CB 3.4Å; D476-A478 PolarHBondContact OD1-N 3.01Å; A478-F482 WeakPolarHBondContact O-CB 3.3Å; A478-F482 PolarHBondContact O-N 3.05Å
479	A	89.1	Confident	89.1	Confident	27 Å²	27	53 Å²	53	22%	0.223	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-39	174.1	0	0	0	0	0	113.2	M450 F477 L483	M450-A479 HydrophobicContact CE-CB 3.37Å; M450-A479 WeakPolarHBondContact CE-O 3.23Å; F477-A479 PolarHBondContact O-N 2.82Å; A479-L483 PolarHBondContact O-N 2.9Å
480	M	91.1	Very high	88.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-79.5	-41.3	-179.1	-66	67.2	-179.3	0	0	110.7	F413 T443 I447 I469 F477 F482 L483 D484 F505	F413-M480 HydrophobicContact CE2-CE 4.4Å; F413-M480 HydrophobicContact CZ-CE 4.21Å; T443-M480 HydrophobicContact CG2-CE 3.81Å; I447-M480 HydrophobicContact CD1-CE 4.05Å; I447-M480 HydrophobicContact CD1-SD 4.35Å; I447-M480 HydrophobicContact CG1-CE 3.52Å; I447-M480 HydrophobicContact CG1-SD 4.24Å; I469-M480 HydrophobicContact CG2-CG 4.01Å; F477-M480 HydrophobicContact CD1-SD 4.24Å; F477-M480 WeakPolarHBondContact O-CA 3.43Å; F477-M480 PolarHBondContact O-N 2.92Å; M480-F482 PolarHBondContact O-N 2.93Å; M480-L483 WeakPolarHBondContact O-CB 3.45Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-D484 PolarHBondContact O-N 3.15Å; M480-F505 HydrophobicContact CB-CB 4.33Å; M480-F505 HydrophobicContact CB-CD1 3.99Å; M480-F505 HydrophobicContact CB-CD2 3.38Å; M480-F505 HydrophobicContact CB-CE1 4.17Å; M480-F505 HydrophobicContact CB-CE2 3.58Å; M480-F505 HydrophobicContact CB-CG 3.6Å; M480-F505 HydrophobicContact CB-CZ 4Å; M480-F505 HydrophobicContact CG-CD2 4.01Å; M480-F505 HydrophobicContact CG-CE2 3.96Å
481	E	90.6	Very high	88.7	Confident	112 Å²	112	58.5 Å²	58.5	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-57.8	-33.4	171	-66.8	171.5	-173.6	0	0	111.7	F477 D484 F505	F477-E481 PolarHBondContact O-N 2.84Å; E481-D484 WeakPolarHBondContact O-CB 3.37Å; E481-F505 HydrophobicContact CG-CD1 3.85Å; E481-F505 HydrophobicContact CG-CE1 3.88Å
482	F	90.1	Very high	88.5	Confident	110 Å²	110	58.6 Å²	58.6	48%	0.482	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-33	173.5	178.2	-98.2	0	0	0	113.3	A478 M480 L490	A478-F482 WeakPolarHBondContact O-CB 3.3Å; A478-F482 PolarHBondContact O-N 3.05Å; M480-F482 PolarHBondContact O-N 2.93Å; F482-L490 HydrophobicContact CD1-CD1 4.2Å; F482-L490 HydrophobicContact CE1-CD1 3.72Å; F482-L490 HydrophobicContact CZ-CD1 4.22Å
483	L	90.7	Very high	88.2	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-75.4	-29.7	177.7	-72.3	177.9	0	0	0	112.8	I447 M450 T453 I469 A479 M480 G485 L490 V503	I447-L483 HydrophobicContact CD1-CD1 3.41Å; I447-L483 VanDerWaalsContact CD1-CD1 3.41Å; M450-L483 HydrophobicContact SD-CD2 4.16Å; M450-L483 HydrophobicContact SD-CG 4.4Å; T453-L483 HydrophobicContact CG2-CD1 3.91Å; T453-L483 HydrophobicContact CG2-CD2 4.45Å; I469-L483 HydrophobicContact CD1-CD1 4.18Å; A479-L483 PolarHBondContact O-N 2.9Å; M480-L483 WeakPolarHBondContact O-CB 3.45Å; M480-L483 PolarHBondContact O-N 2.86Å; L483-G485 PolarHBondContact O-N 2.86Å; L483-L490 HydrophobicContact CD2-CD1 4.25Å; L483-L490 HydrophobicContact CD2-CD2 4.13Å; L483-V503 HydrophobicContact CB-CG1 4.15Å; L483-V503 WeakPolarHBondContact O-CB 3.23Å
484	D	87.9	Confident	88.1	Confident	16 Å²	16	67.8 Å²	67.8	9%	0.086	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.8	-178	-154.1	29.8	0	0	0	114.3	M480 E481 D486 V503 Q504 F505	M480-D484 PolarHBondContact O-N 3.15Å; E481-D484 WeakPolarHBondContact O-CB 3.37Å; D484-D486 PolarHBondContact O-N 3.42Å; D484-V503 VanDerWaalsContact OD1-O 3.12Å; D484-Q504 VanDerWaalsContact OD1-C 3.29Å; D484-Q504 WeakPolarHBondContact OD1-CA 3.23Å; D484-F505 HydrophobicContact CB-CB 4.1Å; D484-F505 PolarHBondContact OD1-N 2.98Å
485	G	77.5	Confident	88.1	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	35%	0.345	C	S	.	.			trans	71.8	-18.2	167.6	0	0	0	0	0	116.5	L483 S487 R488 D501	L483-G485 PolarHBondContact O-N 2.86Å; G485-S487 VanDerWaalsContact C-N 3.25Å; G485-S487 PolarHBondContact O-N 3.29Å; G485-S487 VanDerWaalsContact O-N 3.08Å; G485-R488 CarbonylContact O-C 3.58Å; G485-R488 VanDerWaalsContact O-C 3.29Å; G485-R488 PolarHBondContact O-N 2.55Å; G485-D501 VanDerWaalsContact C-OD2 3.25Å; G485-D501 VanDerWaalsContact CA-OD2 3.3Å; G485-D501 WeakPolarHBondContact CA-OD2 3.44Å
486	D	78.9	Confident	88.4	Confident	110 Å²	110	65.9 Å²	65.9	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.1	-177.8	-101	-9.7	0	0	0	114.7	D484	D484-D486 PolarHBondContact O-N 3.42Å
487	S	73.2	Confident	88.8	Confident	119 Å²	119	65.1 Å²	65.1	83%	0.832	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-28.1	-177.7	-69	0	0	0	0	113.3	G485	G485-S487 VanDerWaalsContact C-N 3.25Å; G485-S487 PolarHBondContact O-N 3.29Å; G485-S487 VanDerWaalsContact O-N 3.08Å
488	R	81.3	Confident	89	Confident	207 Å²	207	65.6 Å²	65.6	78%	0.781	34%	0.344	S	S	*	.	S	Bend	trans	-159.4	139.3	-171.1	-63.6	-173.7	-177.2	-180	1.8	110.8	G485 L490	G485-R488 CarbonylContact O-C 3.58Å; G485-R488 VanDerWaalsContact O-C 3.29Å; G485-R488 PolarHBondContact O-N 2.55Å; R488-L490 PolarHBondContact O-N 2.73Å
489	M	88.2	Confident	89.2	Confident	79 Å²	79	65.8 Å²	65.8	39%	0.389	35%	0.346	S	S	.	.			trans	-61.1	123.1	174.3	-165.1	83.2	-62.7	0	0	112.2	E497 A498	M489-E497 HydrophobicContact CG-CB 4.4Å; M489-A498 HydrophobicContact SD-CB 4.49Å
490	L	92.4	Very high	89.5	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.037	34%	0.337	C	S	.	.			trans	-63.7	136	179.7	-166.3	69.7	0	0	0	110.4	R454 V457 V458 F482 L483 R488 A498	R454-L490 HydrophobicContact CG-CD1 3.96Å; R454-L490 HydrophobicContact CG-CD2 4.28Å; R454-L490 HydrophobicContact CG-CG 4.02Å; V457-L490 HydrophobicContact CB-CD2 3.86Å; V457-L490 HydrophobicContact CG1-CD2 3.46Å; V457-L490 VanDerWaalsContact CG1-CD2 3.46Å; V458-L490 HydrophobicContact CG2-CD2 4.23Å; V458-L490 HydrophobicContact CG2-CG 4.25Å; F482-L490 HydrophobicContact CD1-CD1 4.2Å; F482-L490 HydrophobicContact CE1-CD1 3.72Å; F482-L490 HydrophobicContact CZ-CD1 4.22Å; L483-L490 HydrophobicContact CD2-CD1 4.25Å; L483-L490 HydrophobicContact CD2-CD2 4.13Å; R488-L490 PolarHBondContact O-N 2.73Å; L490-A498 HydrophobicContact CB-CB 4.27Å; L490-A498 PolarHBondContact O-N 3.24Å
491	R	93.6	Very high	89.6	Confident	113 Å²	113	66.4 Å²	66.4	43%	0.426	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-122.4	143.9	176.9	-68.4	177.8	-175.7	-86.7	-6.6	110.4	R454 G495 E496 E497	R454-R491 WeakPolarHBondContact CD-O 3.45Å; R454-R491 WeakPolarHBondContact CG-O 3.42Å; R454-R491 PolarHBondContact NE-O 3.31Å; R454-R491 VanDerWaalsContact NE-O 3.11Å; R454-R491 PolarHBondContact NH1-O 2.82Å; R491-G495 PolarHBondContact NH1-O 2.74Å; R491-E496 CarbonylContact C-O 3.59Å; R491-E496 WeakPolarHBondContact CA-O 3.18Å; R491-E497 HydrophobicContact CG-CG 3.93Å; R491-E497 VanDerWaalsContact CZ-CD 3.49Å; R491-E497 VanDerWaalsContact CZ-CG 3.43Å; R491-E497 IonicContact CZ-OE1 3.83Å; R491-E497 VanDerWaalsContact NH1-CD 3.32Å; R491-E497 IonicContact NH1-OE1 3.42Å; R491-E497 PolarHBondContact NH1-OE1 2.95Å; R491-E497 IonicContact NH2-OE1 2.78Å; R491-E497 PolarHBondContact NH2-OE1 3.24Å; R491-E497 IonicContact NH2-OE2 2.72Å
492	S	92.3	Very high	89.9	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.32	C	S	.	.			trans	-76.8	175.2	173.7	78.7	0	0	0	0	111.5	R454 T494 G495 E496	R454-S492 PolarHBondContact NH1-O 3.39Å; S492-T494 PolarHBondContact O-N 3.44Å; S492-T494 PolarHBondContact OG-N 3.15Å; S492-T494 VanDerWaalsContact OG-N 3.16Å; S492-T494 PolarHBondContact OG-OG1 3.3Å; S492-G495 PolarHBondContact O-N 3.32Å; S492-G495 VanDerWaalsContact O-N 3.12Å; S492-E496 PolarHBondContact N-O 3.41Å; S492-E496 PolarHBondContact OG-N 3.21Å
493	H	89.2	Confident	90.2	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.477	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.9	172.8	64.8	-96.7	0	0	0	113.3	H455 G495	H455-H493 AromaticContact CG-CE1 3.69Å; H455-H493 AromaticContact ND1-CE1 3.59Å; H493-G495 VanDerWaalsContact C-N 3.3Å
494	T	91.7	Very high	90.5	Very high	92 Å²	92	56.6 Å²	56.6	56%	0.564	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.7	173.8	67.2	0	0	0	0	112.9	S492 E496	S492-T494 PolarHBondContact O-N 3.44Å; S492-T494 PolarHBondContact OG-N 3.15Å; S492-T494 VanDerWaalsContact OG-N 3.16Å; S492-T494 PolarHBondContact OG-OG1 3.3Å; T494-E496 VanDerWaalsContact C-N 3.35Å
495	G	92.4	Very high	90.8	Very high	42 Å²	42	56.3 Å²	56.3	43%	0.433	30%	0.298	S	S	.	.	S	Bend	trans	89.2	-5.3	-177.1	0	0	0	0	0	114.7	R491 S492 H493	R491-G495 PolarHBondContact NH1-O 2.74Å; S492-G495 PolarHBondContact O-N 3.32Å; S492-G495 VanDerWaalsContact O-N 3.12Å; H493-G495 VanDerWaalsContact C-N 3.3Å
496	E	95.9	Very high	91.6	Very high	71 Å²	71	56.2 Å²	56.2	33%	0.332	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-64	135.3	176.2	-176.5	175.6	-159.1	0	0	111.5	V458 Q459 K462 R491 S492 T494	V458-E496 HydrophobicContact CG1-CB 4.38Å; V458-E496 HydrophobicContact CG1-CG 4.06Å; Q459-E496 PolarHBondContact NE2-OE2 3.08Å; K462-E496 VanDerWaalsContact CE-OE1 3.26Å; K462-E496 WeakPolarHBondContact CE-OE1 3.24Å; K462-E496 IonicContact NZ-OE1 3.96Å; K462-E496 PolarHBondContact NZ-OE1 2.83Å; K462-E496 IonicContact NZ-OE2 3.4Å; R491-E496 CarbonylContact C-O 3.59Å; R491-E496 WeakPolarHBondContact CA-O 3.18Å; S492-E496 PolarHBondContact N-O 3.41Å; S492-E496 PolarHBondContact OG-N 3.21Å; T494-E496 VanDerWaalsContact C-N 3.35Å
497	E	95.9	Very high	92.4	Very high	100 Å²	100	51.6 Å²	51.6	47%	0.467	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-86.1	145.4	177.6	-67.5	171.5	-150.6	0	0	111.5	M489 R491	M489-E497 HydrophobicContact CG-CB 4.4Å; R491-E497 HydrophobicContact CG-CG 3.93Å; R491-E497 VanDerWaalsContact CZ-CD 3.49Å; R491-E497 VanDerWaalsContact CZ-CG 3.43Å; R491-E497 IonicContact CZ-OE1 3.83Å; R491-E497 VanDerWaalsContact NH1-CD 3.32Å; R491-E497 IonicContact NH1-OE1 3.42Å; R491-E497 PolarHBondContact NH1-OE1 2.95Å; R491-E497 IonicContact NH2-OE1 2.78Å; R491-E497 PolarHBondContact NH2-OE1 3.24Å; R491-E497 IonicContact NH2-OE2 2.72Å
498	A	95.7	Very high	93.4	Very high	10 Å²	10	46.8 Å²	46.8	8%	0.083	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59	139.8	167.1	0	0	0	0	0	110.3	V458 M489 L490 R500	V458-A498 HydrophobicContact CG2-CB 4.24Å; M489-A498 HydrophobicContact SD-CB 4.49Å; L490-A498 HydrophobicContact CB-CB 4.27Å; L490-A498 PolarHBondContact O-N 3.24Å; A498-R500 VanDerWaalsContact C-N 3.26Å; A498-R500 PolarHBondContact O-N 2.98Å
499	A	95.4	Very high	94	Very high	52 Å²	52	41.1 Å²	41.1	43%	0.43	22%	0.215	S	C	.	.	S	Bend	trans	-72.4	-22.5	179.9	0	0	0	0	0	112.9	S461 K462	S461-A499 PolarHBondContact OG-N 3.07Å; K462-A499 HydrophobicContact CG-CB 4.14Å
500	R	95	Very high	94.1	Very high	8 Å²	8	43.7 Å²	43.7	3%	0.03	23%	0.226	C	C	.	.	S	Bend	trans	-167.3	163.1	-179.9	56.5	-176.9	-172.7	94.3	2.3	108.7	Y436 S461 L463 M465 A498 I502 Q530 Q533	Y436-R500 PolarHBondContact OH-NH1 3.49Å; Y436-R500 PolarHBondContact OH-NH2 2.95Å; S461-R500 VanDerWaalsContact O-CG 3.31Å; S461-R500 WeakPolarHBondContact O-CG 3.48Å; S461-R500 PolarHBondContact O-NE 3.41Å; L463-R500 PolarHBondContact O-NH2 3.14Å; M465-R500 PolarHBondContact O-NH2 3.32Å; A498-R500 VanDerWaalsContact C-N 3.26Å; A498-R500 PolarHBondContact O-N 2.98Å; R500-I502 HydrophobicContact CG-CG2 3.87Å; R500-I502 VanDerWaalsContact NH1-CG2 3.3Å; R500-Q530 PolarHBondContact NH1-O 3.22Å; R500-Q533 HydrophobicContact CB-CG 4.48Å
501	D	94.8	Very high	94.1	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	23%	0.23	C	C	.	.			trans	-71.9	138.3	167.6	-145.3	-29.2	0	0	0	111.2	G485 V503	G485-D501 VanDerWaalsContact C-OD2 3.25Å; G485-D501 VanDerWaalsContact CA-OD2 3.3Å; G485-D501 WeakPolarHBondContact CA-OD2 3.44Å; D501-V503 PolarHBondContact OD1-N 3.2Å
502	I	96.5	Very high	93.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.227	C	C	.	.			trans	-139.5	-4.6	-179.3	71.8	166.4	0	0	0	113	V457 A460 S466 I467 R500	V457-I502 HydrophobicContact CG1-CD1 4.06Å; V457-I502 HydrophobicContact CG1-CG1 3.95Å; A460-I502 HydrophobicContact CB-CD1 3.63Å; S466-I502 CarbonylContact C-O 3.45Å; S466-I502 WeakPolarHBondContact CA-O 3.32Å; I467-I502 HydrophobicContact CD1-CD1 3.92Å; I467-I502 HydrophobicContact CD1-CG1 4.47Å; I467-I502 HydrophobicContact CG1-CD1 4.33Å; I467-I502 PolarHBondContact N-O 2.81Å; R500-I502 HydrophobicContact CG-CG2 3.87Å; R500-I502 VanDerWaalsContact NH1-CG2 3.3Å
503	V	96.4	Very high	93.2	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.3	-176.5	-178.5	0	0	0	0	107.5	V457 I467 I469 L483 D484 D501	V457-V503 HydrophobicContact CG1-CG2 3.63Å; V457-V503 HydrophobicContact CG2-CG2 4.38Å; I467-V503 HydrophobicContact CB-CG2 4.37Å; I467-V503 CarbonylContact O-C 3.44Å; I467-V503 VanDerWaalsContact O-CA 3.25Å; I467-V503 WeakPolarHBondContact O-CA 3.44Å; I469-V503 HydrophobicContact CD1-CG1 3.78Å; I469-V503 HydrophobicContact CG1-CG1 4.24Å; L483-V503 HydrophobicContact CB-CG1 4.15Å; L483-V503 WeakPolarHBondContact O-CB 3.23Å; D484-V503 VanDerWaalsContact OD1-O 3.12Å; D501-V503 PolarHBondContact OD1-N 3.2Å
504	Q	95.4	Very high	92.9	Very high	17 Å²	17	49 Å²	49	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.9	163	176.7	74.5	71.5	0	0	107.7	I467 I468 I469 D484 V506 E526	I467-Q504 PolarHBondContact O-N 3.37Å; I468-Q504 CarbonylContact C-O 3.54Å; I468-Q504 WeakPolarHBondContact CA-O 3.46Å; I469-Q504 PolarHBondContact N-O 2.94Å; D484-Q504 VanDerWaalsContact OD1-C 3.29Å; D484-Q504 WeakPolarHBondContact OD1-CA 3.23Å; Q504-V506 HydrophobicContact CG-CG2 4.11Å; Q504-E526 PolarHBondContact OE1-OE1 3.4Å; Q504-E526 VanDerWaalsContact OE1-OE1 3.13Å
505	F	94.9	Very high	92.2	Very high	10 Å²	10	47.3 Å²	47.3	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.2	171.5	174.6	-115	0	0	0	111.6	I469 F477 M480 E481 D484 P507	I469-F505 HydrophobicContact CB-CD2 4.04Å; I469-F505 HydrophobicContact CG2-CD2 3.9Å; I469-F505 HydrophobicContact CG2-CE2 4.39Å; I469-F505 WeakPolarHBondContact O-CA 3.06Å; I469-F505 WeakPolarHBondContact O-CD2 3.21Å; F477-F505 HydrophobicContact CB-CE1 3.71Å; F477-F505 HydrophobicContact CB-CE2 4.32Å; F477-F505 HydrophobicContact CB-CZ 3.38Å; F477-F505 HydrophobicContact CD1-CE2 4.38Å; F477-F505 HydrophobicContact CD1-CZ 4.03Å; F477-F505 AromaticContact CD2-CZ 3.82Å; F477-F505 HydrophobicContact CD2-CZ 3.82Å; F477-F505 HydrophobicContact CG-CE1 4.28Å; F477-F505 HydrophobicContact CG-CE2 4.28Å; F477-F505 AromaticContact CG-CZ 3.5Å; F477-F505 HydrophobicContact CG-CZ 3.5Å; F477-F505 VanDerWaalsContact CG-CZ 3.5Å; M480-F505 HydrophobicContact CB-CB 4.33Å; M480-F505 HydrophobicContact CB-CD1 3.99Å; M480-F505 HydrophobicContact CB-CD2 3.38Å; M480-F505 HydrophobicContact CB-CE1 4.17Å; M480-F505 HydrophobicContact CB-CE2 3.58Å; M480-F505 HydrophobicContact CB-CG 3.6Å; M480-F505 HydrophobicContact CB-CZ 4Å; M480-F505 HydrophobicContact CG-CD2 4.01Å; M480-F505 HydrophobicContact CG-CE2 3.96Å; E481-F505 HydrophobicContact CG-CD1 3.85Å; E481-F505 HydrophobicContact CG-CE1 3.88Å; D484-F505 HydrophobicContact CB-CB 4.1Å; D484-F505 PolarHBondContact OD1-N 2.98Å; F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 HydrophobicContact CE1-CG 4.29Å; F505-P507 HydrophobicContact CZ-CB 3.94Å; F505-P507 HydrophobicContact CZ-CG 4.47Å
506	V	94.6	Very high	91.4	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	120.7	173.3	-177.2	0	0	0	0	111	I469 V470 G471 Q504 F508 F511 L519 A522 V523	I469-V506 PolarHBondContact O-N 3.47Å; V470-V506 WeakPolarHBondContact CA-O 3.43Å; G471-V506 PolarHBondContact N-O 3.37Å; Q504-V506 HydrophobicContact CG-CG2 4.11Å; V506-F508 PolarHBondContact O-N 2.92Å; V506-F511 HydrophobicContact CG1-CD2 4.1Å; V506-F511 HydrophobicContact CG1-CE2 3.32Å; V506-F511 HydrophobicContact CG1-CZ 3.93Å; V506-L519 HydrophobicContact CG1-CD1 3.99Å; V506-A522 HydrophobicContact CG1-CB 4.2Å; V506-A522 HydrophobicContact CG2-CB 4.33Å; V506-V523 HydrophobicContact CB-CG2 3.76Å; V506-V523 HydrophobicContact CG1-CG2 3.92Å; V506-V523 HydrophobicContact CG2-CB 4.31Å; V506-V523 HydrophobicContact CG2-CG2 3.72Å
507	P	95.1	Very high	90.5	Very high	12 Å²	12	55.5 Å²	55.5	8%	0.078	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.5	173.2	31.6	-34	0	0	0	110.9	F477 F505 R509 E510	F477-P507 HydrophobicContact CD2-CB 4.03Å; F477-P507 HydrophobicContact CE2-CB 4.17Å; F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 HydrophobicContact CE1-CG 4.29Å; F505-P507 HydrophobicContact CZ-CB 3.94Å; F505-P507 HydrophobicContact CZ-CG 4.47Å; P507-R509 HydrophobicContact CB-CG 4.22Å; P507-R509 PolarHBondContact O-N 3.21Å; P507-R509 VanDerWaalsContact O-N 3.08Å; P507-E510 VanDerWaalsContact CG-CD 3.48Å; P507-E510 HydrophobicContact CG-CG 3.96Å; P507-E510 VanDerWaalsContact CG-OE1 3.23Å; P507-E510 WeakPolarHBondContact CG-OE1 3.26Å; P507-E510 PolarHBondContact O-N 3.13Å
508	F	94.6	Very high	90.1	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.079	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-56.5	-30.7	-178.1	-171.5	-84.9	0	0	0	113.1	E337 V470 G471 V472 V506 E510 F511 R512 L519	E337-F508 HydrophobicContact CB-CD1 3.94Å; E337-F508 HydrophobicContact CB-CE1 3.95Å; E337-F508 HydrophobicContact CB-CG 4.33Å; E337-F508 HydrophobicContact CB-CZ 4.33Å; E337-F508 VanDerWaalsContact CD-CD1 3.48Å; E337-F508 HydrophobicContact CG-CD1 3.72Å; E337-F508 HydrophobicContact CG-CE1 3.6Å; E337-F508 HydrophobicContact CG-CZ 4.35Å; V470-F508 HydrophobicContact CG1-CB 4.05Å; V470-F508 HydrophobicContact CG1-CD2 4.22Å; G471-F508 VanDerWaalsContact O-CB 3.3Å; G471-F508 WeakPolarHBondContact O-CB 3.32Å; G471-F508 PolarHBondContact O-N 3.26Å; V472-F508 HydrophobicContact CG1-CB 4.18Å; V472-F508 HydrophobicContact CG1-CG 4.46Å; V506-F508 PolarHBondContact O-N 2.92Å; F508-E510 PolarHBondContact O-N 2.8Å; F508-F511 PolarHBondContact O-N 2.76Å; F508-R512 HydrophobicContact CD1-CG 4.22Å; F508-R512 HydrophobicContact CE1-CG 4.16Å; F508-R512 PolarHBondContact O-N 3.11Å; F508-L519 HydrophobicContact CD2-CD1 4.36Å; F508-L519 HydrophobicContact CD2-CD2 3.57Å; F508-L519 HydrophobicContact CE2-CD2 3.38Å; F508-L519 HydrophobicContact CZ-CD2 4.47Å
509	R	93.1	Very high	89.7	Confident	89 Å²	89	53.8 Å²	53.8	34%	0.336	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-55.1	-26.9	-179.6	65.8	-178.6	174.1	-147.3	-3.7	113.9	A475 P507 F511	A475-R509 PolarHBondContact O-NH1 3.25Å; P507-R509 HydrophobicContact CB-CG 4.22Å; P507-R509 PolarHBondContact O-N 3.21Å; P507-R509 VanDerWaalsContact O-N 3.08Å; R509-F511 PolarHBondContact O-N 2.95Å
510	E	91.7	Very high	89.4	Confident	132 Å²	132	51.5 Å²	51.5	62%	0.617	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-72.3	-16.4	177.9	-65.1	-178.3	-170.9	0	0	112.8	P507 F508	P507-E510 VanDerWaalsContact CG-CD 3.48Å; P507-E510 HydrophobicContact CG-CG 3.96Å; P507-E510 VanDerWaalsContact CG-OE1 3.23Å; P507-E510 WeakPolarHBondContact CG-OE1 3.26Å; P507-E510 PolarHBondContact O-N 3.13Å; F508-E510 PolarHBondContact O-N 2.8Å
511	F	91.8	Very high	89.2	Confident	29 Å²	29	55 Å²	55	13%	0.127	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-115.4	1.5	-172.7	-54.6	-88.9	0	0	0	113.9	V506 F508 R509 N513 A514 T518 L519 A522	V506-F511 HydrophobicContact CG1-CD2 4.1Å; V506-F511 HydrophobicContact CG1-CE2 3.32Å; V506-F511 HydrophobicContact CG1-CZ 3.93Å; F508-F511 PolarHBondContact O-N 2.76Å; R509-F511 PolarHBondContact O-N 2.95Å; F511-N513 PolarHBondContact O-N 2.87Å; F511-A514 HydrophobicContact CB-CB 4.19Å; F511-A514 HydrophobicContact CD1-CB 4.25Å; F511-A514 PolarHBondContact O-N 2.88Å; F511-T518 HydrophobicContact CD1-CG2 3.96Å; F511-T518 HydrophobicContact CE1-CG2 3.91Å; F511-L519 HydrophobicContact CB-CB 4.06Å; F511-L519 HydrophobicContact CB-CD1 4.27Å; F511-L519 HydrophobicContact CD1-CB 4.14Å; F511-L519 HydrophobicContact CD2-CD1 3.64Å; F511-L519 HydrophobicContact CE2-CD1 4.14Å; F511-L519 HydrophobicContact CG-CB 4.01Å; F511-L519 HydrophobicContact CG-CD1 3.88Å; F511-A522 HydrophobicContact CE1-CB 3.86Å; F511-A522 HydrophobicContact CE2-CB 4.37Å; F511-A522 HydrophobicContact CZ-CB 3.47Å; F511-A522 VanDerWaalsContact CZ-CB 3.47Å
512	R	84.9	Confident	89	Confident	98 Å²	98	55 Å²	55	37%	0.37	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.1	179.9	-77	178.9	175.8	141.4	10.9	114	E337 G473 N474 F508	E337-R512 IonicContact OE1-CZ 2.64Å; E337-R512 IonicContact OE1-NE 2.93Å; E337-R512 PolarHBondContact OE1-NE 3.17Å; E337-R512 IonicContact OE1-NH2 2.85Å; E337-R512 PolarHBondContact OE1-NH2 2.85Å; E337-R512 IonicContact OE2-NH2 3.18Å; G473-R512 PolarHBondContact O-NH2 2.71Å; N474-R512 PolarHBondContact OD1-NH1 2.91Å; N474-R512 PolarHBondContact OD1-NH2 2.82Å; F508-R512 HydrophobicContact CD1-CG 4.22Å; F508-R512 HydrophobicContact CE1-CG 4.16Å; F508-R512 PolarHBondContact O-N 3.11Å
513	N	82.7	Confident	88.6	Confident	169 Å²	169	55 Å²	55	90%	0.904	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	9	180	-59.8	-43.9	0	0	0	112.9	F511	F511-N513 PolarHBondContact O-N 2.87Å
514	A	81.9	Confident	88.4	Confident	41 Å²	41	55 Å²	55	34%	0.339	28%	0.278	S	S	.	.	S	Bend	trans	-90.7	165.8	178.9	0	0	0	0	0	111	F511 T518	F511-A514 HydrophobicContact CB-CB 4.19Å; F511-A514 HydrophobicContact CD1-CB 4.25Å; F511-A514 PolarHBondContact O-N 2.88Å; A514-T518 HydrophobicContact CB-CG2 4.36Å
515	A	78.6	Confident	88	Confident	56 Å²	56	55 Å²	55	46%	0.463	28%	0.281	S	S	.	.			trans	-63.5	145.6	167.9	0	0	0	0	0	109.1	E517 T518	A515-E517 VanDerWaalsContact CB-OE2 3.27Å; A515-E517 WeakPolarHBondContact CB-OE2 3.3Å; A515-E517 PolarHBondContact O-N 2.8Å; A515-T518 VanDerWaalsContact O-CB 3.27Å; A515-T518 WeakPolarHBondContact O-CB 3.45Å; A515-T518 PolarHBondContact O-N 2.77Å; A515-T518 PolarHBondContact O-OG1 2.87Å
516	K	73.7	Confident	87.8	Confident	173 Å²	173	56 Å²	56	75%	0.752	29%	0.286	S	S	*	.	H	α-helix	trans	-59.2	-33.8	-175.7	-71.5	-176	178.3	-178.4	0	111.8	T518 L519 A520	K516-T518 PolarHBondContact O-N 2.85Å; K516-L519 PolarHBondContact O-N 2.82Å; K516-A520 PolarHBondContact O-N 3.43Å
517	E	78.4	Confident	87.8	Confident	113 Å²	113	56 Å²	56	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-37.5	177.5	-58.5	71.6	-154.8	0	0	110.2	A515 L519 A520 K521	A515-E517 VanDerWaalsContact CB-OE2 3.27Å; A515-E517 WeakPolarHBondContact CB-OE2 3.3Å; A515-E517 PolarHBondContact O-N 2.8Å; E517-L519 VanDerWaalsContact C-N 3.33Å; E517-L519 PolarHBondContact O-N 3.33Å; E517-A520 WeakPolarHBondContact O-CB 3.41Å; E517-A520 PolarHBondContact O-N 2.9Å; E517-A520 VanDerWaalsContact O-N 3.14Å; E517-K521 VanDerWaalsContact O-CG 3.25Å; E517-K521 WeakPolarHBondContact O-CG 3.38Å; E517-K521 PolarHBondContact O-N 3.48Å
518	T	86.7	Confident	87.8	Confident	64 Å²	64	56.2 Å²	56.2	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-38.9	-178.5	-44.4	0	0	0	0	112.5	F511 A514 A515 K516 K521 A522	F511-T518 HydrophobicContact CD1-CG2 3.96Å; F511-T518 HydrophobicContact CE1-CG2 3.91Å; A514-T518 HydrophobicContact CB-CG2 4.36Å; A515-T518 VanDerWaalsContact O-CB 3.27Å; A515-T518 WeakPolarHBondContact O-CB 3.45Å; A515-T518 PolarHBondContact O-N 2.77Å; A515-T518 PolarHBondContact O-OG1 2.87Å; K516-T518 PolarHBondContact O-N 2.85Å; T518-K521 PolarHBondContact O-N 2.83Å; T518-A522 PolarHBondContact O-N 2.78Å
519	L	88.5	Confident	87.7	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-47.8	174.3	175.6	64.5	0	0	0	110.6	A344 V506 F508 F511 K516 E517 K521 A522 V523	A344-L519 HydrophobicContact CB-CD2 3.75Å; A344-L519 HydrophobicContact CB-CG 4.15Å; V506-L519 HydrophobicContact CG1-CD1 3.99Å; F508-L519 HydrophobicContact CD2-CD1 4.36Å; F508-L519 HydrophobicContact CD2-CD2 3.57Å; F508-L519 HydrophobicContact CE2-CD2 3.38Å; F508-L519 HydrophobicContact CZ-CD2 4.47Å; F511-L519 HydrophobicContact CB-CB 4.06Å; F511-L519 HydrophobicContact CB-CD1 4.27Å; F511-L519 HydrophobicContact CD1-CB 4.14Å; F511-L519 HydrophobicContact CD2-CD1 3.64Å; F511-L519 HydrophobicContact CE2-CD1 4.14Å; F511-L519 HydrophobicContact CG-CB 4.01Å; F511-L519 HydrophobicContact CG-CD1 3.88Å; K516-L519 PolarHBondContact O-N 2.82Å; E517-L519 VanDerWaalsContact C-N 3.33Å; E517-L519 PolarHBondContact O-N 3.33Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 2.86Å; L519-A522 PolarHBondContact O-N 3.39Å; L519-V523 HydrophobicContact CD1-CG2 3.64Å; L519-V523 HydrophobicContact CG-CG2 4.06Å; L519-V523 WeakPolarHBondContact O-CB 3.34Å; L519-V523 WeakPolarHBondContact O-CG2 3.46Å; L519-V523 PolarHBondContact O-N 2.96Å
520	A	88.9	Confident	87.9	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-42	179	0	0	0	0	0	112.2	I348 K516 E517 A522 V523 L524	I348-A520 HydrophobicContact CD1-CB 3.48Å; I348-A520 VanDerWaalsContact CD1-CB 3.48Å; K516-A520 PolarHBondContact O-N 3.43Å; E517-A520 WeakPolarHBondContact O-CB 3.41Å; E517-A520 PolarHBondContact O-N 2.9Å; E517-A520 VanDerWaalsContact O-N 3.14Å; A520-A522 PolarHBondContact O-N 3.14Å; A520-V523 PolarHBondContact O-N 2.68Å; A520-L524 VanDerWaalsContact O-CB 3.27Å; A520-L524 WeakPolarHBondContact O-CB 3.21Å; A520-L524 WeakPolarHBondContact O-CG 2.99Å; A520-L524 PolarHBondContact O-N 2.99Å
521	K	89.6	Confident	88.1	Confident	83 Å²	83	51.6 Å²	51.6	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-44.6	175.7	-60.4	-155.1	176.5	-176.2	0	112.9	E86 E87 E517 T518 L519 A525	E86-K521 HydrophobicContact CB-CG 4.35Å; E86-K521 HydrophobicContact CG-CB 4.05Å; E86-K521 HydrophobicContact CG-CD 4.01Å; E86-K521 HydrophobicContact CG-CG 3.57Å; E87-K521 WeakPolarHBondContact OE1-CE 3.49Å; E87-K521 IonicContact OE1-NZ 3.54Å; E87-K521 PolarHBondContact OE1-NZ 3.28Å; E517-K521 VanDerWaalsContact O-CG 3.25Å; E517-K521 WeakPolarHBondContact O-CG 3.38Å; E517-K521 PolarHBondContact O-N 3.48Å; T518-K521 PolarHBondContact O-N 2.83Å; L519-K521 VanDerWaalsContact C-N 3.3Å; L519-K521 PolarHBondContact O-N 2.86Å; K521-A525 WeakPolarHBondContact O-CB 3.27Å; K521-A525 PolarHBondContact O-N 3.4Å
522	A	90.2	Very high	88.2	Confident	29 Å²	29	51.2 Å²	51.2	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-43.1	178.5	0	0	0	0	0	111.5	V506 F511 T518 L519 A520 A525	V506-A522 HydrophobicContact CG1-CB 4.2Å; V506-A522 HydrophobicContact CG2-CB 4.33Å; F511-A522 HydrophobicContact CE1-CB 3.86Å; F511-A522 HydrophobicContact CE2-CB 4.37Å; F511-A522 HydrophobicContact CZ-CB 3.47Å; F511-A522 VanDerWaalsContact CZ-CB 3.47Å; T518-A522 PolarHBondContact O-N 2.78Å; L519-A522 PolarHBondContact O-N 3.39Å; A520-A522 PolarHBondContact O-N 3.14Å; A522-A525 VanDerWaalsContact O-CB 3.32Å; A522-A525 WeakPolarHBondContact O-CB 3.28Å
523	V	88.7	Confident	88.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-72.8	-33.1	-174.5	176.6	0	0	0	0	113.1	V345 I468 V470 V506 L519 A520	V345-V523 HydrophobicContact CG2-CB 4.25Å; V345-V523 HydrophobicContact CG2-CG1 3.42Å; V345-V523 VanDerWaalsContact CG2-CG1 3.42Å; I468-V523 HydrophobicContact CD1-CG1 4.38Å; I468-V523 HydrophobicContact CG2-CG1 3.22Å; V470-V523 HydrophobicContact CG2-CG1 4.25Å; V470-V523 HydrophobicContact CG2-CG2 4.09Å; V506-V523 HydrophobicContact CB-CG2 3.76Å; V506-V523 HydrophobicContact CG1-CG2 3.92Å; V506-V523 HydrophobicContact CG2-CB 4.31Å; V506-V523 HydrophobicContact CG2-CG2 3.72Å; L519-V523 HydrophobicContact CD1-CG2 3.64Å; L519-V523 HydrophobicContact CG-CG2 4.06Å; L519-V523 WeakPolarHBondContact O-CB 3.34Å; L519-V523 WeakPolarHBondContact O-CG2 3.46Å; L519-V523 PolarHBondContact O-N 2.96Å; A520-V523 PolarHBondContact O-N 2.68Å
524	L	91.7	Very high	89.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	1	-177.2	-65.6	177.5	0	0	0	113.6	F85 E86 V345 I348 I349 I468 A520 E526 L527 P528	F85-L524 HydrophobicContact CD1-CB 4.32Å; F85-L524 HydrophobicContact CE1-CB 3.95Å; F85-L524 HydrophobicContact CE1-CD1 4.42Å; F85-L524 HydrophobicContact CE1-CD2 4.26Å; F85-L524 HydrophobicContact CE1-CG 4.46Å; E86-L524 HydrophobicContact CB-CB 4.24Å; V345-L524 HydrophobicContact CG1-CD2 4.11Å; I348-L524 HydrophobicContact CB-CD1 3.78Å; I348-L524 HydrophobicContact CD1-CD1 3.49Å; I348-L524 VanDerWaalsContact CD1-CD1 3.49Å; I348-L524 HydrophobicContact CG1-CD1 4.25Å; I348-L524 HydrophobicContact CG2-CD1 3.58Å; I349-L524 HydrophobicContact CD1-CD2 3.73Å; I349-L524 HydrophobicContact CG1-CD2 4.06Å; I468-L524 HydrophobicContact CD1-CD2 4Å; A520-L524 VanDerWaalsContact O-CB 3.27Å; A520-L524 WeakPolarHBondContact O-CB 3.21Å; A520-L524 WeakPolarHBondContact O-CG 2.99Å; A520-L524 PolarHBondContact O-N 2.99Å; L524-E526 PolarHBondContact O-N 2.99Å; L524-L527 HydrophobicContact CD2-CD2 4.1Å; L524-L527 PolarHBondContact O-N 3.37Å; L524-P528 WeakPolarHBondContact O-CD 3.35Å
525	A	87.6	Confident	90	Very high	17 Å²	17	40.6 Å²	40.6	14%	0.14	21%	0.212	C	C	.	.	S	Bend	trans	-45.4	-66.3	-176.7	0	0	0	0	0	111.7	Y21 K521 A522 L527 P528	Y21-A525 WeakPolarHBondContact CE1-O 3.44Å; Y21-A525 HydrophobicContact CE2-CB 4.39Å; Y21-A525 WeakPolarHBondContact OH-CA 3.49Å; Y21-A525 WeakPolarHBondContact OH-CB 3.47Å; Y21-A525 PolarHBondContact OH-O 2.65Å; K521-A525 WeakPolarHBondContact O-CB 3.27Å; K521-A525 PolarHBondContact O-N 3.4Å; A522-A525 VanDerWaalsContact O-CB 3.32Å; A522-A525 WeakPolarHBondContact O-CB 3.28Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 3.15Å; A525-P528 WeakPolarHBondContact O-CD 3.24Å
526	E	90.9	Very high	90.7	Very high	33 Å²	33	41.5 Å²	41.5	15%	0.154	21%	0.205	C	C	.	.	S	Bend	trans	-79.3	-14.4	-169.3	-70.2	177.8	-158.8	0	0	114.9	Q504 L524 Q529 Q530	Q504-E526 PolarHBondContact OE1-OE1 3.4Å; Q504-E526 VanDerWaalsContact OE1-OE1 3.13Å; L524-E526 PolarHBondContact O-N 2.99Å; E526-Q529 WeakPolarHBondContact O-CB 3.33Å; E526-Q529 PolarHBondContact O-N 2.78Å; E526-Q530 HydrophobicContact CB-CG 4.24Å; E526-Q530 WeakPolarHBondContact O-CG 3.41Å; E526-Q530 PolarHBondContact O-N 2.9Å; E526-Q530 PolarHBondContact OE2-NE2 2.84Å
527	L	94.6	Very high	91.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-46.3	-168.8	177.6	63.6	0	0	0	113.2	F85 I349 Y436 I438 L524 A525 Q529 Q530 V531	F85-L527 HydrophobicContact CE1-CB 4.18Å; F85-L527 HydrophobicContact CE1-CD2 3.8Å; F85-L527 HydrophobicContact CE1-CG 4.23Å; F85-L527 HydrophobicContact CZ-CD2 3.61Å; F85-L527 HydrophobicContact CZ-CG 4.29Å; I349-L527 HydrophobicContact CD1-CD2 3.7Å; Y436-L527 HydrophobicContact CE1-CD1 4.17Å; I438-L527 HydrophobicContact CD1-CD1 4.19Å; I438-L527 HydrophobicContact CD1-CD2 3.47Å; I438-L527 VanDerWaalsContact CD1-CD2 3.47Å; I438-L527 HydrophobicContact CD1-CG 4.41Å; I438-L527 HydrophobicContact CG1-CD1 4.04Å; I438-L527 HydrophobicContact CG1-CD2 4.16Å; L524-L527 HydrophobicContact CD2-CD2 4.1Å; L524-L527 PolarHBondContact O-N 3.37Å; A525-L527 VanDerWaalsContact C-N 3.31Å; A525-L527 PolarHBondContact O-N 3.15Å; L527-Q529 VanDerWaalsContact C-N 3.28Å; L527-Q529 PolarHBondContact O-N 3.16Å; L527-Q530 PolarHBondContact O-N 3.14Å; L527-V531 HydrophobicContact CD1-CG2 4.15Å; L527-V531 VanDerWaalsContact O-CG2 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.35Å; L527-V531 PolarHBondContact O-N 3.01Å
528	P	94.9	Very high	92.3	Very high	17 Å²	17	37.8 Å²	37.8	11%	0.11	19%	0.189	C	C	.	.	H	α-helix	trans	-54.6	-41.6	174.4	-29.2	37.9	0	0	0	113.6	F85 F296 L524 A525 V532	F85-P528 HydrophobicContact CB-CG 4.19Å; F85-P528 HydrophobicContact CD1-CG 3.41Å; F85-P528 VanDerWaalsContact CD1-CG 3.41Å; F85-P528 HydrophobicContact CE1-CG 3.95Å; F85-P528 HydrophobicContact CG-CG 3.89Å; F296-P528 HydrophobicContact CB-CB 3.93Å; F296-P528 HydrophobicContact CD1-CB 4.09Å; F296-P528 HydrophobicContact CD1-CG 4.39Å; F296-P528 HydrophobicContact CD2-CB 3.91Å; F296-P528 HydrophobicContact CE2-CB 4.45Å; F296-P528 HydrophobicContact CG-CB 3.7Å; F296-P528 HydrophobicContact CG-CG 4.42Å; L524-P528 WeakPolarHBondContact O-CD 3.35Å; A525-P528 WeakPolarHBondContact O-CD 3.24Å; P528-V532 VanDerWaalsContact O-CG2 3.27Å; P528-V532 WeakPolarHBondContact O-CG2 3.32Å; P528-V532 PolarHBondContact O-N 2.96Å; P528-V532 VanDerWaalsContact O-N 3.08Å
529	Q	93.4	Very high	92.5	Very high	136 Å²	136	41.6 Å²	41.6	64%	0.636	21%	0.206	S	C	*	.	H	α-helix	trans	-69.8	-43.2	179.2	180	175.6	-11.4	0	0	111.3	E526 L527 V531 V532 Q533	E526-Q529 WeakPolarHBondContact O-CB 3.33Å; E526-Q529 PolarHBondContact O-N 2.78Å; L527-Q529 VanDerWaalsContact C-N 3.28Å; L527-Q529 PolarHBondContact O-N 3.16Å; Q529-V531 VanDerWaalsContact C-N 3.27Å; Q529-V531 PolarHBondContact O-N 3.18Å; Q529-V532 PolarHBondContact O-N 3.07Å; Q529-Q533 WeakPolarHBondContact O-CB 3.42Å; Q529-Q533 PolarHBondContact O-N 3.14Å; Q529-Q533 VanDerWaalsContact O-CB 3.25Å
530	Q	95.9	Very high	92.6	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-35.6	178.1	-66.6	177.5	4.2	0	0	111.8	Y436 S466 R500 E526 L527 Y534	Y436-Q530 PolarHBondContact OH-O 2.85Å; S466-Q530 PolarHBondContact OG-OE1 2.89Å; R500-Q530 PolarHBondContact NH1-O 3.22Å; E526-Q530 HydrophobicContact CB-CG 4.24Å; E526-Q530 WeakPolarHBondContact O-CG 3.41Å; E526-Q530 PolarHBondContact O-N 2.9Å; E526-Q530 PolarHBondContact OE2-NE2 2.84Å; L527-Q530 PolarHBondContact O-N 3.14Å; Q530-Y534 PolarHBondContact O-N 2.88Å
531	V	96.4	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-53.9	172.4	171.8	0	0	0	0	110.8	F296 L306 Y436 L527 Q529 Q533 Y534 F535	F296-V531 HydrophobicContact CD2-CB 4.06Å; F296-V531 HydrophobicContact CD2-CG1 4.02Å; F296-V531 HydrophobicContact CD2-CG2 4.48Å; F296-V531 HydrophobicContact CE2-CB 4.27Å; F296-V531 HydrophobicContact CE2-CG1 4.23Å; F296-V531 HydrophobicContact CE2-CG2 4.19Å; L306-V531 HydrophobicContact CD2-CG2 4.41Å; Y436-V531 HydrophobicContact CD1-CG2 3.67Å; Y436-V531 HydrophobicContact CD2-CB 4.43Å; Y436-V531 HydrophobicContact CD2-CG1 4.34Å; Y436-V531 HydrophobicContact CD2-CG2 4.06Å; Y436-V531 HydrophobicContact CE1-CG2 3.7Å; Y436-V531 HydrophobicContact CE2-CB 4.34Å; Y436-V531 HydrophobicContact CE2-CG2 4.07Å; Y436-V531 HydrophobicContact CG-CG2 3.84Å; L527-V531 HydrophobicContact CD1-CG2 4.15Å; L527-V531 VanDerWaalsContact O-CG2 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.35Å; L527-V531 PolarHBondContact O-N 3.01Å; Q529-V531 VanDerWaalsContact C-N 3.27Å; Q529-V531 PolarHBondContact O-N 3.18Å; V531-Q533 PolarHBondContact O-N 3.05Å; V531-Y534 PolarHBondContact O-N 2.79Å; V531-F535 HydrophobicContact CG1-CD2 3.8Å; V531-F535 HydrophobicContact CG1-CE2 3.71Å; V531-F535 WeakPolarHBondContact O-CD2 3.47Å; V531-F535 PolarHBondContact O-N 3.22Å
532	V	94.9	Very high	92.9	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-44.6	-178.6	171.3	0	0	0	0	111.1	F296 Y299 P528 Q529 Y534 F535 K536	F296-V532 HydrophobicContact CB-CG2 3.84Å; F296-V532 VanDerWaalsContact N-CG2 3.3Å; Y299-V532 HydrophobicContact CD2-CG2 4.2Å; Y299-V532 HydrophobicContact CE2-CG2 4.24Å; P528-V532 VanDerWaalsContact O-CG2 3.27Å; P528-V532 WeakPolarHBondContact O-CG2 3.32Å; P528-V532 PolarHBondContact O-N 2.96Å; P528-V532 VanDerWaalsContact O-N 3.08Å; Q529-V532 PolarHBondContact O-N 3.07Å; V532-Y534 VanDerWaalsContact C-N 3.34Å; V532-Y534 PolarHBondContact O-N 3.07Å; V532-F535 PolarHBondContact O-N 2.83Å; V532-K536 PolarHBondContact O-N 3.36Å; V532-K536 WeakPolarHBondContact O-CG 3.4Å; V532-K536 VanDerWaalsContact O-CG 3.3Å; V532-K536 VanDerWaalsContact O-CB 3.26Å; V532-K536 HydrophobicContact CG1-CG 4.07Å; V532-K536 HydrophobicContact CG1-CD 3.63Å; V532-K536 WeakPolarHBondContact O-CB 3.32Å
533	Q	94.8	Very high	92.6	Very high	77 Å²	77	41.6 Å²	41.6	36%	0.36	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-44	179.7	-176.7	178.2	3.3	0	0	111.6	R500 Q529 V531 H537	R500-Q533 HydrophobicContact CB-CG 4.48Å; Q529-Q533 WeakPolarHBondContact O-CB 3.42Å; Q529-Q533 PolarHBondContact O-N 3.14Å; Q529-Q533 VanDerWaalsContact O-CB 3.25Å; V531-Q533 PolarHBondContact O-N 3.05Å; Q533-H537 WeakPolarHBondContact O-CB 3.46Å; Q533-H537 PolarHBondContact O-N 3.34Å
534	Y	96.7	Very high	91.8	Very high	5 Å²	5	46 Å²	46	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-54.1	177.9	173.9	-94.6	0	0	0	111.7	Y436 L463 P464 Q530 V531 V532 K536 H537 K538	Y436-Y534 HydrophobicContact CD2-CD1 4.4Å; Y436-Y534 HydrophobicContact CE2-CD1 4.19Å; Y436-Y534 HydrophobicContact CE2-CG 4.13Å; L463-Y534 VanDerWaalsContact O-CD2 3.32Å; L463-Y534 WeakPolarHBondContact O-CD2 3.42Å; L463-Y534 WeakPolarHBondContact O-CE2 3.32Å; P464-Y534 HydrophobicContact CB-CD1 3.88Å; P464-Y534 HydrophobicContact CB-CE1 3.42Å; P464-Y534 VanDerWaalsContact CB-CE1 3.42Å; P464-Y534 HydrophobicContact CB-CE2 4.29Å; P464-Y534 WeakPolarHBondContact CD-OH 3.27Å; P464-Y534 HydrophobicContact CG-CE1 4.28Å; Q530-Y534 PolarHBondContact O-N 2.88Å; V531-Y534 PolarHBondContact O-N 2.79Å; V532-Y534 VanDerWaalsContact C-N 3.34Å; V532-Y534 PolarHBondContact O-N 3.07Å; Y534-K536 PolarHBondContact O-N 3.23Å; Y534-H537 PolarHBondContact O-N 3.08Å; Y534-K538 HydrophobicContact CE2-CD 4.48Å; Y534-K538 PolarHBondContact O-N 3.2Å; Y534-K538 WeakPolarHBondContact O-CG 3.01Å; Y534-K538 HydrophobicContact CE2-CG 3.89Å; Y534-K538 HydrophobicContact CE1-CG 4.06Å; Y534-K538 HydrophobicContact CD2-CG 4.39Å
535	F	95.8	Very high	90.2	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-36.9	-175.3	-69.4	-52.1	0	0	0	112.3	Y299 A433 Y436 V531 V532 K538 N539 L540	Y299-F535 HydrophobicContact CD1-CB 4.42Å; Y299-F535 AromaticContact CD1-CD2 3.98Å; Y299-F535 HydrophobicContact CD1-CD2 3.98Å; Y299-F535 HydrophobicContact CD1-CG 4.37Å; Y299-F535 HydrophobicContact CD2-CD2 4.19Å; Y299-F535 HydrophobicContact CE1-CB 3.65Å; Y299-F535 HydrophobicContact CE1-CD2 4.06Å; Y299-F535 HydrophobicContact CE1-CG 4.03Å; Y299-F535 HydrophobicContact CE2-CB 3.97Å; Y299-F535 HydrophobicContact CE2-CD2 4.28Å; Y299-F535 HydrophobicContact CG-CD2 4.05Å; Y299-F535 VanDerWaalsContact OH-CB 3.3Å; Y299-F535 WeakPolarHBondContact OH-CB 3.48Å; A433-F535 HydrophobicContact CB-CB 4.36Å; A433-F535 HydrophobicContact CB-CD1 3.48Å; A433-F535 VanDerWaalsContact CB-CD1 3.48Å; A433-F535 HydrophobicContact CB-CD2 3.77Å; A433-F535 HydrophobicContact CB-CE1 3.54Å; A433-F535 HydrophobicContact CB-CE2 3.8Å; A433-F535 HydrophobicContact CB-CG 3.61Å; A433-F535 HydrophobicContact CB-CZ 3.71Å; Y436-F535 AromaticContact CD2-CE2 3.99Å; Y436-F535 HydrophobicContact CD2-CE2 3.99Å; Y436-F535 AromaticContact CD2-CZ 3.99Å; Y436-F535 HydrophobicContact CD2-CZ 3.99Å; V531-F535 HydrophobicContact CG1-CD2 3.8Å; V531-F535 HydrophobicContact CG1-CE2 3.71Å; V531-F535 WeakPolarHBondContact O-CD2 3.47Å; V531-F535 PolarHBondContact O-N 3.22Å; V532-F535 PolarHBondContact O-N 2.83Å; F535-K538 CarbonylContact O-C 3.48Å; F535-K538 PolarHBondContact O-N 3.49Å; F535-N539 PolarHBondContact O-N 2.56Å; F535-L540 HydrophobicContact CB-CB 4.49Å; F535-L540 PolarHBondContact O-N 3Å; F535-L540 HydrophobicContact CE1-CD1 4.41Å; F535-L540 HydrophobicContact CD1-CD1 3.99Å; F535-L540 HydrophobicContact CD1-CB 4.11Å
536	K	91.6	Very high	88.4	Confident	74 Å²	74	55.2 Å²	55.2	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-47.6	171.7	-75	-173.9	-179.6	-179.9	0	111.7	D293 Y294 V532 Y534 K538 N539	D293-K536 WeakPolarHBondContact OD1-CE 3.46Å; D293-K536 IonicContact OD1-NZ 3Å; D293-K536 PolarHBondContact OD1-NZ 3.02Å; D293-K536 IonicContact OD2-NZ 2.71Å; D293-K536 PolarHBondContact OD2-NZ 2.92Å; Y294-K536 WeakPolarHBondContact O-CE 3.19Å; V532-K536 PolarHBondContact O-N 3.36Å; V532-K536 WeakPolarHBondContact O-CG 3.4Å; V532-K536 VanDerWaalsContact O-CG 3.3Å; V532-K536 VanDerWaalsContact O-CB 3.26Å; V532-K536 HydrophobicContact CG1-CG 4.07Å; V532-K536 HydrophobicContact CG1-CD 3.63Å; V532-K536 WeakPolarHBondContact O-CB 3.32Å; Y534-K536 PolarHBondContact O-N 3.23Å; K536-K538 PolarHBondContact O-N 3.43Å; K536-N539 PolarHBondContact O-N 3.21Å
537	H	92.3	Very high	86	Confident	121 Å²	121	58.9 Å²	58.9	56%	0.56	31%	0.306	S	S	*	.	H	α-helix	trans	-60.8	-33.3	178.1	176.2	-124.6	0	0	0	112.6	Q533 Y534 N539	Q533-H537 WeakPolarHBondContact O-CB 3.46Å; Q533-H537 PolarHBondContact O-N 3.34Å; Y534-H537 PolarHBondContact O-N 3.08Å; H537-N539 VanDerWaalsContact C-N 3.34Å
538	K	93.3	Very high	83.1	Confident	88 Å²	88	66 Å²	66	38%	0.383	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.9	175.1	-62.9	-60.8	-173.8	178.2	0	114.2	Y534 F535 K536 L540	Y534-K538 HydrophobicContact CE2-CD 4.48Å; Y534-K538 PolarHBondContact O-N 3.2Å; Y534-K538 WeakPolarHBondContact O-CG 3.01Å; Y534-K538 HydrophobicContact CE2-CG 3.89Å; Y534-K538 HydrophobicContact CE1-CG 4.06Å; Y534-K538 HydrophobicContact CD2-CG 4.39Å; F535-K538 CarbonylContact O-C 3.48Å; F535-K538 PolarHBondContact O-N 3.49Å; K536-K538 PolarHBondContact O-N 3.43Å; K538-L540 HydrophobicContact CB-CD1 3.84Å; K538-L540 HydrophobicContact CB-CG 3.8Å; K538-L540 PolarHBondContact O-N 3.14Å
539	N	91.2	Very high	82.5	Confident	143 Å²	143	68.4 Å²	68.4	77%	0.765	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.4	-172.4	-58.2	-70.3	0	0	0	113.1	F535 K536 H537	F535-N539 PolarHBondContact O-N 2.56Å; K536-N539 PolarHBondContact O-N 3.21Å; H537-N539 VanDerWaalsContact C-N 3.34Å
540	L	91.9	Very high	81.9	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.136	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-92.5	121	179.2	-68.4	174.8	0	0	0	110	Y299 A433 F535 K538	Y299-L540 WeakPolarHBondContact CE1-O 3.38Å; Y299-L540 PolarHBondContact OH-O 2.81Å; A433-L540 HydrophobicContact CB-CB 4.5Å; F535-L540 HydrophobicContact CB-CB 4.49Å; F535-L540 PolarHBondContact O-N 3Å; F535-L540 HydrophobicContact CE1-CD1 4.41Å; F535-L540 HydrophobicContact CD1-CD1 3.99Å; F535-L540 HydrophobicContact CD1-CB 4.11Å; K538-L540 HydrophobicContact CB-CD1 3.84Å; K538-L540 HydrophobicContact CB-CG 3.8Å; K538-L540 PolarHBondContact O-N 3.14Å
541	P	92	Very high	81.2	Confident	41 Å²	41	68.1 Å²	68.1	27%	0.266	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-78.9	159.9	174.1	33.2	-34.4	0	0	0	111.1	Y294 T432 A433	Y294-P541 HydrophobicContact CE2-CB 4Å; T432-P541 WeakPolarHBondContact CA-O 3.12Å; A433-P541 PolarHBondContact N-O 3.47Å
542	P	91.3	Very high	80.3	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.019	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-57.7	148	164	-15.5	27.3	0	0	0	110.9	Y294 D298 Y299 N544 S545	Y294-P542 HydrophobicContact CD1-CG 3.5Å; Y294-P542 HydrophobicContact CD2-CG 4.33Å; Y294-P542 VanDerWaalsContact CE1-CD 3.49Å; Y294-P542 HydrophobicContact CE1-CG 3.77Å; Y294-P542 HydrophobicContact CG-CG 3.8Å; D298-P542 HydrophobicContact CB-CG 4.27Å; D298-P542 WeakPolarHBondContact O-CB 3.33Å; Y299-P542 HydrophobicContact CD1-CB 4.15Å; Y299-P542 HydrophobicContact CD1-CG 3.71Å; Y299-P542 HydrophobicContact CE1-CG 3.91Å; Y299-P542 HydrophobicContact CG-CG 4.44Å; P542-N544 VanDerWaalsContact C-N 3.32Å; P542-N544 PolarHBondContact O-N 3.29Å; P542-S545 PolarHBondContact O-N 2.94Å
543	T	85.1	Confident	79.3	Confident	56 Å²	56	75.3 Å²	75.3	34%	0.344	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.9	-175	-48.8	0	0	0	0	112.6	G302 T432 T434	G302-T543 VanDerWaalsContact O-CB 3.28Å; G302-T543 WeakPolarHBondContact O-CB 3.39Å; G302-T543 PolarHBondContact O-N 2.96Å; T432-T543 PolarHBondContact OG1-OG1 2.78Å; T434-T543 HydrophobicContact CG2-CG2 4.45Å; T434-T543 WeakPolarHBondContact CG2-OG1 3.23Å
544	N	71.3	Confident	78.3	Confident	94 Å²	94	75.1 Å²	75.1	50%	0.503	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	63.1	176.5	-63.5	-42	0	0	0	111.3	G302 P542 E546	G302-N544 PolarHBondContact O-N 3.49Å; P542-N544 VanDerWaalsContact C-N 3.32Å; P542-N544 PolarHBondContact O-N 3.29Å; N544-E546 VanDerWaalsContact C-N 3.33Å; N544-E546 PolarHBondContact O-N 2.66Å
545	S	58.9	Low	77	Confident	51 Å²	51	80.1 Å²	80.1	36%	0.357	46%	0.456	S	S	.	.			trans	-77.9	-10.1	-176.2	59.6	0	0	0	0	115.1	P542	P542-S545 PolarHBondContact O-N 2.94Å
546	E	48.5	Very low	75.6	Confident	160 Å²	160	86.1 Å²	86.1	75%	0.748	49%	0.49	S	S	*	.	S	Bend	trans	-72.6	134.4	177.8	-69.4	-164	165.3	0	0	110.7	N544 A548	N544-E546 VanDerWaalsContact C-N 3.33Å; N544-E546 PolarHBondContact O-N 2.66Å; E546-A548 PolarHBondContact O-N 3.36Å
547	P	42.1	Very low	74.2	Confident	109 Å²	109	87.1 Å²	87.1	71%	0.708	50%	0.504	S	S	*	.			trans	-59.1	135.4	170.5	26.6	-32.9	0	0	0	109.2
548	A	32.9	Very low	72.6	Confident	153 Å²	153	84 Å²	84	100%	1.264	50%	0.499	S	S	*	.			trans	-64.1	0	171	0	0	0	0	0	111.3	E546	E546-A548 PolarHBondContact O-N 3.36Å

Retrieved 548 of 548 residues in 1358.6 ms (Link to these results)

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