A0A3B3TQ06_9TELE Loading...

Copine-7

Calcium-dependent phospholipid-binding protein that may play a role in calcium-mediated intracellular processes.

AlphaFold DB , UniProt , Accession A0A3B3TQ06, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 563 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	34.4	Very low	27.3	Very low	237 Å²	237	151.8 Å²	151.8	100%	1.167	87%	0.868	S	S	*	*				0	69.1	0	-65.4	177.3	-169.2	0	0	105.2
2	N	29	Very low	27.2	Very low	156 Å²	156	150 Å²	150	83%	0.834	86%	0.862	S	S	*	*				56.2	94.8	83.4	-76.6	20.4	0	0	0	112.1
3	E	26.6	Very low	27.2	Very low	203 Å²	203	146.4 Å²	146.4	95%	0.949	85%	0.851	S	S	*	*			trans	-147.5	106.5	138.1	-107.9	172.4	-170.6	0	0	106.9
4	V	29.8	Very low	27.6	Very low	134 Å²	134	148.6 Å²	148.6	81%	0.812	86%	0.857	S	S	*	*			trans	-94.8	120.3	173.6	173.8	0	0	0	0	105.8
5	Q	26.6	Very low	27.9	Very low	194 Å²	194	145.6 Å²	145.6	91%	0.907	85%	0.848	S	S	*	*			trans	-89.5	103	173.9	-136.3	166.9	9.1	0	0	107.2	A7	Q5-A7 PolarHBondContact O-N 2.84Å
6	E	26.5	Very low	27.8	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	84%	0.837	S	S	*	*			trans	-67.7	116.8	171.8	-89.5	176.1	152.1	0	0	109.8	T8	E6-T8 PolarHBondContact O-N 2.68Å
7	A	25.7	Very low	27.9	Very low	98 Å²	98	138.5 Å²	138.5	81%	0.81	83%	0.828	S	S	*	*			trans	-75.3	118.5	166.5	0	0	0	0	0	108.8	Q5	Q5-A7 PolarHBondContact O-N 2.84Å
8	T	25.9	Very low	28.4	Very low	139 Å²	139	135.4 Å²	135.4	85%	0.853	82%	0.82	S	S	*	*			trans	-80.3	114.3	173.6	31.5	0	0	0	0	109.4	E6	E6-T8 PolarHBondContact O-N 2.68Å
9	S	24.3	Very low	29.1	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	82%	0.815	S	S	*	*			trans	-75.8	135.3	167.9	-57	0	0	0	0	109.8	A11	S9-A11 PolarHBondContact O-N 3.28Å
10	P	26.2	Very low	30	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	81%	0.808	S	S	*	*			trans	-75.7	111.8	173.8	29.9	-29.1	0	0	0	108.8	T12	P10-T12 PolarHBondContact O-N 3.4Å
11	A	25.4	Very low	31.6	Very low	101 Å²	101	129.6 Å²	129.6	84%	0.835	79%	0.789	S	S	*	*			trans	-68.3	105.7	163	0	0	0	0	0	107.8	S9 S13	S9-A11 PolarHBondContact O-N 3.28Å; A11-S13 PolarHBondContact O-N 3.36Å
12	T	26	Very low	33.8	Very low	130 Å²	130	119 Å²	119	80%	0.798	74%	0.737	S	S	*	*			trans	-66.1	116.8	164.2	19.2	0	0	0	0	108.3	P10 L14	P10-T12 PolarHBondContact O-N 3.4Å; T12-L14 PolarHBondContact O-N 2.82Å; T12-L14 VanDerWaalsContact O-N 3.1Å
13	S	27.6	Very low	36.6	Very low	103 Å²	103	116.7 Å²	116.7	72%	0.72	72%	0.72	S	S	*	*			trans	-67	95.5	175.6	50.5	0	0	0	0	110.7	A11 S15	A11-S13 PolarHBondContact O-N 3.36Å; S13-S15 PolarHBondContact O-N 3.01Å
14	L	31.9	Very low	39.6	Very low	177 Å²	177	107 Å²	107	93%	0.927	68%	0.675	S	S	*	*			trans	-85.6	85.1	158.5	-81.1	158.9	0	0	0	107.7	T12	T12-L14 PolarHBondContact O-N 2.82Å; T12-L14 VanDerWaalsContact O-N 3.1Å
15	S	31.8	Very low	42.5	Very low	104 Å²	104	103.4 Å²	103.4	73%	0.727	65%	0.649	S	S	*	*			trans	-123.2	74	174	61.9	0	0	0	0	109.5	S13	S13-S15 PolarHBondContact O-N 3.01Å
16	G	27.1	Very low	45.6	Very low	65 Å²	65	94.2 Å²	94.2	67%	0.67	61%	0.606	S	S	*	*			trans	-93	137.6	148.4	0	0	0	0	0	108	A18	G16-A18 PolarHBondContact O-N 3.06Å
17	P	29.5	Very low	48.5	Very low	105 Å²	105	90.3 Å²	90.3	68%	0.682	58%	0.584	S	S	*	*			trans	-68	128.6	176.1	30.9	-32.2	0	0	0	108.1	T19	P17-T19 HydrophobicContact CB-CG2 3.95Å; P17-T19 HydrophobicContact CG-CG2 3.94Å; P17-T19 PolarHBondContact O-N 3.14Å; P17-T19 PolarHBondContact O-OG1 3.46Å
18	A	37.3	Very low	51.5	Low	83 Å²	83	85.9 Å²	85.9	69%	0.686	55%	0.547	S	S	*	.			trans	-61.7	89.4	165.9	0	0	0	0	0	108.2	G16	G16-A18 PolarHBondContact O-N 3.06Å
19	T	41.2	Very low	54.3	Low	120 Å²	120	80.3 Å²	80.3	74%	0.736	51%	0.513	S	S	*	.			trans	-105.4	84.9	-178.5	42.1	0	0	0	0	110.7	P17	P17-T19 HydrophobicContact CB-CG2 3.95Å; P17-T19 HydrophobicContact CG-CG2 3.94Å; P17-T19 PolarHBondContact O-N 3.14Å; P17-T19 PolarHBondContact O-OG1 3.46Å
20	C	46.7	Very low	57.6	Low	98 Å²	98	75.1 Å²	75.1	66%	0.662	48%	0.477	S	S	*	.			trans	-172.7	78.4	131.5	-160.7	0	0	0	0	108.9	S22	C20-S22 VanDerWaalsContact C-N 3.31Å; C20-S22 PolarHBondContact O-N 2.65Å
21	V	64.3	Low	60.6	Low	67 Å²	67	75.3 Å²	75.3	41%	0.406	47%	0.466	S	S	.	.			trans	-78.2	88.6	168.9	-175.3	0	0	0	0	107.3	D80 Y82	V21-D80 HydrophobicContact CG1-CB 3.66Å; V21-Y82 HydrophobicContact CG1-CE1 4.42Å; V21-Y82 HydrophobicContact CG2-CE1 3.92Å
22	S	80.3	Confident	63.8	Low	13 Å²	13	72.3 Å²	72.3	9%	0.091	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	144.3	165.4	-75.5	0	0	0	0	108.8	C20 Y81 E149	C20-S22 VanDerWaalsContact C-N 3.31Å; C20-S22 PolarHBondContact O-N 2.65Å; S22-Y81 PolarHBondContact O-N 2.96Å; S22-E149 VanDerWaalsContact CB-OE1 3.23Å; S22-E149 WeakPolarHBondContact CB-OE1 3.28Å; S22-E149 PolarHBondContact OG-OE1 3.43Å
23	K	87.4	Confident	66.9	Low	109 Å²	109	66.4 Å²	66.4	47%	0.474	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.6	172.9	-66.8	-169.5	176.5	-161	0	109.7	L79 D80 I150	K23-L79 CarbonylContact C-O 3.47Å; K23-L79 WeakPolarHBondContact CA-O 3.36Å; K23-D80 VanDerWaalsContact CE-OD1 3.23Å; K23-D80 WeakPolarHBondContact CE-OD1 3.05Å; K23-D80 IonicContact NZ-OD1 2.61Å; K23-I150 HydrophobicContact CB-CB 3.99Å; K23-I150 HydrophobicContact CB-CD1 3.7Å; K23-I150 HydrophobicContact CB-CG1 4Å; K23-I150 PolarHBondContact O-N 2.92Å
24	V	90.4	Very high	69.8	Low	0 Å²	0	63.7 Å²	63.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.6	-178.8	-180	0	0	0	0	109.4	L26 G78 L79 Y81 L117 V121 A147 E148 L297 M301	V24-L26 HydrophobicContact CG1-CD2 3.72Å; V24-G78 WeakPolarHBondContact O-CA 3.32Å; V24-L79 PolarHBondContact N-O 2.65Å; V24-L79 PolarHBondContact O-N 3.06Å; V24-Y81 HydrophobicContact CG2-CG 4.43Å; V24-L117 HydrophobicContact CG1-CD1 4.33Å; V24-V121 HydrophobicContact CG1-CG1 4.08Å; V24-V121 HydrophobicContact CG2-CG1 4.01Å; V24-A147 HydrophobicContact CG1-CB 3.93Å; V24-E148 CarbonylContact C-O 3.58Å; V24-E148 WeakPolarHBondContact CA-O 3.29Å; V24-L297 HydrophobicContact CG2-CD1 3.58Å; V24-M301 HydrophobicContact CG1-CE 4.2Å; V24-M301 HydrophobicContact CG2-CE 4.2Å
25	E	91.1	Very high	72.1	Confident	58 Å²	58	59.1 Å²	59.1	27%	0.271	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.5	168.7	-79.8	-176.5	-176.1	0	0	110.2	R27 V76 F77 A147 E148 I150	E25-R27 IonicContact OE2-NH2 3.29Å; E25-R27 PolarHBondContact OE2-NH2 3.47Å; E25-R27 VanDerWaalsContact OE2-NH2 3.15Å; E25-V76 HydrophobicContact CB-CG1 3.53Å; E25-V76 HydrophobicContact CG-CG1 3.54Å; E25-F77 CarbonylContact C-O 3.54Å; E25-F77 WeakPolarHBondContact CA-O 3.31Å; E25-A147 WeakPolarHBondContact O-CA 3.38Å; E25-E148 PolarHBondContact N-O 3.15Å; E25-E148 PolarHBondContact O-N 2.95Å; E25-I150 HydrophobicContact CG-CD1 3.69Å; E25-I150 HydrophobicContact CG-CG1 3.64Å
26	L	90.4	Very high	73.8	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	173.1	-52.2	-176.2	0	0	0	110.4	V24 F77 L79 L89 F91 L117 I120 V145 H146 A147	V24-L26 HydrophobicContact CG1-CD2 3.72Å; L26-F77 HydrophobicContact CB-CB 4.23Å; L26-F77 PolarHBondContact N-O 2.94Å; L26-F77 PolarHBondContact O-N 3.4Å; L26-L79 HydrophobicContact CD1-CD1 3.5Å; L26-L79 VanDerWaalsContact CD1-CD1 3.5Å; L26-L79 HydrophobicContact CG-CD1 3.7Å; L26-L89 HydrophobicContact CD1-CD1 3.99Å; L26-F91 HydrophobicContact CD1-CZ 4.05Å; L26-L117 HydrophobicContact CD1-CD1 4.21Å; L26-L117 HydrophobicContact CD2-CD1 4.15Å; L26-I120 HydrophobicContact CD1-CD1 4.04Å; L26-I120 HydrophobicContact CD2-CG2 3.99Å; L26-V145 HydrophobicContact CB-CG1 4.11Å; L26-V145 HydrophobicContact CD1-CG1 4.39Å; L26-V145 HydrophobicContact CD2-CG1 4.35Å; L26-H146 WeakPolarHBondContact CA-O 3.32Å; L26-A147 HydrophobicContact CD2-CB 3.72Å
27	R	88.1	Confident	75.5	Confident	97 Å²	97	58.6 Å²	58.6	37%	0.366	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134	173.7	-59.1	175.5	-175.4	-73.7	-12.3	108.8	E25 V76 V145 H146 E148	E25-R27 IonicContact OE2-NH2 3.29Å; E25-R27 PolarHBondContact OE2-NH2 3.47Å; E25-R27 VanDerWaalsContact OE2-NH2 3.15Å; R27-V76 HydrophobicContact CG-CG2 4.36Å; R27-V145 WeakPolarHBondContact O-CA 3.28Å; R27-H146 HydrophobicContact CB-CB 4.47Å; R27-H146 PolarHBondContact N-O 3.23Å; R27-H146 PolarHBondContact O-N 2.87Å; R27-E148 IonicContact CZ-OE2 3.72Å; R27-E148 IonicContact NE-OE2 3.98Å; R27-E148 PolarHBondContact NE-OE2 3.44Å; R27-E148 IonicContact NH2-OE2 3.38Å
28	V	88.7	Confident	76.7	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.1	-173.5	-61.9	0	0	0	0	112.5	V46 T62 F73 F77 F91 T144 V145	V28-V46 HydrophobicContact CG2-CB 4.38Å; V28-V46 HydrophobicContact CG2-CG2 4.42Å; V28-T62 HydrophobicContact CG2-CG2 3.75Å; V28-F73 HydrophobicContact CG2-CB 4.16Å; V28-F73 HydrophobicContact CG2-CD2 3.85Å; V28-F73 HydrophobicContact CG2-CG 4.28Å; V28-F73 WeakPolarHBondContact O-CD2 3.33Å; V28-F73 PolarHBondContact O-N 2.98Å; V28-F77 HydrophobicContact CG1-CD2 4.23Å; V28-F77 HydrophobicContact CG1-CE2 3.95Å; V28-F77 HydrophobicContact CG2-CE2 3.79Å; V28-F91 HydrophobicContact CG1-CD1 4.08Å; V28-F91 HydrophobicContact CG1-CE1 3.75Å; V28-T144 WeakPolarHBondContact CA-O 3.4Å; V28-V145 HydrophobicContact CG1-CG1 4.18Å; V28-V145 HydrophobicContact CG1-CG2 4.17Å
29	S	85.4	Confident	77.8	Confident	22 Å²	22	63.9 Å²	63.9	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.2	170.7	61.2	0	0	0	0	110.5	P71 I143 T144	S29-P71 WeakPolarHBondContact CA-O 3.32Å; S29-P71 WeakPolarHBondContact CB-O 3.42Å; S29-I143 CarbonylContact O-C 3.56Å; S29-I143 WeakPolarHBondContact O-CA 3.17Å; S29-T144 PolarHBondContact N-O 3.44Å; S29-T144 PolarHBondContact O-N 3.15Å
30	C	92.1	Very high	79.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.4	176.7	-58.1	0	0	0	0	111.3	L33 H70 P71 T142	C30-L33 HydrophobicContact CB-CD1 3.96Å; C30-L33 HydrophobicContact CB-CD2 3.69Å; C30-L33 HydrophobicContact CB-CG 3.85Å; C30-H70 CarbonylContact O-C 3.55Å; C30-H70 VanDerWaalsContact O-C 3.3Å; C30-H70 VanDerWaalsContact O-CA 3.23Å; C30-H70 WeakPolarHBondContact O-CA 3.25Å; C30-P71 HydrophobicContact CB-CG 3.74Å; C30-P71 PolarHBondContact N-O 2.92Å; C30-T142 CarbonylContact C-O 3.58Å; C30-T142 WeakPolarHBondContact CA-O 3.43Å; C30-T142 WeakPolarHBondContact CB-O 3.4Å
31	K	90.5	Very high	80.6	Confident	124 Å²	124	64 Å²	64	54%	0.539	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.4	172.6	-66.6	-177.9	179.7	177.4	0	111	L33 L69 S141 T142	K31-L33 VanDerWaalsContact C-N 3.26Å; K31-L33 PolarHBondContact O-N 2.79Å; K31-L69 CarbonylContact C-O 3.58Å; K31-S141 WeakPolarHBondContact O-CA 3.45Å; K31-T142 PolarHBondContact N-O 3.26Å; K31-T142 PolarHBondContact O-N 2.9Å
32	A	92.1	Very high	81.6	Confident	38 Å²	38	60.9 Å²	60.9	31%	0.314	31%	0.305	S	S	.	.	S	Bend	trans	55.8	41.3	174.1	0	0	0	0	0	112.6	L69 H70 K140 S141	A32-L69 PolarHBondContact N-O 3Å; A32-H70 PolarHBondContact N-CE1 3.19Å; A32-H70 VanDerWaalsContact N-CE1 3.26Å; A32-H70 PolarHBondContact N-ND1 3.26Å; A32-H70 VanDerWaalsContact N-ND1 3.19Å; A32-K140 HydrophobicContact CB-CB 4.2Å; A32-S141 VanDerWaalsContact O-CA 3.28Å; A32-S141 WeakPolarHBondContact O-CA 3.47Å; A32-S141 PolarHBondContact O-N 2.97Å; A32-S141 PolarHBondContact O-OG 3.11Å
33	L	91.3	Very high	81.9	Confident	5 Å²	5	62 Å²	62	3%	0.026	31%	0.31	C	S	.	.			trans	-55.7	149.5	174	-67.2	-178.9	0	0	0	110.8	C30 K31 D35 P44 L69 P71 V93 L110 L130 S141	C30-L33 HydrophobicContact CB-CD1 3.96Å; C30-L33 HydrophobicContact CB-CD2 3.69Å; C30-L33 HydrophobicContact CB-CG 3.85Å; K31-L33 VanDerWaalsContact C-N 3.26Å; K31-L33 PolarHBondContact O-N 2.79Å; L33-D35 PolarHBondContact O-N 3.29Å; L33-P44 HydrophobicContact CD1-CB 3.53Å; L33-P44 HydrophobicContact CD1-CG 3.89Å; L33-L69 HydrophobicContact CB-CB 4.38Å; L33-L69 HydrophobicContact CB-CD2 4.31Å; L33-L69 PolarHBondContact N-O 2.86Å; L33-P71 HydrophobicContact CD1-CG 3.79Å; L33-V93 HydrophobicContact CD1-CG1 4.21Å; L33-V93 HydrophobicContact CD2-CG1 4.2Å; L33-L110 HydrophobicContact CB-CD1 4.47Å; L33-L110 HydrophobicContact CD1-CD1 4.2Å; L33-L130 HydrophobicContact CD2-CD1 3.62Å; L33-S141 WeakPolarHBondContact CA-OG 3.27Å
34	L	87.1	Confident	82.1	Confident	47 Å²	47	56.9 Å²	56.9	25%	0.246	29%	0.288	C	S	.	.			trans	-61.4	132.6	174.6	-70.1	176.5	0	0	0	109.9	S42 L110 L132 A138 S141	L34-S42 PolarHBondContact O-OG 3.38Å; L34-L110 HydrophobicContact CB-CD2 4.32Å; L34-L132 HydrophobicContact CD1-CD2 4.2Å; L34-A138 HydrophobicContact CD1-CB 3.85Å; L34-A138 HydrophobicContact CG-CB 4.25Å; L34-S141 PolarHBondContact N-OG 3.27Å
35	D	80.4	Confident	82.2	Confident	81 Å²	81	56.9 Å²	56.9	43%	0.433	29%	0.288	S	S	.	.			trans	-91.7	104.7	170.8	-155.5	-2.7	0	0	0	107.4	L33 K41 L69	L33-D35 PolarHBondContact O-N 3.29Å; D35-K41 WeakPolarHBondContact OD1-CA 3.25Å; D35-L69 HydrophobicContact CB-CD1 4.09Å; D35-L69 HydrophobicContact CB-CD2 4.3Å
36	R	68.5	Low	82.3	Confident	101 Å²	101	54.1 Å²	54.1	38%	0.381	28%	0.275	S	S	.	.			trans	-92.3	-16.3	-179.3	-78.7	-161.6	169.5	164.1	13.4	113.4	D108 F109 L110	R36-D108 IonicContact CZ-OD1 2.77Å; R36-D108 IonicContact NH1-OD1 2.7Å; R36-D108 PolarHBondContact NH1-OD1 3.01Å; R36-F109 PolarHBondContact NH1-O 2.88Å; R36-F109 PolarHBondContact NH2-O 2.96Å; R36-L110 HydrophobicContact CG-CD2 4.21Å
37	D	61.8	Low	82.6	Confident	56 Å²	56	54.4 Å²	54.4	30%	0.299	28%	0.276	S	S	.	.			trans	-95	136.6	-177.9	-82.8	-12.3	0	0	0	111.3	L39 N40 H97	D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.25Å; D37-N40 WeakPolarHBondContact CB-O 3.36Å; D37-H97 IonicContact OD1-CE1 3.43Å; D37-H97 IonicContact OD2-CE1 3.94Å; D37-H97 PolarHBondContact OD2-CE1 2.95Å; D37-H97 IonicContact OD2-ND1 3.75Å
38	T	56.4	Low	83	Confident	143 Å²	143	49.8 Å²	49.8	88%	0.877	26%	0.259	S	S	*	.	S	Bend	trans	-81.9	-8.5	-179.1	45.8	0	0	0	0	113.3
39	L	60	Low	83.4	Confident	157 Å²	157	50.8 Å²	50.8	82%	0.822	26%	0.264	S	S	*	.	S	Bend	trans	-128.4	-32.1	-170.6	-69.2	169.2	0	0	0	113.9	D37	D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.25Å
40	N	68	Low	83.9	Confident	109 Å²	109	51.3 Å²	51.3	58%	0.583	27%	0.266	S	S	*	.	S	Bend	trans	-129.9	160.7	178.3	-68	-27.5	0	0	0	109.4	D37	D37-N40 WeakPolarHBondContact CB-O 3.36Å
41	K	79.1	Confident	83.9	Confident	112 Å²	112	54.4 Å²	54.4	49%	0.487	28%	0.28	S	S	.	.			trans	-80.7	153.7	171.5	-66.8	174	-178.9	176	0	109.5	D35 S67 L69	D35-K41 WeakPolarHBondContact OD1-CA 3.25Å; K41-S67 WeakPolarHBondContact O-CA 3.18Å; K41-L69 HydrophobicContact CB-CD2 4.37Å; K41-L69 HydrophobicContact CB-CG 4.46Å; K41-L69 HydrophobicContact CD-CG 4.46Å; K41-L69 HydrophobicContact CG-CG 4.5Å
42	S	84	Confident	83.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.			trans	-53.1	146.7	174.8	-63.5	0	0	0	0	114.4	L34 P44 S67 N68 D95	L34-S42 PolarHBondContact O-OG 3.38Å; S42-P44 WeakPolarHBondContact O-CD 3.48Å; S42-S67 CarbonylContact O-C 3.57Å; S42-S67 WeakPolarHBondContact O-CA 3.31Å; S42-S67 PolarHBondContact O-N 3.25Å; S42-N68 PolarHBondContact O-N 3.13Å; S42-D95 VanDerWaalsContact CA-OD1 3.31Å; S42-D95 WeakPolarHBondContact CA-OD1 3.13Å; S42-D95 WeakPolarHBondContact CA-OD2 3.03Å; S42-D95 WeakPolarHBondContact CB-OD2 3.25Å; S42-D95 PolarHBondContact OG-OD2 2.9Å
43	D	87.9	Confident	83	Confident	38 Å²	38	58.6 Å²	58.6	20%	0.203	30%	0.303	C	S	.	.			trans	-104.3	75.7	175.1	-75.2	3.6	0	0	0	109.5	V64 I65 K66 S67 D95 I96	D43-V64 HydrophobicContact CB-CG1 3.91Å; D43-V64 WeakPolarHBondContact O-CG1 3.21Å; D43-I65 CarbonylContact C-O 3.6Å; D43-I65 WeakPolarHBondContact CA-O 3.02Å; D43-K66 VanDerWaalsContact OD1-CA 3.27Å; D43-K66 WeakPolarHBondContact OD1-CA 3.09Å; D43-S67 PolarHBondContact OD1-N 3.49Å; D43-D95 PolarHBondContact N-OD1 3.38Å; D43-I96 PolarHBondContact O-N 2.92Å
44	P	90.5	Very high	82.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	145.7	-169.8	27.7	-41	0	0	0	115.6	L33 S42 V64 I65 N68 P71 F73 V93 Y94	L33-P44 HydrophobicContact CD1-CB 3.53Å; L33-P44 HydrophobicContact CD1-CG 3.89Å; S42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-V64 WeakPolarHBondContact O-CA 3.2Å; P44-I65 WeakPolarHBondContact CD-O 3.13Å; P44-I65 PolarHBondContact O-N 3.1Å; P44-I65 VanDerWaalsContact O-N 3.09Å; P44-N68 WeakPolarHBondContact CD-O 3.36Å; P44-N68 VanDerWaalsContact CG-O 3.22Å; P44-N68 WeakPolarHBondContact CG-O 3.35Å; P44-P71 HydrophobicContact CB-CG 4.06Å; P44-P71 HydrophobicContact CG-CB 3.73Å; P44-P71 HydrophobicContact CG-CG 3.59Å; P44-F73 HydrophobicContact CB-CZ 4.25Å; P44-F73 HydrophobicContact CG-CZ 4.49Å; P44-V93 HydrophobicContact CB-CG1 4.41Å; P44-Y94 CarbonylContact C-O 3.55Å; P44-Y94 VanDerWaalsContact CA-O 3.25Å; P44-Y94 WeakPolarHBondContact CA-O 3.35Å
45	C	92.4	Very high	82.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.6	167.3	179.1	0	0	0	0	109.8	T62 V64 V93 Y94 I96	C45-T62 PolarHBondContact SG-O 2.98Å; C45-V64 HydrophobicContact CB-CG2 4.23Å; C45-V93 WeakPolarHBondContact O-CA 3.4Å; C45-Y94 PolarHBondContact N-O 3.43Å; C45-Y94 PolarHBondContact O-N 3.28Å; C45-I96 HydrophobicContact CB-CD1 4.06Å; C45-I96 HydrophobicContact CB-CG1 3.65Å
46	V	94.5	Very high	83.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128	173	-177.6	0	0	0	0	109.7	V28 R61 T62 F73 F91 E92 V93 I143	V28-V46 HydrophobicContact CG2-CB 4.38Å; V28-V46 HydrophobicContact CG2-CG2 4.42Å; V46-R61 CarbonylContact O-C 3.57Å; V46-R61 VanDerWaalsContact O-CA 3.27Å; V46-R61 WeakPolarHBondContact O-CA 3.33Å; V46-T62 HydrophobicContact CB-CG2 3.81Å; V46-T62 PolarHBondContact N-OG1 3.32Å; V46-T62 PolarHBondContact O-N 3.44Å; V46-F73 HydrophobicContact CG2-CD2 4.16Å; V46-F73 HydrophobicContact CG2-CE2 3.48Å; V46-F73 VanDerWaalsContact CG2-CE2 3.48Å; V46-F73 HydrophobicContact CG2-CZ 3.71Å; V46-F91 HydrophobicContact CG1-CB 4.24Å; V46-F91 HydrophobicContact CG1-CD1 4.08Å; V46-E92 CarbonylContact C-O 3.45Å; V46-E92 WeakPolarHBondContact CA-O 3.47Å; V46-V93 HydrophobicContact CG2-CG1 4.43Å; V46-V93 HydrophobicContact CG2-CG2 4.14Å; V46-I143 HydrophobicContact CG1-CD1 4.3Å
47	V	95.9	Very high	84.6	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.6	172.6	-176.6	0	0	0	0	108.2	M49 E58 R61 F91 E92 Y94	V47-M49 HydrophobicContact CG1-CG 4.45Å; V47-M49 HydrophobicContact CG1-SD 3.68Å; V47-E58 HydrophobicContact CG1-CG 3.61Å; V47-R61 HydrophobicContact CG2-CB 4.19Å; V47-F91 WeakPolarHBondContact O-CA 3.32Å; V47-E92 PolarHBondContact N-O 3.05Å; V47-E92 PolarHBondContact O-N 3.2Å; V47-Y94 HydrophobicContact CB-CE2 4.43Å; V47-Y94 HydrophobicContact CG2-CD2 3.93Å; V47-Y94 HydrophobicContact CG2-CE2 4.07Å
48	L	96.9	Very high	86.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.4	174.3	174.9	57.6	0	0	0	109.4	L59 D60 F77 L79 L89 F91	L48-L59 HydrophobicContact CD2-CD2 3.88Å; L48-L59 HydrophobicContact CG-CB 4.42Å; L48-L59 HydrophobicContact CG-CD2 4.38Å; L48-L59 WeakPolarHBondContact O-CB 3.36Å; L48-L59 PolarHBondContact O-N 3.16Å; L48-D60 PolarHBondContact N-O 2.95Å; L48-D60 PolarHBondContact O-N 3.48Å; L48-F77 HydrophobicContact CB-CD1 4.11Å; L48-F77 HydrophobicContact CB-CE1 3.92Å; L48-F77 HydrophobicContact CB-CE2 4.35Å; L48-F77 HydrophobicContact CB-CG 4.4Å; L48-F77 HydrophobicContact CB-CZ 4.03Å; L48-F77 HydrophobicContact CD2-CB 3.66Å; L48-F77 HydrophobicContact CD2-CD1 3.9Å; L48-F77 HydrophobicContact CD2-CD2 4.02Å; L48-F77 HydrophobicContact CD2-CG 3.59Å; L48-L79 HydrophobicContact CD2-CD1 4.25Å; L48-L89 HydrophobicContact CD1-CB 4.2Å; L48-L89 HydrophobicContact CD1-CD2 4.4Å; L48-F91 HydrophobicContact CD1-CD1 3.99Å; L48-F91 HydrophobicContact CD1-CD2 4.36Å; L48-F91 HydrophobicContact CD1-CE1 3.68Å; L48-F91 HydrophobicContact CD1-CE2 4.06Å; L48-F91 HydrophobicContact CD1-CG 4.32Å; L48-F91 HydrophobicContact CD1-CZ 3.71Å; L48-F91 HydrophobicContact CD2-CE1 4.46Å; L48-F91 HydrophobicContact CG-CE1 4.48Å
49	M	96.8	Very high	87.9	Confident	26 Å²	26	61.5 Å²	61.5	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.2	174.8	-47.4	-68.1	-71.1	0	0	110	V47 W56 I57 E58 L89 R90	V47-M49 HydrophobicContact CG1-CG 4.45Å; V47-M49 HydrophobicContact CG1-SD 3.68Å; M49-W56 HydrophobicContact CB-CE3 3.83Å; M49-W56 HydrophobicContact CE-CB 4.18Å; M49-I57 CarbonylContact C-O 3.37Å; M49-I57 VanDerWaalsContact CA-O 3.26Å; M49-I57 WeakPolarHBondContact CA-O 3.46Å; M49-E58 HydrophobicContact CE-CB 4.03Å; M49-E58 VanDerWaalsContact CE-N 3.32Å; M49-E58 WeakPolarHBondContact SD-CA 3.37Å; M49-E58 HydrophobicContact SD-CB 3.56Å; M49-E58 VanDerWaalsContact SD-CB 3.56Å; M49-E58 HydrophobicContact SD-CG 4Å; M49-L89 WeakPolarHBondContact O-CA 3.5Å; M49-R90 HydrophobicContact CB-CB 4.17Å; M49-R90 PolarHBondContact N-O 2.84Å; M49-R90 PolarHBondContact O-N 2.82Å
50	V	95.6	Very high	89.5	Confident	34 Å²	34	56.9 Å²	56.9	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.2	172.5	-64.7	0	0	0	0	109.6	I57 L59 L79 L89	V50-I57 HydrophobicContact CG2-CB 4.48Å; V50-I57 PolarHBondContact N-O 3.14Å; V50-I57 PolarHBondContact O-N 3.25Å; V50-L59 HydrophobicContact CG1-CB 4.07Å; V50-L59 HydrophobicContact CG1-CD2 4.01Å; V50-L59 HydrophobicContact CG1-CG 4.46Å; V50-L59 HydrophobicContact CG2-CB 4.37Å; V50-L79 HydrophobicContact CG1-CD2 4.3Å; V50-L89 HydrophobicContact CG1-CD2 3.74Å
51	Q	92.4	Very high	90.7	Very high	66 Å²	66	54.8 Å²	54.8	31%	0.308	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.6	175.5	-163.6	173.8	46.3	0	0	110.9	G54 Q55 W56 K88	Q51-G54 PolarHBondContact NE2-O 2.94Å; Q51-G54 VanDerWaalsContact NE2-O 3.09Å; Q51-Q55 CarbonylContact C-O 3.56Å; Q51-Q55 WeakPolarHBondContact CA-O 3.44Å; Q51-W56 HydrophobicContact CB-CD2 4.28Å; Q51-W56 HydrophobicContact CB-CE3 4Å; Q51-W56 HydrophobicContact CB-CH2 4.16Å; Q51-W56 HydrophobicContact CB-CZ2 4.42Å; Q51-W56 HydrophobicContact CB-CZ3 3.92Å; Q51-K88 HydrophobicContact CB-CB 3.95Å; Q51-K88 PolarHBondContact N-O 3.33Å; Q51-K88 VanDerWaalsContact N-O 3.13Å
52	N	83.8	Confident	91.2	Very high	89 Å²	89	49.8 Å²	49.8	48%	0.476	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.9	172.2	-171.6	-1	0	0	0	109.5	G54 Q55 I57	N52-G54 PolarHBondContact O-N 3.13Å; N52-G54 VanDerWaalsContact O-N 3.15Å; N52-Q55 PolarHBondContact N-O 3.25Å; N52-Q55 PolarHBondContact O-N 3.46Å; N52-I57 HydrophobicContact CB-CD1 3.85Å
53	N	79.4	Confident	91.3	Very high	160 Å²	160	53.1 Å²	53.1	86%	0.856	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	40.5	-177.4	-64.5	-30	0	0	0	113.8	Q55	N53-Q55 PolarHBondContact O-N 3.13Å
54	G	83.1	Confident	91.3	Very high	53 Å²	53	53.9 Å²	53.9	55%	0.546	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-8.7	-179.3	0	0	0	0	0	115.2	Q51 N52	Q51-G54 PolarHBondContact NE2-O 2.94Å; Q51-G54 VanDerWaalsContact NE2-O 3.09Å; N52-G54 PolarHBondContact O-N 3.13Å; N52-G54 VanDerWaalsContact O-N 3.15Å
55	Q	90.8	Very high	90.7	Very high	143 Å²	143	55.4 Å²	55.4	67%	0.668	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.1	178.3	-63.7	-171.8	-15.3	0	0	111.5	Q51 N52 N53	Q51-Q55 CarbonylContact C-O 3.56Å; Q51-Q55 WeakPolarHBondContact CA-O 3.44Å; N52-Q55 PolarHBondContact N-O 3.25Å; N52-Q55 PolarHBondContact O-N 3.46Å; N53-Q55 PolarHBondContact O-N 3.13Å
56	W	93.9	Very high	90.3	Very high	62 Å²	62	63.5 Å²	63.5	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.1	174.1	-69	101.9	0	0	0	110.1	M49 Q51 K88 R90	M49-W56 HydrophobicContact CB-CE3 3.83Å; M49-W56 HydrophobicContact CE-CB 4.18Å; Q51-W56 HydrophobicContact CB-CD2 4.28Å; Q51-W56 HydrophobicContact CB-CE3 4Å; Q51-W56 HydrophobicContact CB-CH2 4.16Å; Q51-W56 HydrophobicContact CB-CZ2 4.42Å; Q51-W56 HydrophobicContact CB-CZ3 3.92Å; W56-K88 HydrophobicContact CH2-CB 4.04Å; W56-R90 HydrophobicContact CD2-CB 4.43Å; W56-R90 HydrophobicContact CE3-CB 3.9Å; W56-R90 HydrophobicContact CH2-CB 3.69Å; W56-R90 HydrophobicContact CZ2-CB 4.25Å; W56-R90 HydrophobicContact CZ3-CB 3.51Å
57	I	94.6	Very high	89.8	Confident	80 Å²	80	66.3 Å²	66.3	41%	0.41	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134	178.9	-55.8	176.3	0	0	0	107.4	M49 V50 N52 L59	M49-I57 CarbonylContact C-O 3.37Å; M49-I57 VanDerWaalsContact CA-O 3.26Å; M49-I57 WeakPolarHBondContact CA-O 3.46Å; V50-I57 HydrophobicContact CG2-CB 4.48Å; V50-I57 PolarHBondContact N-O 3.14Å; V50-I57 PolarHBondContact O-N 3.25Å; N52-I57 HydrophobicContact CB-CD1 3.85Å; I57-L59 PolarHBondContact O-N 2.69Å
58	E	94.6	Very high	89	Confident	76 Å²	76	68.4 Å²	68.4	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.1	172.6	-175.5	177.5	153	0	0	109.8	V47 M49 R61	V47-E58 HydrophobicContact CG1-CG 3.61Å; M49-E58 HydrophobicContact CE-CB 4.03Å; M49-E58 VanDerWaalsContact CE-N 3.32Å; M49-E58 WeakPolarHBondContact SD-CA 3.37Å; M49-E58 HydrophobicContact SD-CB 3.56Å; M49-E58 VanDerWaalsContact SD-CB 3.56Å; M49-E58 HydrophobicContact SD-CG 4Å; E58-R61 IonicContact OE1-CZ 2.87Å; E58-R61 IonicContact OE1-NE 2.71Å; E58-R61 PolarHBondContact OE1-NE 3.5Å; E58-R61 IonicContact OE1-NH2 3.89Å; E58-R61 PolarHBondContact OE1-NH2 3.37Å; E58-R61 IonicContact OE2-CZ 3.58Å; E58-R61 IonicContact OE2-NH2 3.92Å; E58-R61 PolarHBondContact OE2-NH2 2.93Å
59	L	93.1	Very high	88.5	Confident	80 Å²	80	69.9 Å²	69.9	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-52.4	173.5	-175.3	68.7	0	0	0	110.3	L48 V50 I57 L79	L48-L59 HydrophobicContact CD2-CD2 3.88Å; L48-L59 HydrophobicContact CG-CB 4.42Å; L48-L59 HydrophobicContact CG-CD2 4.38Å; L48-L59 WeakPolarHBondContact O-CB 3.36Å; L48-L59 PolarHBondContact O-N 3.16Å; V50-L59 HydrophobicContact CG1-CB 4.07Å; V50-L59 HydrophobicContact CG1-CD2 4.01Å; V50-L59 HydrophobicContact CG1-CG 4.46Å; V50-L59 HydrophobicContact CG2-CB 4.37Å; I57-L59 PolarHBondContact O-N 2.69Å; L59-L79 HydrophobicContact CD2-CD2 3.97Å; L59-L79 HydrophobicContact CD2-CG 3.95Å
60	D	92.6	Very high	88.1	Confident	60 Å²	60	73.7 Å²	73.7	32%	0.321	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	176.1	-176.5	-148.9	-33.6	0	0	0	110.5	L48 K75 F77	L48-D60 PolarHBondContact N-O 2.95Å; L48-D60 PolarHBondContact O-N 3.48Å; D60-K75 WeakPolarHBondContact OD1-CE 3.43Å; D60-K75 IonicContact OD1-NZ 3.15Å; D60-K75 PolarHBondContact OD1-NZ 3.43Å; D60-K75 VanDerWaalsContact OD1-NZ 3.12Å; D60-K75 WeakPolarHBondContact OD2-CE 3.35Å; D60-K75 IonicContact OD2-NZ 2.8Å; D60-K75 PolarHBondContact OD2-NZ 2.85Å; D60-F77 HydrophobicContact CB-CD1 3.84Å; D60-F77 HydrophobicContact CB-CE1 3.89Å
61	R	93.1	Very high	87.4	Confident	66 Å²	66	72 Å²	72	25%	0.249	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.9	177.3	63.2	-174.7	67.2	174.2	-9.5	112.8	V46 V47 E58 I102	V46-R61 CarbonylContact O-C 3.57Å; V46-R61 VanDerWaalsContact O-CA 3.27Å; V46-R61 WeakPolarHBondContact O-CA 3.33Å; V47-R61 HydrophobicContact CG2-CB 4.19Å; E58-R61 IonicContact OE1-CZ 2.87Å; E58-R61 IonicContact OE1-NE 2.71Å; E58-R61 PolarHBondContact OE1-NE 3.5Å; E58-R61 IonicContact OE1-NH2 3.89Å; E58-R61 PolarHBondContact OE1-NH2 3.37Å; E58-R61 IonicContact OE2-CZ 3.58Å; E58-R61 IonicContact OE2-NH2 3.92Å; E58-R61 PolarHBondContact OE2-NH2 2.93Å; R61-I102 PolarHBondContact NH1-O 3.36Å
62	T	89.3	Confident	86.7	Confident	6 Å²	6	75.5 Å²	75.5	4%	0.037	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-76.6	171.1	174.4	67.8	0	0	0	0	111.9	V28 C45 V46 F73 K75 F77	V28-T62 HydrophobicContact CG2-CG2 3.75Å; C45-T62 PolarHBondContact SG-O 2.98Å; V46-T62 HydrophobicContact CB-CG2 3.81Å; V46-T62 PolarHBondContact N-OG1 3.32Å; V46-T62 PolarHBondContact O-N 3.44Å; T62-F73 VanDerWaalsContact CB-CD1 3.5Å; T62-F73 HydrophobicContact CG2-CB 3.91Å; T62-F73 HydrophobicContact CG2-CD1 3.94Å; T62-F73 HydrophobicContact CG2-CD2 4.38Å; T62-F73 HydrophobicContact CG2-CG 3.82Å; T62-F73 VanDerWaalsContact OG1-CD1 3.26Å; T62-F73 WeakPolarHBondContact OG1-CD1 3.47Å; T62-F73 VanDerWaalsContact OG1-CE1 3.31Å; T62-F73 WeakPolarHBondContact OG1-CE1 3.47Å; T62-K75 HydrophobicContact CG2-CB 3.97Å; T62-K75 HydrophobicContact CG2-CG 4.29Å; T62-F77 HydrophobicContact CG2-CE2 4.06Å; T62-F77 HydrophobicContact CG2-CZ 3.65Å
63	E	87	Confident	86.6	Confident	71 Å²	71	72.1 Å²	72.1	33%	0.332	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-64.9	161.1	158.7	75.4	-74.9	-177	0	0	111.7	I65 F73 A74 K75	E63-I65 HydrophobicContact CG-CG1 4.44Å; E63-F73 WeakPolarHBondContact O-CE1 3.09Å; E63-F73 VanDerWaalsContact OE1-CA 3.29Å; E63-F73 WeakPolarHBondContact OE1-CA 3.49Å; E63-A74 PolarHBondContact OE1-N 2.7Å; E63-K75 WeakPolarHBondContact OE2-CB 3.41Å; E63-K75 PolarHBondContact OE2-N 2.9Å; E63-K75 VanDerWaalsContact OE2-N 3.14Å
64	V	87.4	Confident	86.2	Confident	54 Å²	54	68.4 Å²	68.4	33%	0.327	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-89	127	174.1	-174.2	0	0	0	0	109.3	D43 P44 C45 I96 I102	D43-V64 HydrophobicContact CB-CG1 3.91Å; D43-V64 WeakPolarHBondContact O-CG1 3.21Å; P44-V64 WeakPolarHBondContact O-CA 3.2Å; C45-V64 HydrophobicContact CB-CG2 4.23Å; V64-I96 HydrophobicContact CG1-CB 4.09Å; V64-I96 HydrophobicContact CG1-CG1 4.29Å; V64-I96 HydrophobicContact CG2-CB 4.27Å; V64-I96 HydrophobicContact CG2-CG1 4Å; V64-I96 HydrophobicContact CG2-CG2 4.36Å; V64-I102 HydrophobicContact CG2-CD1 3.81Å; V64-I102 HydrophobicContact CG2-CG1 4.2Å
65	I	78.1	Confident	86.3	Confident	32 Å²	32	68.8 Å²	68.8	16%	0.164	35%	0.349	C	S	.	.			trans	-104	115.9	176.8	-58.7	-170	0	0	0	109.3	D43 P44 E63 N68 P71 L72 F73	D43-I65 CarbonylContact C-O 3.6Å; D43-I65 WeakPolarHBondContact CA-O 3.02Å; P44-I65 WeakPolarHBondContact CD-O 3.13Å; P44-I65 PolarHBondContact O-N 3.1Å; P44-I65 VanDerWaalsContact O-N 3.09Å; E63-I65 HydrophobicContact CG-CG1 4.44Å; I65-N68 HydrophobicContact CG2-CB 3.69Å; I65-P71 HydrophobicContact CB-CB 4.23Å; I65-P71 HydrophobicContact CD1-CB 3.77Å; I65-P71 HydrophobicContact CG1-CB 4.38Å; I65-L72 WeakPolarHBondContact CD1-O 3.39Å; I65-F73 HydrophobicContact CD1-CD1 3.77Å; I65-F73 HydrophobicContact CD1-CE1 4.01Å; I65-F73 HydrophobicContact CD1-CG 4.32Å; I65-F73 HydrophobicContact CG1-CD1 3.97Å; I65-F73 HydrophobicContact CG1-CE1 3.95Å
66	K	83.9	Confident	85.9	Confident	169 Å²	169	64 Å²	64	74%	0.735	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	135.3	-175.5	-62.4	-170.1	175.5	-171.2	0	113.3	D43 N68	D43-K66 VanDerWaalsContact OD1-CA 3.27Å; D43-K66 WeakPolarHBondContact OD1-CA 3.09Å; K66-N68 PolarHBondContact O-N 3.18Å
67	S	83.8	Confident	85.7	Confident	59 Å²	59	61.2 Å²	61.2	41%	0.413	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	48.5	168.2	-57.9	0	0	0	0	113.9	K41 S42 D43	K41-S67 WeakPolarHBondContact O-CA 3.18Å; S42-S67 CarbonylContact O-C 3.57Å; S42-S67 WeakPolarHBondContact O-CA 3.31Å; S42-S67 PolarHBondContact O-N 3.25Å; D43-S67 PolarHBondContact OD1-N 3.49Å
68	N	79.1	Confident	85.5	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	33%	0.325	S	S	.	.			trans	-138	116	-172.7	-168.1	-10.9	0	0	0	112.7	S42 P44 I65 K66 H70	S42-N68 PolarHBondContact O-N 3.13Å; P44-N68 WeakPolarHBondContact CD-O 3.36Å; P44-N68 VanDerWaalsContact CG-O 3.22Å; P44-N68 WeakPolarHBondContact CG-O 3.35Å; I65-N68 HydrophobicContact CG2-CB 3.69Å; K66-N68 PolarHBondContact O-N 3.18Å; N68-H70 VanDerWaalsContact C-N 3.31Å; N68-H70 VanDerWaalsContact OD1-C 3.22Å; N68-H70 WeakPolarHBondContact OD1-CA 3.31Å; N68-H70 PolarHBondContact OD1-N 2.79Å; N68-H70 PolarHBondContact OD1-O 2.86Å
69	L	87.3	Confident	85.4	Confident	30 Å²	30	57 Å²	57	16%	0.157	31%	0.312	C	S	.	.	S	Bend	trans	-86.9	-0.8	176.5	-53.6	-179.7	0	0	0	113.7	K31 A32 L33 D35 K41 P71	K31-L69 CarbonylContact C-O 3.58Å; A32-L69 PolarHBondContact N-O 3Å; L33-L69 HydrophobicContact CB-CB 4.38Å; L33-L69 HydrophobicContact CB-CD2 4.31Å; L33-L69 PolarHBondContact N-O 2.86Å; D35-L69 HydrophobicContact CB-CD1 4.09Å; D35-L69 HydrophobicContact CB-CD2 4.3Å; K41-L69 HydrophobicContact CB-CD2 4.37Å; K41-L69 HydrophobicContact CB-CG 4.46Å; K41-L69 HydrophobicContact CD-CG 4.46Å; K41-L69 HydrophobicContact CG-CG 4.5Å; L69-P71 VanDerWaalsContact C-CD 3.44Å
70	H	86.9	Confident	85.3	Confident	106 Å²	106	56.3 Å²	56.3	49%	0.491	31%	0.309	S	S	.	.	S	Bend	trans	-132	54.9	178.9	-53.7	-86.2	0	0	0	111.5	C30 A32 N68	C30-H70 CarbonylContact O-C 3.55Å; C30-H70 VanDerWaalsContact O-C 3.3Å; C30-H70 VanDerWaalsContact O-CA 3.23Å; C30-H70 WeakPolarHBondContact O-CA 3.25Å; A32-H70 PolarHBondContact N-CE1 3.19Å; A32-H70 VanDerWaalsContact N-CE1 3.26Å; A32-H70 PolarHBondContact N-ND1 3.26Å; A32-H70 VanDerWaalsContact N-ND1 3.19Å; N68-H70 VanDerWaalsContact C-N 3.31Å; N68-H70 VanDerWaalsContact OD1-C 3.22Å; N68-H70 WeakPolarHBondContact OD1-CA 3.31Å; N68-H70 PolarHBondContact OD1-N 2.79Å; N68-H70 PolarHBondContact OD1-O 2.86Å
71	P	80.8	Confident	85.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.			trans	-66.9	138.7	-173.7	31.1	-38.7	0	0	0	112.1	S29 C30 L33 P44 I65 L69 F73	S29-P71 WeakPolarHBondContact CA-O 3.32Å; S29-P71 WeakPolarHBondContact CB-O 3.42Å; C30-P71 HydrophobicContact CB-CG 3.74Å; C30-P71 PolarHBondContact N-O 2.92Å; L33-P71 HydrophobicContact CD1-CG 3.79Å; P44-P71 HydrophobicContact CB-CG 4.06Å; P44-P71 HydrophobicContact CG-CB 3.73Å; P44-P71 HydrophobicContact CG-CG 3.59Å; I65-P71 HydrophobicContact CB-CB 4.23Å; I65-P71 HydrophobicContact CD1-CB 3.77Å; I65-P71 HydrophobicContact CG1-CB 4.38Å; L69-P71 VanDerWaalsContact C-CD 3.44Å; P71-F73 HydrophobicContact CB-CD2 4.35Å; P71-F73 HydrophobicContact CB-CE1 4Å; P71-F73 HydrophobicContact CB-CE2 3.67Å; P71-F73 HydrophobicContact CB-CZ 3.48Å; P71-F73 VanDerWaalsContact CB-CZ 3.48Å; P71-F73 HydrophobicContact CG-CE2 3.57Å; P71-F73 HydrophobicContact CG-CZ 3.53Å
72	L	78.3	Confident	85.2	Confident	138 Å²	138	53.7 Å²	53.7	72%	0.723	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	111.2	167.7	-70.3	165.2	0	0	0	106.8	I65	I65-L72 WeakPolarHBondContact CD1-O 3.39Å
73	F	81.4	Confident	85.2	Confident	19 Å²	19	53.6 Å²	53.6	8%	0.083	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.7	-173.7	-58.3	-83.6	0	0	0	111.5	V28 P44 V46 T62 E63 I65 P71	V28-F73 HydrophobicContact CG2-CB 4.16Å; V28-F73 HydrophobicContact CG2-CD2 3.85Å; V28-F73 HydrophobicContact CG2-CG 4.28Å; V28-F73 WeakPolarHBondContact O-CD2 3.33Å; V28-F73 PolarHBondContact O-N 2.98Å; P44-F73 HydrophobicContact CB-CZ 4.25Å; P44-F73 HydrophobicContact CG-CZ 4.49Å; V46-F73 HydrophobicContact CG2-CD2 4.16Å; V46-F73 HydrophobicContact CG2-CE2 3.48Å; V46-F73 VanDerWaalsContact CG2-CE2 3.48Å; V46-F73 HydrophobicContact CG2-CZ 3.71Å; T62-F73 VanDerWaalsContact CB-CD1 3.5Å; T62-F73 HydrophobicContact CG2-CB 3.91Å; T62-F73 HydrophobicContact CG2-CD1 3.94Å; T62-F73 HydrophobicContact CG2-CD2 4.38Å; T62-F73 HydrophobicContact CG2-CG 3.82Å; T62-F73 VanDerWaalsContact OG1-CD1 3.26Å; T62-F73 WeakPolarHBondContact OG1-CD1 3.47Å; T62-F73 VanDerWaalsContact OG1-CE1 3.31Å; T62-F73 WeakPolarHBondContact OG1-CE1 3.47Å; E63-F73 WeakPolarHBondContact O-CE1 3.09Å; E63-F73 VanDerWaalsContact OE1-CA 3.29Å; E63-F73 WeakPolarHBondContact OE1-CA 3.49Å; I65-F73 HydrophobicContact CD1-CD1 3.77Å; I65-F73 HydrophobicContact CD1-CE1 4.01Å; I65-F73 HydrophobicContact CD1-CG 4.32Å; I65-F73 HydrophobicContact CG1-CD1 3.97Å; I65-F73 HydrophobicContact CG1-CE1 3.95Å; P71-F73 HydrophobicContact CB-CD2 4.35Å; P71-F73 HydrophobicContact CB-CE1 4Å; P71-F73 HydrophobicContact CB-CE2 3.67Å; P71-F73 HydrophobicContact CB-CZ 3.48Å; P71-F73 VanDerWaalsContact CB-CZ 3.48Å; P71-F73 HydrophobicContact CG-CE2 3.57Å; P71-F73 HydrophobicContact CG-CZ 3.53Å
74	A	71.6	Confident	85.4	Confident	81 Å²	81	51.4 Å²	51.4	67%	0.669	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-27.5	175	0	0	0	0	0	112.1	E63 V76	E63-A74 PolarHBondContact OE1-N 2.7Å; A74-V76 PolarHBondContact O-N 2.76Å
75	K	85.2	Confident	85.5	Confident	62 Å²	62	52 Å²	52	27%	0.27	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	134.8	175.1	179.9	69.6	176.3	-170.6	0	111.5	D60 T62 E63 F77	D60-K75 WeakPolarHBondContact OD1-CE 3.43Å; D60-K75 IonicContact OD1-NZ 3.15Å; D60-K75 PolarHBondContact OD1-NZ 3.43Å; D60-K75 VanDerWaalsContact OD1-NZ 3.12Å; D60-K75 WeakPolarHBondContact OD2-CE 3.35Å; D60-K75 IonicContact OD2-NZ 2.8Å; D60-K75 PolarHBondContact OD2-NZ 2.85Å; T62-K75 HydrophobicContact CG2-CB 3.97Å; T62-K75 HydrophobicContact CG2-CG 4.29Å; E63-K75 WeakPolarHBondContact OE2-CB 3.41Å; E63-K75 PolarHBondContact OE2-N 2.9Å; E63-K75 VanDerWaalsContact OE2-N 3.14Å; K75-F77 HydrophobicContact CG-CD1 4.32Å; K75-F77 HydrophobicContact CG-CE1 3.99Å; K75-F77 HydrophobicContact CG-CZ 4.24Å
76	V	83.1	Confident	86.1	Confident	43 Å²	43	52.9 Å²	52.9	26%	0.261	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	170.9	-173.1	0	0	0	0	108.2	E25 R27 A74	E25-V76 HydrophobicContact CB-CG1 3.53Å; E25-V76 HydrophobicContact CG-CG1 3.54Å; R27-V76 HydrophobicContact CG-CG2 4.36Å; A74-V76 PolarHBondContact O-N 2.76Å
77	F	89.4	Confident	86.5	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.8	173.9	-56.4	-70.7	0	0	0	109.5	E25 L26 V28 L48 D60 T62 K75 L79	E25-F77 CarbonylContact C-O 3.54Å; E25-F77 WeakPolarHBondContact CA-O 3.31Å; L26-F77 HydrophobicContact CB-CB 4.23Å; L26-F77 PolarHBondContact N-O 2.94Å; L26-F77 PolarHBondContact O-N 3.4Å; V28-F77 HydrophobicContact CG1-CD2 4.23Å; V28-F77 HydrophobicContact CG1-CE2 3.95Å; V28-F77 HydrophobicContact CG2-CE2 3.79Å; L48-F77 HydrophobicContact CB-CD1 4.11Å; L48-F77 HydrophobicContact CB-CE1 3.92Å; L48-F77 HydrophobicContact CB-CE2 4.35Å; L48-F77 HydrophobicContact CB-CG 4.4Å; L48-F77 HydrophobicContact CB-CZ 4.03Å; L48-F77 HydrophobicContact CD2-CB 3.66Å; L48-F77 HydrophobicContact CD2-CD1 3.9Å; L48-F77 HydrophobicContact CD2-CD2 4.02Å; L48-F77 HydrophobicContact CD2-CG 3.59Å; D60-F77 HydrophobicContact CB-CD1 3.84Å; D60-F77 HydrophobicContact CB-CE1 3.89Å; T62-F77 HydrophobicContact CG2-CE2 4.06Å; T62-F77 HydrophobicContact CG2-CZ 3.65Å; K75-F77 HydrophobicContact CG-CD1 4.32Å; K75-F77 HydrophobicContact CG-CE1 3.99Å; K75-F77 HydrophobicContact CG-CZ 4.24Å; F77-L79 HydrophobicContact CB-CD1 4.18Å
78	G	89.6	Confident	87	Confident	52 Å²	52	48 Å²	48	54%	0.536	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129	173.9	0	0	0	0	0	111	V24	V24-G78 WeakPolarHBondContact O-CA 3.32Å
79	L	92.3	Very high	87.9	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.6	175.8	-61.5	96.8	0	0	0	110.8	K23 V24 L26 L48 V50 L59 F77 L89 L117	K23-L79 CarbonylContact C-O 3.47Å; K23-L79 WeakPolarHBondContact CA-O 3.36Å; V24-L79 PolarHBondContact N-O 2.65Å; V24-L79 PolarHBondContact O-N 3.06Å; L26-L79 HydrophobicContact CD1-CD1 3.5Å; L26-L79 VanDerWaalsContact CD1-CD1 3.5Å; L26-L79 HydrophobicContact CG-CD1 3.7Å; L48-L79 HydrophobicContact CD2-CD1 4.25Å; V50-L79 HydrophobicContact CG1-CD2 4.3Å; L59-L79 HydrophobicContact CD2-CD2 3.97Å; L59-L79 HydrophobicContact CD2-CG 3.95Å; F77-L79 HydrophobicContact CB-CD1 4.18Å; L79-L89 HydrophobicContact CD2-CD1 4.44Å; L79-L89 HydrophobicContact CD2-CD2 3.7Å; L79-L117 HydrophobicContact CB-CD2 4.17Å
80	D	91.4	Very high	88.3	Confident	66 Å²	66	47.1 Å²	47.1	35%	0.353	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.2	164.1	-64.4	-28	0	0	0	108.6	V21 K23 Y82 Q87	V21-D80 HydrophobicContact CG1-CB 3.66Å; K23-D80 VanDerWaalsContact CE-OD1 3.23Å; K23-D80 WeakPolarHBondContact CE-OD1 3.05Å; K23-D80 IonicContact NZ-OD1 2.61Å; D80-Y82 HydrophobicContact CB-CE2 3.66Å; D80-Q87 PolarHBondContact O-NE2 2.89Å
81	Y	91.5	Very high	88.8	Confident	7 Å²	7	42 Å²	42	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.4	179.7	170.6	-99	0	0	0	110.9	S22 V24 F83 L117 V121 F296 L297 Y352	S22-Y81 PolarHBondContact O-N 2.96Å; V24-Y81 HydrophobicContact CG2-CG 4.43Å; Y81-F83 HydrophobicContact CE1-CB 4.09Å; Y81-L117 HydrophobicContact CD2-CD2 3.98Å; Y81-L117 HydrophobicContact CD2-CG 4.14Å; Y81-V121 HydrophobicContact CD2-CG2 4.46Å; Y81-V121 HydrophobicContact CE2-CG2 3.83Å; Y81-F296 HydrophobicContact CE1-CD1 4.19Å; Y81-F296 HydrophobicContact CE1-CE1 4.24Å; Y81-F296 WeakPolarHBondContact OH-CE1 3.38Å; Y81-L297 HydrophobicContact CD1-CD1 3.68Å; Y81-L297 HydrophobicContact CD1-CD2 3.84Å; Y81-L297 HydrophobicContact CD1-CG 3.79Å; Y81-L297 HydrophobicContact CD2-CD2 4.47Å; Y81-L297 HydrophobicContact CE1-CD1 4.18Å; Y81-L297 HydrophobicContact CE1-CD2 3.47Å; Y81-L297 VanDerWaalsContact CE1-CD2 3.47Å; Y81-L297 HydrophobicContact CE1-CG 3.79Å; Y81-L297 HydrophobicContact CE2-CD2 4.17Å; Y81-L297 HydrophobicContact CG-CD1 3.95Å; Y81-L297 HydrophobicContact CG-CD2 4.31Å; Y81-L297 HydrophobicContact CG-CG 4.45Å; Y81-Y352 WeakPolarHBondContact CE2-OH 3.27Å; Y81-Y352 VanDerWaalsContact OH-CE1 3.25Å; Y81-Y352 WeakPolarHBondContact OH-CE1 3.24Å; Y81-Y352 PolarHBondContact OH-OH 2.62Å
82	Y	91.3	Very high	89.6	Confident	64 Å²	64	43.4 Å²	43.4	25%	0.251	24%	0.235	S	C	.	.			trans	-127.6	114.6	176.2	-58.3	-83.8	0	0	0	107.5	V21 D80 E84 E85 Q87	V21-Y82 HydrophobicContact CG1-CE1 4.42Å; V21-Y82 HydrophobicContact CG2-CE1 3.92Å; D80-Y82 HydrophobicContact CB-CE2 3.66Å; Y82-E84 PolarHBondContact O-N 3.34Å; Y82-E85 PolarHBondContact O-N 2.83Å; Y82-Q87 PolarHBondContact O-OE1 2.88Å
83	F	91.1	Very high	90.4	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.1	-179.8	166.8	-109.5	0	0	0	110.9	Y81 E85 F296 I306 I348 Y352 I438 L524 V527 P528	Y81-F83 HydrophobicContact CE1-CB 4.09Å; F83-E85 VanDerWaalsContact C-N 3.26Å; F83-E85 PolarHBondContact O-N 2.65Å; F83-F296 HydrophobicContact CB-CE1 4.07Å; F83-F296 AromaticContact CD2-CE1 3.5Å; F83-F296 HydrophobicContact CD2-CE1 3.5Å; F83-F296 VanDerWaalsContact CD2-CE1 3.5Å; F83-F296 AromaticContact CD2-CZ 3.51Å; F83-F296 HydrophobicContact CD2-CZ 3.51Å; F83-F296 HydrophobicContact CE2-CE1 4.19Å; F83-F296 AromaticContact CE2-CZ 3.71Å; F83-F296 HydrophobicContact CE2-CZ 3.71Å; F83-F296 AromaticContact CG-CE1 3.93Å; F83-F296 HydrophobicContact CG-CE1 3.93Å; F83-F296 HydrophobicContact CG-CZ 4.13Å; F83-F296 HydrophobicContact CZ-CZ 4.48Å; F83-I306 HydrophobicContact CE2-CD1 3.82Å; F83-I306 HydrophobicContact CZ-CD1 4.16Å; F83-I348 WeakPolarHBondContact O-CG2 3.28Å; F83-Y352 HydrophobicContact CD2-CD2 4.32Å; F83-Y352 HydrophobicContact CD2-CE1 4.37Å; F83-Y352 AromaticContact CD2-CE2 3.76Å; F83-Y352 HydrophobicContact CD2-CE2 3.76Å; F83-Y352 AromaticContact CD2-CZ 3.8Å; F83-Y352 AromaticContact CE2-CD2 3.78Å; F83-Y352 HydrophobicContact CE2-CD2 3.78Å; F83-Y352 AromaticContact CE2-CE2 3.65Å; F83-Y352 HydrophobicContact CE2-CE2 3.65Å; F83-Y352 HydrophobicContact CE2-CG 4.33Å; F83-I438 HydrophobicContact CZ-CD1 4.37Å; F83-L524 HydrophobicContact CD1-CB 4.11Å; F83-L524 HydrophobicContact CE1-CB 3.81Å; F83-L524 HydrophobicContact CE1-CD1 4.34Å; F83-L524 HydrophobicContact CE1-CD2 3.96Å; F83-L524 HydrophobicContact CE1-CG 4.25Å; F83-L524 HydrophobicContact CZ-CD2 4.37Å; F83-V527 HydrophobicContact CD1-CB 4.43Å; F83-V527 HydrophobicContact CE1-CB 3.71Å; F83-V527 HydrophobicContact CE1-CG1 3.73Å; F83-V527 HydrophobicContact CE1-CG2 4.39Å; F83-V527 HydrophobicContact CZ-CB 4.4Å; F83-V527 HydrophobicContact CZ-CG1 3.91Å; F83-P528 HydrophobicContact CB-CG 3.74Å; F83-P528 HydrophobicContact CD1-CG 3.59Å; F83-P528 HydrophobicContact CE1-CG 4.44Å; F83-P528 HydrophobicContact CG-CG 3.81Å
84	E	89.9	Confident	90.9	Very high	26 Å²	26	38.4 Å²	38.4	12%	0.121	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.6	-172.8	74.8	-74.1	-176.7	0	0	114.4	Y82 I348 K521 L524	Y82-E84 PolarHBondContact O-N 3.34Å; E84-I348 VanDerWaalsContact O-CD1 3.27Å; E84-I348 WeakPolarHBondContact O-CD1 3.32Å; E84-K521 HydrophobicContact CG-CB 4Å; E84-K521 HydrophobicContact CG-CD 4.5Å; E84-K521 HydrophobicContact CG-CG 3.75Å; E84-K521 IonicContact OE1-NZ 3.53Å; E84-L524 HydrophobicContact CB-CB 3.81Å
85	E	89.1	Confident	91.8	Very high	66 Å²	66	34.6 Å²	34.6	31%	0.308	18%	0.175	S	C	.	.	S	Bend	trans	-129.7	138.6	179.9	-60.2	-172.4	-175.3	0	0	112.9	Y82 F83 Q87 K521	Y82-E85 PolarHBondContact O-N 2.83Å; F83-E85 VanDerWaalsContact C-N 3.26Å; F83-E85 PolarHBondContact O-N 2.65Å; E85-Q87 HydrophobicContact CB-CG 4.09Å; E85-Q87 PolarHBondContact O-N 2.63Å; E85-K521 IonicContact OE1-NZ 3.91Å; E85-K521 PolarHBondContact OE1-NZ 3.33Å
86	V	90.5	Very high	91.8	Very high	50 Å²	50	32 Å²	32	30%	0.303	16%	0.164	S	C	.	.			trans	-79	85.5	169.6	-172.3	0	0	0	0	109.5	K88 T116 E347 I348	V86-K88 HydrophobicContact CG1-CG 4.15Å; V86-K88 PolarHBondContact O-N 2.95Å; V86-K88 VanDerWaalsContact O-N 3.12Å; V86-T116 HydrophobicContact CG1-CG2 3.76Å; V86-E347 HydrophobicContact CG2-CB 4.31Å; V86-I348 HydrophobicContact CG2-CD1 4.36Å; V86-I348 HydrophobicContact CG2-CG1 3.41Å; V86-I348 VanDerWaalsContact CG2-CG1 3.41Å
87	Q	92.6	Very high	91.4	Very high	33 Å²	33	33 Å²	33	15%	0.154	17%	0.166	C	C	.	.			trans	-80.9	90.8	-179.3	-60.7	178.1	-93.2	0	0	111.4	D80 Y82 E85 T116 L117	D80-Q87 PolarHBondContact O-NE2 2.89Å; Y82-Q87 PolarHBondContact O-OE1 2.88Å; E85-Q87 HydrophobicContact CB-CG 4.09Å; E85-Q87 PolarHBondContact O-N 2.63Å; Q87-T116 CarbonylContact O-C 3.56Å; Q87-T116 VanDerWaalsContact O-CA 3.27Å; Q87-T116 WeakPolarHBondContact O-CA 3.48Å; Q87-L117 HydrophobicContact CB-CB 3.95Å; Q87-L117 PolarHBondContact O-N 2.99Å
88	K	95.4	Very high	90.2	Very high	93 Å²	93	36 Å²	36	40%	0.404	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	-178.5	-72.9	169.9	178.3	175.8	0	112.5	Q51 W56 V86 T116	Q51-K88 HydrophobicContact CB-CB 3.95Å; Q51-K88 PolarHBondContact N-O 3.33Å; Q51-K88 VanDerWaalsContact N-O 3.13Å; W56-K88 HydrophobicContact CH2-CB 4.04Å; V86-K88 HydrophobicContact CG1-CG 4.15Å; V86-K88 PolarHBondContact O-N 2.95Å; V86-K88 VanDerWaalsContact O-N 3.12Å; K88-T116 HydrophobicContact CG-CG2 4.36Å
89	L	97.2	Very high	88.3	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.9	179.8	-54.7	-178.3	0	0	0	110.2	L26 L48 M49 V50 L79 F91 E114 C115 L117 I120	L26-L89 HydrophobicContact CD1-CD1 3.99Å; L48-L89 HydrophobicContact CD1-CB 4.2Å; L48-L89 HydrophobicContact CD1-CD2 4.4Å; M49-L89 WeakPolarHBondContact O-CA 3.5Å; V50-L89 HydrophobicContact CG1-CD2 3.74Å; L79-L89 HydrophobicContact CD2-CD1 4.44Å; L79-L89 HydrophobicContact CD2-CD2 3.7Å; L89-F91 HydrophobicContact CB-CE2 4.04Å; L89-F91 HydrophobicContact CD1-CE2 4.34Å; L89-F91 HydrophobicContact CD1-CZ 4.38Å; L89-E114 WeakPolarHBondContact O-CA 3.48Å; L89-C115 PolarHBondContact N-O 3.11Å; L89-C115 PolarHBondContact O-N 2.92Å; L89-C115 VanDerWaalsContact O-O 3.06Å; L89-L117 HydrophobicContact CD1-CB 4.07Å; L89-L117 HydrophobicContact CD1-CD1 4.17Å; L89-I120 HydrophobicContact CD1-CD1 3.72Å
90	R	96.9	Very high	86.2	Confident	59 Å²	59	46.3 Å²	46.3	22%	0.223	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	168.8	-177.3	-167.7	-68.2	175.4	-5.1	109.6	M49 W56 E92 M113 E114	M49-R90 HydrophobicContact CB-CB 4.17Å; M49-R90 PolarHBondContact N-O 2.84Å; M49-R90 PolarHBondContact O-N 2.82Å; W56-R90 HydrophobicContact CD2-CB 4.43Å; W56-R90 HydrophobicContact CE3-CB 3.9Å; W56-R90 HydrophobicContact CH2-CB 3.69Å; W56-R90 HydrophobicContact CZ2-CB 4.25Å; W56-R90 HydrophobicContact CZ3-CB 3.51Å; R90-E92 WeakPolarHBondContact CD-OE1 3.24Å; R90-E92 HydrophobicContact CG-CG 3.93Å; R90-E92 IonicContact CZ-OE1 3.58Å; R90-E92 IonicContact NE-OE1 3.06Å; R90-E92 IonicContact NH1-OE1 3.77Å; R90-E92 PolarHBondContact NH1-OE1 2.85Å; R90-M113 CarbonylContact C-O 3.55Å; R90-M113 VanDerWaalsContact CA-O 3.32Å; R90-M113 WeakPolarHBondContact CA-O 3.35Å; R90-E114 HydrophobicContact CB-CG 4.01Å; R90-E114 HydrophobicContact CG-CG 3.81Å; R90-E114 IonicContact CZ-OE1 3.96Å; R90-E114 IonicContact NE-OE1 2.68Å; R90-E114 PolarHBondContact NE-OE1 2.87Å; R90-E114 IonicContact NH2-OE1 3.51Å; R90-E114 PolarHBondContact NH2-OE1 2.88Å
91	F	97.4	Very high	84.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.4	173.5	-60.9	-99.3	0	0	0	108.1	L26 V28 V46 V47 L48 L89 G112 M113 I120 I143 V145	L26-F91 HydrophobicContact CD1-CZ 4.05Å; V28-F91 HydrophobicContact CG1-CD1 4.08Å; V28-F91 HydrophobicContact CG1-CE1 3.75Å; V46-F91 HydrophobicContact CG1-CB 4.24Å; V46-F91 HydrophobicContact CG1-CD1 4.08Å; V47-F91 WeakPolarHBondContact O-CA 3.32Å; L48-F91 HydrophobicContact CD1-CD1 3.99Å; L48-F91 HydrophobicContact CD1-CD2 4.36Å; L48-F91 HydrophobicContact CD1-CE1 3.68Å; L48-F91 HydrophobicContact CD1-CE2 4.06Å; L48-F91 HydrophobicContact CD1-CG 4.32Å; L48-F91 HydrophobicContact CD1-CZ 3.71Å; L48-F91 HydrophobicContact CD2-CE1 4.46Å; L48-F91 HydrophobicContact CG-CE1 4.48Å; L89-F91 HydrophobicContact CB-CE2 4.04Å; L89-F91 HydrophobicContact CD1-CE2 4.34Å; L89-F91 HydrophobicContact CD1-CZ 4.38Å; F91-G112 CarbonylContact O-C 3.52Å; F91-G112 WeakPolarHBondContact O-CA 3.39Å; F91-M113 HydrophobicContact CB-CG 3.85Å; F91-M113 HydrophobicContact CD2-CE 4.08Å; F91-M113 HydrophobicContact CD2-CG 3.94Å; F91-M113 HydrophobicContact CD2-SD 4.22Å; F91-M113 HydrophobicContact CE2-CE 4.35Å; F91-M113 HydrophobicContact CG-CG 4.27Å; F91-M113 PolarHBondContact N-O 2.75Å; F91-M113 PolarHBondContact O-N 2.95Å; F91-I120 HydrophobicContact CE2-CD1 4.15Å; F91-I120 HydrophobicContact CZ-CD1 4.18Å; F91-I143 HydrophobicContact CB-CD1 3.76Å; F91-I143 HydrophobicContact CD1-CD1 4.22Å; F91-I143 HydrophobicContact CG-CD1 4.13Å; F91-V145 HydrophobicContact CE1-CG1 4.37Å; F91-V145 HydrophobicContact CE1-CG2 4.18Å; F91-V145 HydrophobicContact CE2-CG2 4.24Å; F91-V145 HydrophobicContact CZ-CG1 4.03Å; F91-V145 HydrophobicContact CZ-CG2 4.03Å
92	E	96.3	Very high	82.4	Confident	28 Å²	28	49.1 Å²	49.1	13%	0.131	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.8	178.7	-64.4	-176.4	166.8	0	0	109.2	V46 V47 R90 Y94 F109	V46-E92 CarbonylContact C-O 3.45Å; V46-E92 WeakPolarHBondContact CA-O 3.47Å; V47-E92 PolarHBondContact N-O 3.05Å; V47-E92 PolarHBondContact O-N 3.2Å; R90-E92 WeakPolarHBondContact CD-OE1 3.24Å; R90-E92 HydrophobicContact CG-CG 3.93Å; R90-E92 IonicContact CZ-OE1 3.58Å; R90-E92 IonicContact NE-OE1 3.06Å; R90-E92 IonicContact NH1-OE1 3.77Å; R90-E92 PolarHBondContact NH1-OE1 2.85Å; E92-Y94 HydrophobicContact CB-CD2 4.3Å; E92-Y94 HydrophobicContact CB-CE2 3.54Å; E92-Y94 PolarHBondContact OE2-OH 2.93Å; E92-F109 HydrophobicContact CB-CE2 4.01Å; E92-F109 HydrophobicContact CG-CE2 4.18Å
93	V	94.8	Very high	80.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.1	-178.5	-166.8	0	0	0	0	109.2	L33 P44 C45 V46 L110 G111 L130	L33-V93 HydrophobicContact CD1-CG1 4.21Å; L33-V93 HydrophobicContact CD2-CG1 4.2Å; P44-V93 HydrophobicContact CB-CG1 4.41Å; C45-V93 WeakPolarHBondContact O-CA 3.4Å; V46-V93 HydrophobicContact CG2-CG1 4.43Å; V46-V93 HydrophobicContact CG2-CG2 4.14Å; V93-L110 HydrophobicContact CB-CB 4.33Å; V93-L110 HydrophobicContact CG1-CB 4.28Å; V93-L110 HydrophobicContact CG1-CD1 4.22Å; V93-L110 PolarHBondContact O-N 2.84Å; V93-G111 WeakPolarHBondContact CB-O 3.49Å; V93-G111 PolarHBondContact N-O 2.82Å; V93-G111 PolarHBondContact O-N 3.43Å; V93-L130 HydrophobicContact CB-CD1 4.31Å; V93-L130 HydrophobicContact CG2-CD1 3.72Å; V93-L130 HydrophobicContact CG2-CD2 3.85Å; V93-L130 HydrophobicContact CG2-CG 4.48Å
94	Y	92.2	Very high	78.6	Confident	52 Å²	52	51.6 Å²	51.6	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.8	-178.4	-68.6	-89	0	0	0	111	P44 C45 V47 E92 D107 D108 F109	P44-Y94 CarbonylContact C-O 3.55Å; P44-Y94 VanDerWaalsContact CA-O 3.25Å; P44-Y94 WeakPolarHBondContact CA-O 3.35Å; C45-Y94 PolarHBondContact N-O 3.43Å; C45-Y94 PolarHBondContact O-N 3.28Å; V47-Y94 HydrophobicContact CB-CE2 4.43Å; V47-Y94 HydrophobicContact CG2-CD2 3.93Å; V47-Y94 HydrophobicContact CG2-CE2 4.07Å; E92-Y94 HydrophobicContact CB-CD2 4.3Å; E92-Y94 HydrophobicContact CB-CE2 3.54Å; E92-Y94 PolarHBondContact OE2-OH 2.93Å; Y94-D107 HydrophobicContact CD1-CB 4.2Å; Y94-D108 CarbonylContact C-O 3.6Å; Y94-D108 WeakPolarHBondContact CA-O 3.46Å; Y94-F109 HydrophobicContact CD1-CB 4.35Å; Y94-F109 HydrophobicContact CD1-CD2 4.34Å; Y94-F109 HydrophobicContact CE1-CB 4.11Å; Y94-F109 AromaticContact CE1-CD2 3.85Å; Y94-F109 HydrophobicContact CE1-CD2 3.85Å; Y94-F109 HydrophobicContact CE1-CG 4.48Å; Y94-F109 HydrophobicContact CE2-CD2 4.4Å; Y94-F109 AromaticContact CZ-CD2 3.88Å
95	D	90.4	Very high	76.9	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.3	164.6	-167.1	1.4	0	0	0	108.6	S42 D43 D107 D108 L110	S42-D95 VanDerWaalsContact CA-OD1 3.31Å; S42-D95 WeakPolarHBondContact CA-OD1 3.13Å; S42-D95 WeakPolarHBondContact CA-OD2 3.03Å; S42-D95 WeakPolarHBondContact CB-OD2 3.25Å; S42-D95 PolarHBondContact OG-OD2 2.9Å; D43-D95 PolarHBondContact N-OD1 3.38Å; D95-D107 WeakPolarHBondContact O-CA 3.4Å; D95-D108 HydrophobicContact CB-CB 3.73Å; D95-D108 PolarHBondContact N-O 2.79Å; D95-D108 PolarHBondContact O-N 2.79Å; D95-L110 HydrophobicContact CB-CD1 3.95Å; D95-L110 HydrophobicContact CB-CD2 3.95Å; D95-L110 HydrophobicContact CB-CG 3.92Å
96	I	85.3	Confident	75.6	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.041	35%	0.352	C	S	.	.			trans	-99	117.6	-169.5	-54.7	-58.1	0	0	0	110.3	D43 C45 V64 I102 D107	D43-I96 PolarHBondContact O-N 2.92Å; C45-I96 HydrophobicContact CB-CD1 4.06Å; C45-I96 HydrophobicContact CB-CG1 3.65Å; V64-I96 HydrophobicContact CG1-CB 4.09Å; V64-I96 HydrophobicContact CG1-CG1 4.29Å; V64-I96 HydrophobicContact CG2-CB 4.27Å; V64-I96 HydrophobicContact CG2-CG1 4Å; V64-I96 HydrophobicContact CG2-CG2 4.36Å; I96-I102 HydrophobicContact CD1-CB 4.32Å; I96-I102 HydrophobicContact CD1-CG1 4.01Å; I96-I102 HydrophobicContact CD1-CG2 3.89Å; I96-I102 HydrophobicContact CG1-CG1 4.15Å; I96-I102 HydrophobicContact CG2-CG1 4.08Å; I96-D107 HydrophobicContact CD1-CB 4.13Å
97	H	74.9	Confident	75	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.301	34%	0.343	S	S	.	.			trans	-99.5	104	-178.1	-67.3	-69	0	0	0	111.4	D37 D106 D108	D37-H97 IonicContact OD1-CE1 3.43Å; D37-H97 IonicContact OD2-CE1 3.94Å; D37-H97 PolarHBondContact OD2-CE1 2.95Å; D37-H97 IonicContact OD2-ND1 3.75Å; H97-D106 PolarHBondContact CD2-O 3.36Å; H97-D106 VanDerWaalsContact CD2-O 3.24Å; H97-D108 IonicContact NE2-OD2 3.83Å; H97-D108 PolarHBondContact NE2-OD2 2.84Å
98	G	63.3	Low	74.7	Confident	65 Å²	65	64.2 Å²	64.2	67%	0.67	35%	0.349	S	S	*	.	S	Bend	trans	101.4	-170.8	168.1	0	0	0	0	0	117.3
99	T	51.2	Low	74.5	Confident	136 Å²	136	60.9 Å²	60.9	83%	0.834	33%	0.334	S	S	*	.	S	Bend	trans	-95	7.7	-170.8	53.2	0	0	0	0	114.8
100	H	47.7	Very low	74.3	Confident	147 Å²	147	60.7 Å²	60.7	68%	0.681	33%	0.333	S	S	*	.	S	Bend	trans	-110.3	154	-179	-68.7	-65.3	0	0	0	111.7	I102	H100-I102 PolarHBondContact O-N 2.86Å
101	S	51.8	Low	74.2	Confident	94 Å²	94	57.9 Å²	57.9	66%	0.657	32%	0.323	S	S	*	.			trans	-39.6	124.2	-171.4	43.8	0	0	0	0	115.1
102	I	51.5	Low	74.1	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.195	33%	0.328	C	S	.	.	S	Bend	trans	-45.8	132.9	170.4	-63.3	155.1	0	0	0	110.8	R61 V64 I96 H100	R61-I102 PolarHBondContact NH1-O 3.36Å; V64-I102 HydrophobicContact CG2-CD1 3.81Å; V64-I102 HydrophobicContact CG2-CG1 4.2Å; I96-I102 HydrophobicContact CD1-CB 4.32Å; I96-I102 HydrophobicContact CD1-CG1 4.01Å; I96-I102 HydrophobicContact CD1-CG2 3.89Å; I96-I102 HydrophobicContact CG1-CG1 4.15Å; I96-I102 HydrophobicContact CG2-CG1 4.08Å; H100-I102 PolarHBondContact O-N 2.86Å
103	G	50.7	Low	74.1	Confident	65 Å²	65	57.3 Å²	57.3	67%	0.67	32%	0.323	S	S	*	.	S	Bend	trans	107.7	11.6	-177.7	0	0	0	0	0	114.7	D107	G103-D107 PolarHBondContact N-OD2 2.76Å
104	T	52.2	Low	74.1	Confident	55 Å²	55	62.4 Å²	62.4	34%	0.337	35%	0.347	S	S	.	.	S	Bend	trans	-78	161.1	173.7	42.8	0	0	0	0	111.9	D106 D107	T104-D106 PolarHBondContact O-N 2.95Å; T104-D107 PolarHBondContact N-OD2 3.35Å; T104-D107 PolarHBondContact O-N 2.89Å
105	R	54.2	Low	74.3	Confident	253 Å²	253	60.4 Å²	60.4	96%	0.955	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-12.7	177.7	-88.4	-178.6	163.9	171.7	-4.2	114.7
106	D	60.9	Low	74.5	Confident	116 Å²	116	61 Å²	61	62%	0.62	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-9.8	-174.6	-56.8	-34.5	0	0	0	113.1	H97 T104	H97-D106 PolarHBondContact CD2-O 3.36Å; H97-D106 VanDerWaalsContact CD2-O 3.24Å; T104-D106 PolarHBondContact O-N 2.95Å
107	D	78.1	Confident	75	Confident	20 Å²	20	60.6 Å²	60.6	11%	0.107	34%	0.341	C	S	.	.			trans	-77	134.3	-179.5	-63.5	-24.2	0	0	0	112.2	Y94 D95 I96 G103 T104	Y94-D107 HydrophobicContact CD1-CB 4.2Å; D95-D107 WeakPolarHBondContact O-CA 3.4Å; I96-D107 HydrophobicContact CD1-CB 4.13Å; G103-D107 PolarHBondContact N-OD2 2.76Å; T104-D107 PolarHBondContact N-OD2 3.35Å; T104-D107 PolarHBondContact O-N 2.89Å
108	D	87.4	Confident	75.9	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.2	-170.2	-112.5	-42.9	0	0	0	111.5	R36 Y94 D95 H97 L110	R36-D108 IonicContact CZ-OD1 2.77Å; R36-D108 IonicContact NH1-OD1 2.7Å; R36-D108 PolarHBondContact NH1-OD1 3.01Å; Y94-D108 CarbonylContact C-O 3.6Å; Y94-D108 WeakPolarHBondContact CA-O 3.46Å; D95-D108 HydrophobicContact CB-CB 3.73Å; D95-D108 PolarHBondContact N-O 2.79Å; D95-D108 PolarHBondContact O-N 2.79Å; H97-D108 IonicContact NE2-OD2 3.83Å; H97-D108 PolarHBondContact NE2-OD2 2.84Å; D108-L110 PolarHBondContact O-N 3.27Å; D108-L110 VanDerWaalsContact O-N 3.1Å
109	F	91	Very high	77.3	Confident	23 Å²	23	56.2 Å²	56.2	10%	0.101	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	109.1	-179.8	-178.5	-109.9	0	0	0	111.9	R36 E92 Y94 G111 K133	R36-F109 PolarHBondContact NH1-O 2.88Å; R36-F109 PolarHBondContact NH2-O 2.96Å; E92-F109 HydrophobicContact CB-CE2 4.01Å; E92-F109 HydrophobicContact CG-CE2 4.18Å; Y94-F109 HydrophobicContact CD1-CB 4.35Å; Y94-F109 HydrophobicContact CD1-CD2 4.34Å; Y94-F109 HydrophobicContact CE1-CB 4.11Å; Y94-F109 AromaticContact CE1-CD2 3.85Å; Y94-F109 HydrophobicContact CE1-CD2 3.85Å; Y94-F109 HydrophobicContact CE1-CG 4.48Å; Y94-F109 HydrophobicContact CE2-CD2 4.4Å; Y94-F109 AromaticContact CZ-CD2 3.88Å; F109-G111 WeakPolarHBondContact CE2-O 3.22Å; F109-K133 HydrophobicContact CD1-CG 3.87Å; F109-K133 HydrophobicContact CE1-CG 3.89Å
110	L	91.9	Very high	79.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-26.9	-179.1	-62.7	-178.5	0	0	0	112.6	L33 L34 R36 V93 D95 D108 A138	L33-L110 HydrophobicContact CB-CD1 4.47Å; L33-L110 HydrophobicContact CD1-CD1 4.2Å; L34-L110 HydrophobicContact CB-CD2 4.32Å; R36-L110 HydrophobicContact CG-CD2 4.21Å; V93-L110 HydrophobicContact CB-CB 4.33Å; V93-L110 HydrophobicContact CG1-CB 4.28Å; V93-L110 HydrophobicContact CG1-CD1 4.22Å; V93-L110 PolarHBondContact O-N 2.84Å; D95-L110 HydrophobicContact CB-CD1 3.95Å; D95-L110 HydrophobicContact CB-CD2 3.95Å; D95-L110 HydrophobicContact CB-CG 3.92Å; D108-L110 PolarHBondContact O-N 3.27Å; D108-L110 VanDerWaalsContact O-N 3.1Å; L110-A138 VanDerWaalsContact O-CB 3.26Å; L110-A138 WeakPolarHBondContact O-CB 3.12Å
111	G	94.7	Very high	81.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.8	170.5	174.4	0	0	0	0	0	112.2	V93 F109 L131	V93-G111 WeakPolarHBondContact CB-O 3.49Å; V93-G111 PolarHBondContact N-O 2.82Å; V93-G111 PolarHBondContact O-N 3.43Å; F109-G111 WeakPolarHBondContact CE2-O 3.22Å; G111-L131 CarbonylContact C-O 3.51Å; G111-L131 WeakPolarHBondContact CA-O 3.4Å
112	G	95.6	Very high	83.4	Confident	10 Å²	10	39.6 Å²	39.6	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.6	177.1	0	0	0	0	0	113.3	F91 L131	F91-G112 CarbonylContact O-C 3.52Å; F91-G112 WeakPolarHBondContact O-CA 3.39Å; G112-L131 PolarHBondContact N-O 2.82Å; G112-L131 PolarHBondContact O-N 2.97Å
113	M	95.6	Very high	85.1	Confident	6 Å²	6	43 Å²	43	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.3	170.6	66.7	165.7	-89.3	0	0	110.5	R90 F91 C115 M126 K128 I143 V145	R90-M113 CarbonylContact C-O 3.55Å; R90-M113 VanDerWaalsContact CA-O 3.32Å; R90-M113 WeakPolarHBondContact CA-O 3.35Å; F91-M113 HydrophobicContact CB-CG 3.85Å; F91-M113 HydrophobicContact CD2-CE 4.08Å; F91-M113 HydrophobicContact CD2-CG 3.94Å; F91-M113 HydrophobicContact CD2-SD 4.22Å; F91-M113 HydrophobicContact CE2-CE 4.35Å; F91-M113 HydrophobicContact CG-CG 4.27Å; F91-M113 PolarHBondContact N-O 2.75Å; F91-M113 PolarHBondContact O-N 2.95Å; M113-C115 HydrophobicContact CE-CB 3.81Å; M113-C115 WeakPolarHBondContact CE-SG 3.29Å; M113-M126 HydrophobicContact CE-SD 3.88Å; M113-K128 HydrophobicContact CE-CB 4.41Å; M113-K128 HydrophobicContact CE-CD 4.28Å; M113-K128 HydrophobicContact CE-CG 4.49Å; M113-K128 HydrophobicContact SD-CB 3.97Å; M113-I143 HydrophobicContact CB-CG2 4.25Å; M113-I143 HydrophobicContact CG-CG2 3.69Å; M113-I143 HydrophobicContact SD-CB 4.45Å; M113-I143 HydrophobicContact SD-CG2 3.22Å; M113-I143 WeakPolarHBondContact SD-CG2 3.22Å; M113-V145 HydrophobicContact SD-CG2 4.32Å
114	E	95.7	Very high	86.8	Confident	107 Å²	107	42.6 Å²	42.6	50%	0.5	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.1	168.7	-67	-174.9	-178.3	0	0	109.9	L89 R90	L89-E114 WeakPolarHBondContact O-CA 3.48Å; R90-E114 HydrophobicContact CB-CG 4.01Å; R90-E114 HydrophobicContact CG-CG 3.81Å; R90-E114 IonicContact CZ-OE1 3.96Å; R90-E114 IonicContact NE-OE1 2.68Å; R90-E114 PolarHBondContact NE-OE1 2.87Å; R90-E114 IonicContact NH2-OE1 3.51Å; R90-E114 PolarHBondContact NH2-OE1 2.88Å
115	C	95.4	Very high	88.5	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-177.6	172.7	63.3	0	0	0	0	110	L89 M113 M126	L89-C115 PolarHBondContact N-O 3.11Å; L89-C115 PolarHBondContact O-N 2.92Å; L89-C115 VanDerWaalsContact O-O 3.06Å; M113-C115 HydrophobicContact CE-CB 3.81Å; M113-C115 WeakPolarHBondContact CE-SG 3.29Å; C115-M126 HydrophobicContact CB-CE 4.39Å; C115-M126 HydrophobicContact CB-SD 4.12Å
116	T	95.3	Very high	90.2	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.08	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	156.3	167.5	64.4	0	0	0	0	110	V86 Q87 K88 G118 Q119 I120 D351	V86-T116 HydrophobicContact CG1-CG2 3.76Å; Q87-T116 CarbonylContact O-C 3.56Å; Q87-T116 VanDerWaalsContact O-CA 3.27Å; Q87-T116 WeakPolarHBondContact O-CA 3.48Å; K88-T116 HydrophobicContact CG-CG2 4.36Å; T116-G118 PolarHBondContact O-N 3.07Å; T116-Q119 PolarHBondContact O-N 2.91Å; T116-Q119 VanDerWaalsContact OG1-CG 3.23Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.42Å; T116-Q119 PolarHBondContact OG1-N 3.47Å; T116-Q119 VanDerWaalsContact OG1-N 3.17Å; T116-I120 PolarHBondContact O-N 2.76Å; T116-D351 WeakPolarHBondContact CB-OD2 3.38Å; T116-D351 WeakPolarHBondContact CG2-OD2 3.23Å; T116-D351 PolarHBondContact OG1-OD2 3.38Å
117	L	95.3	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-38.3	171.9	-175.6	57	0	0	0	111.1	V24 L26 L79 Y81 Q87 L89 Q119 I120 V121	V24-L117 HydrophobicContact CG1-CD1 4.33Å; L26-L117 HydrophobicContact CD1-CD1 4.21Å; L26-L117 HydrophobicContact CD2-CD1 4.15Å; L79-L117 HydrophobicContact CB-CD2 4.17Å; Y81-L117 HydrophobicContact CD2-CD2 3.98Å; Y81-L117 HydrophobicContact CD2-CG 4.14Å; Q87-L117 HydrophobicContact CB-CB 3.95Å; Q87-L117 PolarHBondContact O-N 2.99Å; L89-L117 HydrophobicContact CD1-CB 4.07Å; L89-L117 HydrophobicContact CD1-CD1 4.17Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.41Å; L117-I120 PolarHBondContact O-N 3.32Å; L117-V121 HydrophobicContact CD1-CG1 4.2Å; L117-V121 HydrophobicContact CG-CG1 4.36Å; L117-V121 PolarHBondContact O-N 3.23Å
118	G	93.8	Very high	92.6	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-51	-48.5	173.9	0	0	0	0	0	113	T116 I120 V121 A122	T116-G118 PolarHBondContact O-N 3.07Å; G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 2.82Å; G118-V121 VanDerWaalsContact O-CG2 3.25Å; G118-V121 WeakPolarHBondContact O-CG2 3.21Å; G118-V121 PolarHBondContact O-N 2.87Å; G118-A122 WeakPolarHBondContact O-CB 3.27Å; G118-A122 PolarHBondContact O-N 2.8Å
119	Q	94	Very high	93.1	Very high	34 Å²	34	33.6 Å²	33.6	16%	0.159	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-35.8	177.7	-70.4	168.8	-2.9	0	0	113.2	T116 L117 Q123 M126 D351	T116-Q119 PolarHBondContact O-N 2.91Å; T116-Q119 VanDerWaalsContact OG1-CG 3.23Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.42Å; T116-Q119 PolarHBondContact OG1-N 3.47Å; T116-Q119 VanDerWaalsContact OG1-N 3.17Å; L117-Q119 VanDerWaalsContact C-N 3.34Å; L117-Q119 PolarHBondContact O-N 3.41Å; Q119-Q123 WeakPolarHBondContact O-CB 3.33Å; Q119-Q123 WeakPolarHBondContact O-CG 3.34Å; Q119-Q123 PolarHBondContact O-N 2.98Å; Q119-M126 VanDerWaalsContact C-CE 3.41Å; Q119-M126 HydrophobicContact CB-CE 3.37Å; Q119-M126 WeakPolarHBondContact O-CE 3.45Å; Q119-D351 HydrophobicContact CG-CB 4.04Å; Q119-D351 VanDerWaalsContact CG-CG 3.49Å; Q119-D351 WeakPolarHBondContact CG-OD1 3.27Å; Q119-D351 PolarHBondContact NE2-OD1 3.47Å
120	I	93.9	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.9	-45.9	179.8	-54.5	172.3	0	0	0	110	L26 L89 F91 T116 L117 G118 Q123 K124 M126 V145 A147	L26-I120 HydrophobicContact CD1-CD1 4.04Å; L26-I120 HydrophobicContact CD2-CG2 3.99Å; L89-I120 HydrophobicContact CD1-CD1 3.72Å; F91-I120 HydrophobicContact CE2-CD1 4.15Å; F91-I120 HydrophobicContact CZ-CD1 4.18Å; T116-I120 PolarHBondContact O-N 2.76Å; L117-I120 PolarHBondContact O-N 3.32Å; G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 2.82Å; I120-Q123 PolarHBondContact O-N 3.16Å; I120-K124 WeakPolarHBondContact O-CA 3.27Å; I120-K124 PolarHBondContact O-N 3.12Å; I120-M126 HydrophobicContact CB-CE 4.44Å; I120-M126 HydrophobicContact CG1-CE 3.85Å; I120-M126 HydrophobicContact CG1-SD 4.43Å; I120-V145 HydrophobicContact CD1-CG1 4.08Å; I120-V145 HydrophobicContact CG2-CB 4.45Å; I120-V145 HydrophobicContact CG2-CG1 4.01Å; I120-A147 HydrophobicContact CG2-CB 3.76Å
121	V	92.8	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-35.8	-178.6	-58.9	0	0	0	0	112.2	V24 Y81 L117 G118 Q123 K124 A147 L297 I300 M301 Y352	V24-V121 HydrophobicContact CG1-CG1 4.08Å; V24-V121 HydrophobicContact CG2-CG1 4.01Å; Y81-V121 HydrophobicContact CD2-CG2 4.46Å; Y81-V121 HydrophobicContact CE2-CG2 3.83Å; L117-V121 HydrophobicContact CD1-CG1 4.2Å; L117-V121 HydrophobicContact CG-CG1 4.36Å; L117-V121 PolarHBondContact O-N 3.23Å; G118-V121 VanDerWaalsContact O-CG2 3.25Å; G118-V121 WeakPolarHBondContact O-CG2 3.21Å; G118-V121 PolarHBondContact O-N 2.87Å; V121-Q123 VanDerWaalsContact C-N 3.34Å; V121-Q123 PolarHBondContact O-N 3.08Å; V121-K124 PolarHBondContact O-N 2.84Å; V121-A147 HydrophobicContact CG1-CB 4.44Å; V121-L297 HydrophobicContact CB-CD2 4.01Å; V121-L297 HydrophobicContact CG1-CD2 4.35Å; V121-L297 HydrophobicContact CG2-CD2 3.91Å; V121-I300 HydrophobicContact CG2-CG2 4.42Å; V121-M301 HydrophobicContact CB-CE 3.84Å; V121-M301 HydrophobicContact CB-CG 4.49Å; V121-M301 HydrophobicContact CG1-CE 3.65Å; V121-M301 WeakPolarHBondContact O-CG 3.43Å; V121-Y352 HydrophobicContact CG2-CE1 4.09Å
122	A	91.3	Very high	93.4	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-34.9	176.1	0	0	0	0	0	112.8	G118 I300 D351 Y352	G118-A122 WeakPolarHBondContact O-CB 3.27Å; G118-A122 PolarHBondContact O-N 2.8Å; A122-I300 HydrophobicContact CB-CG2 4.24Å; A122-D351 VanDerWaalsContact CB-O 3.28Å; A122-D351 WeakPolarHBondContact CB-O 3.32Å; A122-Y352 HydrophobicContact CB-CD1 4.29Å
123	Q	88.1	Confident	92.8	Very high	108 Å²	108	45.1 Å²	45.1	51%	0.505	22%	0.223	S	C	.	.	H	α-helix	trans	-90.8	-17.4	178.6	-66.4	175.2	38	0	0	113.1	Q119 I120 V121 K125	Q119-Q123 WeakPolarHBondContact O-CB 3.33Å; Q119-Q123 WeakPolarHBondContact O-CG 3.34Å; Q119-Q123 PolarHBondContact O-N 2.98Å; I120-Q123 PolarHBondContact O-N 3.16Å; V121-Q123 VanDerWaalsContact C-N 3.34Å; V121-Q123 PolarHBondContact O-N 3.08Å; Q123-K125 PolarHBondContact O-N 3.31Å
124	K	85.1	Confident	92.1	Very high	58 Å²	58	55 Å²	55	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	59.5	-38.1	-168.6	-173.6	176.4	-178.5	166.9	0	115.2	I120 V121 H146 A147 P545	I120-K124 WeakPolarHBondContact O-CA 3.27Å; I120-K124 PolarHBondContact O-N 3.12Å; V121-K124 PolarHBondContact O-N 2.84Å; K124-H146 CarbonylContact O-C 3.57Å; K124-H146 WeakPolarHBondContact O-CA 3.42Å; K124-A147 PolarHBondContact O-N 3.22Å; K124-P545 HydrophobicContact CD-CB 4.46Å; K124-P545 HydrophobicContact CD-CG 4.43Å
125	K	87.6	Confident	91.6	Very high	80 Å²	80	52.1 Å²	52.1	35%	0.348	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	108.2	178.7	177.2	-175.3	168	-164.9	0	108.4	Q123 T144 V145 E548	Q123-K125 PolarHBondContact O-N 3.31Å; K125-T144 HydrophobicContact CG-CG2 4.23Å; K125-V145 WeakPolarHBondContact CA-O 3.43Å; K125-E548 IonicContact NZ-OE1 2.74Å; K125-E548 PolarHBondContact NZ-OE1 3.3Å; K125-E548 IonicContact NZ-OE2 3.12Å; K125-E548 PolarHBondContact NZ-OE2 3.26Å
126	M	90.8	Very high	91.4	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.4	178.6	-173.7	-174.1	-65.1	0	0	110.2	M113 C115 Q119 I120 K128 T144 V145	M113-M126 HydrophobicContact CE-SD 3.88Å; C115-M126 HydrophobicContact CB-CE 4.39Å; C115-M126 HydrophobicContact CB-SD 4.12Å; Q119-M126 VanDerWaalsContact C-CE 3.41Å; Q119-M126 HydrophobicContact CB-CE 3.37Å; Q119-M126 WeakPolarHBondContact O-CE 3.45Å; I120-M126 HydrophobicContact CB-CE 4.44Å; I120-M126 HydrophobicContact CG1-CE 3.85Å; I120-M126 HydrophobicContact CG1-SD 4.43Å; M126-K128 HydrophobicContact CG-CG 4.09Å; M126-K128 HydrophobicContact SD-CD 4.09Å; M126-K128 HydrophobicContact SD-CG 4.05Å; M126-T144 CarbonylContact O-C 3.52Å; M126-T144 VanDerWaalsContact O-CA 3.3Å; M126-T144 WeakPolarHBondContact O-CA 3.45Å; M126-V145 PolarHBondContact N-O 3.32Å; M126-V145 PolarHBondContact O-N 3.29Å
127	I	93.6	Very high	91.2	Very high	97 Å²	97	66 Å²	66	50%	0.497	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.7	172.2	-54.3	177.2	0	0	0	107.8	I143 T144	I127-I143 WeakPolarHBondContact CA-O 3.37Å; I127-T144 HydrophobicContact CG1-CG2 3.93Å
128	K	95.8	Very high	91	Very high	70 Å²	70	66 Å²	66	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.3	176	-75.9	-154.5	-179.5	-179.1	0	112.8	M113 M126 T142 I143	M113-K128 HydrophobicContact CE-CB 4.41Å; M113-K128 HydrophobicContact CE-CD 4.28Å; M113-K128 HydrophobicContact CE-CG 4.49Å; M113-K128 HydrophobicContact SD-CB 3.97Å; M126-K128 HydrophobicContact CG-CG 4.09Å; M126-K128 HydrophobicContact SD-CD 4.09Å; M126-K128 HydrophobicContact SD-CG 4.05Å; K128-T142 WeakPolarHBondContact O-CA 3.14Å; K128-I143 PolarHBondContact N-O 2.88Å; K128-I143 PolarHBondContact O-N 2.72Å
129	P	96.9	Very high	90.9	Very high	56 Å²	56	68.3 Å²	68.3	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.3	169.3	29.4	-33.1	0	0	0	110.6	Y137	P129-Y137 HydrophobicContact CB-CD1 3.79Å; P129-Y137 HydrophobicContact CB-CE1 3.8Å; P129-Y137 HydrophobicContact CG-CD1 4.18Å; P129-Y137 HydrophobicContact CG-CE1 3.67Å
130	L	96.3	Very high	90.8	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.7	172.9	-70.6	172.1	0	0	0	110.7	L33 V93 A138 S141 I143	L33-L130 HydrophobicContact CD2-CD1 3.62Å; V93-L130 HydrophobicContact CB-CD1 4.31Å; V93-L130 HydrophobicContact CG2-CD1 3.72Å; V93-L130 HydrophobicContact CG2-CD2 3.85Å; V93-L130 HydrophobicContact CG2-CG 4.48Å; L130-A138 HydrophobicContact CB-CB 4.11Å; L130-A138 WeakPolarHBondContact O-CB 3.4Å; L130-A138 PolarHBondContact O-N 2.98Å; L130-S141 PolarHBondContact N-O 3.08Å; L130-I143 HydrophobicContact CD2-CB 3.96Å; L130-I143 HydrophobicContact CD2-CG2 3.49Å; L130-I143 VanDerWaalsContact CD2-CG2 3.49Å; L130-I143 HydrophobicContact CG-CB 4.23Å; L130-I143 HydrophobicContact CG-CG2 3.97Å
131	L	95.9	Very high	90.9	Very high	66 Å²	66	75.6 Å²	75.6	35%	0.346	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.7	-179.7	-57.1	-179.6	0	0	0	111.2	G111 G112 K136 Y137	G111-L131 CarbonylContact C-O 3.51Å; G111-L131 WeakPolarHBondContact CA-O 3.4Å; G112-L131 PolarHBondContact N-O 2.82Å; G112-L131 PolarHBondContact O-N 2.97Å; L131-K136 CarbonylContact C-O 3.03Å; L131-K136 WeakPolarHBondContact CA-O 3.44Å; L131-Y137 HydrophobicContact CD2-CD1 3.83Å; L131-Y137 HydrophobicContact CD2-CE1 4.02Å; L131-Y137 HydrophobicContact CD2-CG 4.38Å
132	L	92.8	Very high	91.1	Very high	44 Å²	44	77.3 Å²	77.3	23%	0.23	38%	0.382	C	S	.	.			trans	-78.8	168.7	170.8	-60.3	175.6	0	0	0	110.5	L34 Y134 G135 K136 A138	L34-L132 HydrophobicContact CD1-CD2 4.2Å; L132-Y134 PolarHBondContact O-N 3.44Å; L132-G135 PolarHBondContact O-N 2.81Å; L132-K136 PolarHBondContact N-O 2.97Å; L132-A138 HydrophobicContact CD2-CB 3.98Å; L132-A138 HydrophobicContact CG-CB 4.08Å
133	K	83.5	Confident	91.3	Very high	165 Å²	165	76 Å²	76	72%	0.717	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-14.3	-175.2	-65.9	-174.5	177.6	179.8	0	116.2	F109	F109-K133 HydrophobicContact CD1-CG 3.87Å; F109-K133 HydrophobicContact CE1-CG 3.89Å
134	Y	80.2	Confident	91.6	Very high	213 Å²	213	71.7 Å²	71.7	84%	0.835	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	20.8	177.7	-56.8	-74	0	0	0	113.4	L132 K136	L132-Y134 PolarHBondContact O-N 3.44Å; Y134-K136 PolarHBondContact O-N 3.07Å
135	G	85.1	Confident	91.9	Very high	48 Å²	48	69 Å²	69	50%	0.495	34%	0.34	S	S	.	.	S	Bend	trans	73.4	3.9	179.5	0	0	0	0	0	115.1	L132	L132-G135 PolarHBondContact O-N 2.81Å
136	K	90.8	Very high	91.9	Very high	153 Å²	153	67.7 Å²	67.7	67%	0.665	34%	0.335	S	S	*	.			trans	-73	138	174.4	-67.8	-172.8	179.5	-178.4	0	110.3	L131 L132 Y134 A138	L131-K136 CarbonylContact C-O 3.03Å; L131-K136 WeakPolarHBondContact CA-O 3.44Å; L132-K136 PolarHBondContact N-O 2.97Å; Y134-K136 PolarHBondContact O-N 3.07Å; K136-A138 PolarHBondContact O-N 3.43Å
137	Y	92.4	Very high	91.9	Very high	160 Å²	160	67.6 Å²	67.6	63%	0.627	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	131.8	171.2	-68.7	-75.5	0	0	0	111.5	P129 L131 G139	P129-Y137 HydrophobicContact CB-CD1 3.79Å; P129-Y137 HydrophobicContact CB-CE1 3.8Å; P129-Y137 HydrophobicContact CG-CD1 4.18Å; P129-Y137 HydrophobicContact CG-CE1 3.67Å; L131-Y137 HydrophobicContact CD2-CD1 3.83Å; L131-Y137 HydrophobicContact CD2-CE1 4.02Å; L131-Y137 HydrophobicContact CD2-CG 4.38Å; Y137-G139 PolarHBondContact O-N 2.89Å
138	A	91.2	Very high	91.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	63.6	173.3	0	0	0	0	0	110.6	L34 L110 L130 L132 K136 K140 S141	L34-A138 HydrophobicContact CD1-CB 3.85Å; L34-A138 HydrophobicContact CG-CB 4.25Å; L110-A138 VanDerWaalsContact O-CB 3.26Å; L110-A138 WeakPolarHBondContact O-CB 3.12Å; L130-A138 HydrophobicContact CB-CB 4.11Å; L130-A138 WeakPolarHBondContact O-CB 3.4Å; L130-A138 PolarHBondContact O-N 2.98Å; L132-A138 HydrophobicContact CD2-CB 3.98Å; L132-A138 HydrophobicContact CG-CB 4.08Å; K136-A138 PolarHBondContact O-N 3.43Å; A138-K140 PolarHBondContact O-N 2.84Å; A138-S141 WeakPolarHBondContact O-CB 3.2Å; A138-S141 PolarHBondContact O-N 3.1Å; A138-S141 PolarHBondContact O-OG 3.1Å
139	G	90.3	Very high	90.8	Very high	52 Å²	52	64.5 Å²	64.5	54%	0.536	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.9	-127.1	-174.8	0	0	0	0	0	111.9	Y137	Y137-G139 PolarHBondContact O-N 2.89Å
140	K	93	Very high	89.7	Confident	184 Å²	184	65.6 Å²	65.6	80%	0.8	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	12.3	174.9	-63.2	-178.2	-179.4	178.3	0	112.6	A32 A138 T142	A32-K140 HydrophobicContact CB-CB 4.2Å; A138-K140 PolarHBondContact O-N 2.84Å; K140-T142 PolarHBondContact O-N 3.31Å
141	S	95.3	Very high	88.1	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.8	-174.8	-52.4	0	0	0	0	110.5	K31 A32 L33 L34 L130 A138	K31-S141 WeakPolarHBondContact O-CA 3.45Å; A32-S141 VanDerWaalsContact O-CA 3.28Å; A32-S141 WeakPolarHBondContact O-CA 3.47Å; A32-S141 PolarHBondContact O-N 2.97Å; A32-S141 PolarHBondContact O-OG 3.11Å; L33-S141 WeakPolarHBondContact CA-OG 3.27Å; L34-S141 PolarHBondContact N-OG 3.27Å; L130-S141 PolarHBondContact N-O 3.08Å; A138-S141 WeakPolarHBondContact O-CB 3.2Å; A138-S141 PolarHBondContact O-N 3.1Å; A138-S141 PolarHBondContact O-OG 3.1Å
142	T	96.4	Very high	86.2	Confident	37 Å²	37	67.9 Å²	67.9	23%	0.227	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.3	175.6	52.8	0	0	0	0	109.9	C30 K31 K128 K140	C30-T142 CarbonylContact C-O 3.58Å; C30-T142 WeakPolarHBondContact CA-O 3.43Å; C30-T142 WeakPolarHBondContact CB-O 3.4Å; K31-T142 PolarHBondContact N-O 3.26Å; K31-T142 PolarHBondContact O-N 2.9Å; K128-T142 WeakPolarHBondContact O-CA 3.14Å; K140-T142 PolarHBondContact O-N 3.31Å
143	I	95.8	Very high	84.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.5	169.9	178.9	169.1	0	0	0	107.9	S29 V46 F91 M113 I127 K128 L130 V145	S29-I143 CarbonylContact O-C 3.56Å; S29-I143 WeakPolarHBondContact O-CA 3.17Å; V46-I143 HydrophobicContact CG1-CD1 4.3Å; F91-I143 HydrophobicContact CB-CD1 3.76Å; F91-I143 HydrophobicContact CD1-CD1 4.22Å; F91-I143 HydrophobicContact CG-CD1 4.13Å; M113-I143 HydrophobicContact CB-CG2 4.25Å; M113-I143 HydrophobicContact CG-CG2 3.69Å; M113-I143 HydrophobicContact SD-CB 4.45Å; M113-I143 HydrophobicContact SD-CG2 3.22Å; M113-I143 WeakPolarHBondContact SD-CG2 3.22Å; I127-I143 WeakPolarHBondContact CA-O 3.37Å; K128-I143 PolarHBondContact N-O 2.88Å; K128-I143 PolarHBondContact O-N 2.72Å; L130-I143 HydrophobicContact CD2-CB 3.96Å; L130-I143 HydrophobicContact CD2-CG2 3.49Å; L130-I143 VanDerWaalsContact CD2-CG2 3.49Å; L130-I143 HydrophobicContact CG-CB 4.23Å; L130-I143 HydrophobicContact CG-CG2 3.97Å; I143-V145 HydrophobicContact CG1-CG2 4.29Å
144	T	93.9	Very high	83.3	Confident	19 Å²	19	65 Å²	65	12%	0.117	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	174.6	-57.1	0	0	0	0	108.1	V28 S29 K125 M126 I127	V28-T144 WeakPolarHBondContact CA-O 3.4Å; S29-T144 PolarHBondContact N-O 3.44Å; S29-T144 PolarHBondContact O-N 3.15Å; K125-T144 HydrophobicContact CG-CG2 4.23Å; M126-T144 CarbonylContact O-C 3.52Å; M126-T144 VanDerWaalsContact O-CA 3.3Å; M126-T144 WeakPolarHBondContact O-CA 3.45Å; I127-T144 HydrophobicContact CG1-CG2 3.93Å
145	V	93.2	Very high	83	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.9	175.6	-169.3	0	0	0	0	108.3	L26 R27 V28 F91 M113 I120 K125 M126 I143	L26-V145 HydrophobicContact CB-CG1 4.11Å; L26-V145 HydrophobicContact CD1-CG1 4.39Å; L26-V145 HydrophobicContact CD2-CG1 4.35Å; R27-V145 WeakPolarHBondContact O-CA 3.28Å; V28-V145 HydrophobicContact CG1-CG1 4.18Å; V28-V145 HydrophobicContact CG1-CG2 4.17Å; F91-V145 HydrophobicContact CE1-CG1 4.37Å; F91-V145 HydrophobicContact CE1-CG2 4.18Å; F91-V145 HydrophobicContact CE2-CG2 4.24Å; F91-V145 HydrophobicContact CZ-CG1 4.03Å; F91-V145 HydrophobicContact CZ-CG2 4.03Å; M113-V145 HydrophobicContact SD-CG2 4.32Å; I120-V145 HydrophobicContact CD1-CG1 4.08Å; I120-V145 HydrophobicContact CG2-CB 4.45Å; I120-V145 HydrophobicContact CG2-CG1 4.01Å; K125-V145 WeakPolarHBondContact CA-O 3.43Å; M126-V145 PolarHBondContact N-O 3.32Å; M126-V145 PolarHBondContact O-N 3.29Å; I143-V145 HydrophobicContact CG1-CG2 4.29Å
146	H	87.8	Confident	83	Confident	53 Å²	53	55.8 Å²	55.8	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130	175.7	-176.7	-87.1	0	0	0	109.6	L26 R27 K124 E148	L26-H146 WeakPolarHBondContact CA-O 3.32Å; R27-H146 HydrophobicContact CB-CB 4.47Å; R27-H146 PolarHBondContact N-O 3.23Å; R27-H146 PolarHBondContact O-N 2.87Å; K124-H146 CarbonylContact O-C 3.57Å; K124-H146 WeakPolarHBondContact O-CA 3.42Å; H146-E148 VanDerWaalsContact CE1-CG 3.45Å; H146-E148 WeakPolarHBondContact CE1-CG 3.17Å; H146-E148 IonicContact CE1-OE1 2.97Å; H146-E148 PolarHBondContact CE1-OE1 3.4Å; H146-E148 IonicContact ND1-OE1 2.89Å
147	A	89.1	Confident	82.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.7	177.7	0	0	0	0	0	111.7	V24 E25 L26 I120 V121 K124 M301	V24-A147 HydrophobicContact CG1-CB 3.93Å; E25-A147 WeakPolarHBondContact O-CA 3.38Å; L26-A147 HydrophobicContact CD2-CB 3.72Å; I120-A147 HydrophobicContact CG2-CB 3.76Å; V121-A147 HydrophobicContact CG1-CB 4.44Å; K124-A147 PolarHBondContact O-N 3.22Å; A147-M301 HydrophobicContact CB-CE 4.15Å
148	E	83.2	Confident	82.9	Confident	75 Å²	75	42.9 Å²	42.9	35%	0.35	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.7	169.5	-64.2	179.1	146.9	0	0	108.2	V24 E25 R27 H146	V24-E148 CarbonylContact C-O 3.58Å; V24-E148 WeakPolarHBondContact CA-O 3.29Å; E25-E148 PolarHBondContact N-O 3.15Å; E25-E148 PolarHBondContact O-N 2.95Å; R27-E148 IonicContact CZ-OE2 3.72Å; R27-E148 IonicContact NE-OE2 3.98Å; R27-E148 PolarHBondContact NE-OE2 3.44Å; R27-E148 IonicContact NH2-OE2 3.38Å; H146-E148 VanDerWaalsContact CE1-CG 3.45Å; H146-E148 WeakPolarHBondContact CE1-CG 3.17Å; H146-E148 IonicContact CE1-OE1 2.97Å; H146-E148 PolarHBondContact CE1-OE1 3.4Å; H146-E148 IonicContact ND1-OE1 2.89Å
149	E	84.1	Confident	83.1	Confident	27 Å²	27	42.8 Å²	42.8	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.3	169.1	-173.2	-179.4	-158.6	0	0	109.1	S22 S151 S295 L297 M301	S22-E149 VanDerWaalsContact CB-OE1 3.23Å; S22-E149 WeakPolarHBondContact CB-OE1 3.28Å; S22-E149 PolarHBondContact OG-OE1 3.43Å; E149-S151 PolarHBondContact O-N 3.2Å; E149-S295 VanDerWaalsContact CD-OG 3.24Å; E149-S295 WeakPolarHBondContact OE1-CB 3.19Å; E149-S295 PolarHBondContact OE1-OG 2.78Å; E149-S295 PolarHBondContact OE2-OG 2.64Å; E149-L297 HydrophobicContact CB-CB 4.41Å; E149-L297 HydrophobicContact CB-CD1 4.36Å; E149-L297 HydrophobicContact CG-CB 4.29Å; E149-L297 HydrophobicContact CG-CD1 4.01Å; E149-L297 WeakPolarHBondContact OE2-CB 3.32Å; E149-M301 HydrophobicContact CB-CE 4.18Å; E149-M301 HydrophobicContact CB-SD 4.07Å
150	I	74.1	Confident	83.4	Confident	78 Å²	78	41.1 Å²	41.1	40%	0.4	22%	0.219	S	C	.	.			trans	-75.3	72.8	165	-48.1	-177.6	0	0	0	106.8	K23 E25 G152	K23-I150 HydrophobicContact CB-CB 3.99Å; K23-I150 HydrophobicContact CB-CD1 3.7Å; K23-I150 HydrophobicContact CB-CG1 4Å; K23-I150 PolarHBondContact O-N 2.92Å; E25-I150 HydrophobicContact CG-CD1 3.69Å; E25-I150 HydrophobicContact CG-CG1 3.64Å; I150-G152 PolarHBondContact O-N 3.1Å
151	S	62.8	Low	83.6	Confident	68 Å²	68	32.4 Å²	32.4	48%	0.476	18%	0.181	S	C	.	.			trans	-67.5	105.8	177.1	61.7	0	0	0	0	108	E149 N153	E149-S151 PolarHBondContact O-N 3.2Å; S151-N153 VanDerWaalsContact C-N 3.3Å; S151-N153 PolarHBondContact O-N 2.94Å
152	G	55	Low	83.7	Confident	47 Å²	47	33.1 Å²	33.1	49%	0.485	19%	0.186	S	C	.	.			trans	-61.4	103.2	151.7	0	0	0	0	0	105.3	I150 N154	I150-G152 PolarHBondContact O-N 3.1Å; G152-N154 VanDerWaalsContact O-CG 3.31Å; G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 PolarHBondContact O-OD1 3.17Å
153	N	55.9	Low	83.8	Confident	48 Å²	48	31.4 Å²	31.4	26%	0.257	18%	0.176	S	C	.	.			trans	-63.3	85.9	-174.4	-167.3	5.6	0	0	0	109.2	S151 G155 L214 C220	S151-N153 VanDerWaalsContact C-N 3.3Å; S151-N153 PolarHBondContact O-N 2.94Å; N153-G155 PolarHBondContact O-N 2.96Å; N153-G155 VanDerWaalsContact O-N 3.08Å; N153-L214 WeakPolarHBondContact ND2-CD1 3.32Å; N153-C220 HydrophobicContact CB-CB 4.3Å; N153-C220 PolarHBondContact O-SG 3Å
154	N	60.6	Low	83.8	Confident	99 Å²	99	36.9 Å²	36.9	53%	0.529	20%	0.199	S	C	.	.			trans	-76.7	10.5	-174.6	-75.3	-10.1	0	0	0	112.2	G152 I215 V293	G152-N154 VanDerWaalsContact O-CG 3.31Å; G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 PolarHBondContact O-OD1 3.17Å; N154-I215 WeakPolarHBondContact OD1-CD1 3.27Å; N154-V293 HydrophobicContact CB-CB 4.32Å; N154-V293 WeakPolarHBondContact O-CG2 3.5Å
155	G	73.9	Confident	84	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.			trans	-57.1	155.5	171.1	0	0	0	0	0	112.3	N153 L214 H291	N153-G155 PolarHBondContact O-N 2.96Å; N153-G155 VanDerWaalsContact O-N 3.08Å; G155-L214 PolarHBondContact O-N 3.01Å; G155-H291 CarbonylContact C-O 3.51Å; G155-H291 WeakPolarHBondContact CA-O 3.28Å
156	Y	84.1	Confident	84.2	Confident	69 Å²	69	44.2 Å²	44.2	27%	0.271	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.3	168.4	67.2	-90.5	0	0	0	109.8	K211 V212 H291 V293	Y156-K211 HydrophobicContact CD2-CB 4.1Å; Y156-K211 HydrophobicContact CD2-CD 3.98Å; Y156-K211 HydrophobicContact CD2-CG 4.04Å; Y156-K211 HydrophobicContact CE2-CD 3.55Å; Y156-K211 HydrophobicContact CE2-CG 4.01Å; Y156-K211 PolarHBondContact OH-NZ 3.02Å; Y156-V212 CarbonylContact C-O 3.48Å; Y156-V212 VanDerWaalsContact CA-O 3.26Å; Y156-V212 WeakPolarHBondContact CA-O 3.46Å; Y156-V212 WeakPolarHBondContact CB-O 3.36Å; Y156-H291 HydrophobicContact CD1-CB 3.97Å; Y156-H291 HydrophobicContact CD2-CB 4.01Å; Y156-H291 AromaticContact CD2-CD2 3.92Å; Y156-H291 HydrophobicContact CE1-CB 3.62Å; Y156-H291 HydrophobicContact CE2-CB 3.65Å; Y156-H291 AromaticContact CE2-CD2 3.3Å; Y156-H291 WeakPolarHBondContact CE2-CD2 3.46Å; Y156-H291 AromaticContact CE2-CG 3.5Å; Y156-H291 HydrophobicContact CG-CB 4.17Å; Y156-H291 VanDerWaalsContact CZ-CB 3.46Å; Y156-H291 AromaticContact CZ-CD2 3.83Å; Y156-H291 AromaticContact CZ-CG 3.53Å; Y156-H291 PolarHBondContact N-O 3.29Å; Y156-H291 WeakPolarHBondContact O-CA 3.4Å; Y156-H291 PolarHBondContact O-N 3.24Å; Y156-H291 VanDerWaalsContact O-O 3.09Å; Y156-V293 HydrophobicContact CD1-CG2 4.39Å
157	V	89.3	Confident	84.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.6	173.3	62.1	0	0	0	0	109.1	L159 K211 V212 L217 F249 L288 K289	V157-L159 HydrophobicContact CG1-CD1 4.03Å; V157-L159 HydrophobicContact CG1-CD2 4.31Å; V157-L159 HydrophobicContact CG1-CG 3.98Å; V157-L159 HydrophobicContact CG2-CD2 3.6Å; V157-L159 HydrophobicContact CG2-CG 3.92Å; V157-K211 WeakPolarHBondContact O-CA 3.26Å; V157-V212 HydrophobicContact CG1-CG2 3.65Å; V157-V212 PolarHBondContact N-O 2.87Å; V157-V212 PolarHBondContact O-N 3.35Å; V157-L217 HydrophobicContact CG1-CD2 3.62Å; V157-F249 HydrophobicContact CB-CE2 4.23Å; V157-F249 HydrophobicContact CG1-CE2 4.21Å; V157-F249 HydrophobicContact CG2-CE2 4.06Å; V157-L288 HydrophobicContact CG2-CD1 4.16Å; V157-L288 HydrophobicContact CG2-CD2 3.91Å; V157-L288 HydrophobicContact CG2-CG 3.62Å; V157-K289 WeakPolarHBondContact CA-O 3.39Å
158	E	92.9	Very high	84.6	Confident	41 Å²	41	47 Å²	47	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.2	164.7	-173.8	178.2	-152.6	0	0	108.2	P209 F210 K211 L288 K289	E158-P209 HydrophobicContact CG-CB 4.21Å; E158-F210 CarbonylContact C-O 3.58Å; E158-F210 VanDerWaalsContact CA-O 3.31Å; E158-F210 WeakPolarHBondContact CA-O 3.19Å; E158-K211 HydrophobicContact CB-CG 4.17Å; E158-K211 HydrophobicContact CG-CG 4.26Å; E158-L288 WeakPolarHBondContact O-CA 3.07Å; E158-K289 HydrophobicContact CB-CB 4.24Å; E158-K289 PolarHBondContact N-O 2.9Å; E158-K289 PolarHBondContact O-N 2.87Å; E158-K289 WeakPolarHBondContact OE2-CD 3.35Å; E158-K289 IonicContact OE2-NZ 2.72Å
159	L	94.6	Very high	84.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	-176.5	-63.6	170.2	0	0	0	109.7	V157 F161 P209 F210 V212 L217 M252 L285 L288	V157-L159 HydrophobicContact CG1-CD1 4.03Å; V157-L159 HydrophobicContact CG1-CD2 4.31Å; V157-L159 HydrophobicContact CG1-CG 3.98Å; V157-L159 HydrophobicContact CG2-CD2 3.6Å; V157-L159 HydrophobicContact CG2-CG 3.92Å; L159-F161 HydrophobicContact CB-CD2 4.21Å; L159-F161 HydrophobicContact CB-CE2 3.86Å; L159-F161 HydrophobicContact CD1-CE2 4.15Å; L159-F161 HydrophobicContact CG-CE2 4.45Å; L159-P209 WeakPolarHBondContact O-CA 3.37Å; L159-F210 HydrophobicContact CB-CE1 4.17Å; L159-F210 HydrophobicContact CB-CE2 4.05Å; L159-F210 HydrophobicContact CB-CZ 3.8Å; L159-F210 HydrophobicContact CD1-CE2 3.9Å; L159-F210 HydrophobicContact CD1-CZ 4Å; L159-F210 HydrophobicContact CG-CE2 4.48Å; L159-F210 PolarHBondContact N-O 2.91Å; L159-F210 PolarHBondContact O-N 3.5Å; L159-F210 VanDerWaalsContact O-N 3.08Å; L159-V212 HydrophobicContact CD1-CG2 4.13Å; L159-L217 HydrophobicContact CD1-CD2 4.38Å; L159-M252 HydrophobicContact CD2-SD 4.41Å; L159-L285 HydrophobicContact CB-CD1 4.39Å; L159-L285 HydrophobicContact CD2-CD1 3.87Å; L159-L288 HydrophobicContact CD2-CB 4.3Å; L159-L288 HydrophobicContact CD2-CD1 3.67Å; L159-L288 HydrophobicContact CD2-CG 3.82Å
160	S	96.6	Very high	85.1	Confident	16 Å²	16	46.6 Å²	46.6	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.8	171.8	-58.3	0	0	0	0	109.8	S286 D287	S160-S286 WeakPolarHBondContact CB-OG 3.38Å; S160-S286 PolarHBondContact O-N 3.36Å; S160-S286 PolarHBondContact O-OG 3.47Å; S160-S286 VanDerWaalsContact O-OG 3.07Å; S160-D287 PolarHBondContact N-O 3.49Å; S160-D287 PolarHBondContact O-N 3.35Å
161	F	97.1	Very high	85.4	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.5	179.5	-77.9	-90.4	0	0	0	111.4	L159 L179 I181 W207 F210 M252 W263 V283 I284 L285	L159-F161 HydrophobicContact CB-CD2 4.21Å; L159-F161 HydrophobicContact CB-CE2 3.86Å; L159-F161 HydrophobicContact CD1-CE2 4.15Å; L159-F161 HydrophobicContact CG-CE2 4.45Å; F161-L179 HydrophobicContact CB-CD2 4.19Å; F161-L179 HydrophobicContact CD1-CD2 4.28Å; F161-L179 HydrophobicContact CD2-CD2 4.3Å; F161-L179 HydrophobicContact CG-CD2 4.02Å; F161-I181 HydrophobicContact CE2-CD1 4.12Å; F161-I181 HydrophobicContact CZ-CD1 4.49Å; F161-W207 HydrophobicContact CB-CE3 3.84Å; F161-W207 HydrophobicContact CB-CZ3 4.25Å; F161-W207 PolarHBondContact O-N 2.79Å; F161-W207 VanDerWaalsContact O-N 3.07Å; F161-F210 AromaticContact CD2-CE1 3.86Å; F161-F210 HydrophobicContact CD2-CE1 3.86Å; F161-F210 HydrophobicContact CD2-CZ 4.05Å; F161-F210 HydrophobicContact CE2-CE1 4.3Å; F161-F210 HydrophobicContact CE2-CZ 4.01Å; F161-M252 HydrophobicContact CZ-CE 4.11Å; F161-W263 HydrophobicContact CE1-CH2 4.44Å; F161-W263 AromaticContact CE1-CZ3 3.82Å; F161-W263 HydrophobicContact CE1-CZ3 3.82Å; F161-V283 HydrophobicContact CD1-CG1 3.81Å; F161-V283 HydrophobicContact CE1-CG1 4.38Å; F161-I284 WeakPolarHBondContact CA-O 3.42Å; F161-L285 HydrophobicContact CD1-CB 4.39Å; F161-L285 HydrophobicContact CD1-CD1 4.33Å; F161-L285 HydrophobicContact CD2-CD1 4.1Å; F161-L285 HydrophobicContact CE1-CB 4.08Å; F161-L285 HydrophobicContact CE1-CD1 3.97Å; F161-L285 HydrophobicContact CE2-CD1 3.71Å; F161-L285 HydrophobicContact CG-CD1 4.41Å; F161-L285 HydrophobicContact CZ-CD1 3.64Å
162	C	97.5	Very high	86.3	Confident	17 Å²	17	57.3 Å²	57.3	12%	0.115	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	164.7	162.4	66.4	0	0	0	0	110.5	P205 V206 I284	C162-P205 CarbonylContact C-O 3.6Å; C162-P205 WeakPolarHBondContact CA-O 3.37Å; C162-P205 VanDerWaalsContact CB-O 3.25Å; C162-P205 WeakPolarHBondContact CB-O 3.12Å; C162-V206 HydrophobicContact CB-CB 4.25Å; C162-V206 HydrophobicContact CB-CG1 4.37Å; C162-V206 HydrophobicContact CB-CG2 3.86Å; C162-I284 PolarHBondContact N-O 3.02Å; C162-I284 PolarHBondContact O-N 3.15Å
163	A	97.9	Very high	87.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.3	171	0	0	0	0	0	111.5	L166 N204 P205 W207 V282 V283	A163-L166 HydrophobicContact CB-CD1 3.9Å; A163-L166 HydrophobicContact CB-CD2 3.85Å; A163-L166 HydrophobicContact CB-CG 3.88Å; A163-N204 CarbonylContact O-C 3.58Å; A163-N204 VanDerWaalsContact O-C 3.3Å; A163-N204 WeakPolarHBondContact O-CA 3.04Å; A163-P205 HydrophobicContact CB-CG 3.86Å; A163-P205 PolarHBondContact N-O 2.81Å; A163-W207 HydrophobicContact CB-CH2 3.76Å; A163-W207 HydrophobicContact CB-CZ3 3.99Å; A163-V282 CarbonylContact C-O 3.57Å; A163-V282 VanDerWaalsContact CA-O 3.22Å; A163-V282 WeakPolarHBondContact CA-O 3.48Å; A163-V283 HydrophobicContact CB-CG2 4.17Å
164	K	97.3	Very high	89.6	Confident	115 Å²	115	60.1 Å²	60.1	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.1	177.7	-66.1	-173.7	-179.4	177.8	0	111	L166 N204 G281 V282 I284	K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 2.87Å; K164-N204 WeakPolarHBondContact CA-OD1 3.23Å; K164-G281 WeakPolarHBondContact O-CA 3.28Å; K164-V282 PolarHBondContact N-O 3.42Å; K164-V282 PolarHBondContact O-N 3.05Å; K164-I284 HydrophobicContact CD-CD1 3.82Å; K164-I284 HydrophobicContact CG-CD1 4.09Å
165	K	96.8	Very high	91.1	Very high	170 Å²	170	55.4 Å²	55.4	74%	0.739	27%	0.266	S	S	*	.	S	Bend	trans	52.8	44.2	175.3	-55.2	-179.5	179.1	-179.2	0	112.5	L203 N204 G281	K165-L203 PolarHBondContact N-O 3.25Å; K165-N204 PolarHBondContact N-OD1 2.72Å; K165-G281 WeakPolarHBondContact O-CA 3.29Å; K165-G281 PolarHBondContact O-N 3.48Å
166	L	96.9	Very high	92	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-59.8	147.2	172.7	-65.8	179.3	0	0	0	110.4	A163 K164 D168 P177 L203 P205 V230 I242 S280	A163-L166 HydrophobicContact CB-CD1 3.9Å; A163-L166 HydrophobicContact CB-CD2 3.85Å; A163-L166 HydrophobicContact CB-CG 3.88Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 2.87Å; L166-D168 PolarHBondContact O-N 3.19Å; L166-P177 HydrophobicContact CD1-CB 3.59Å; L166-P177 HydrophobicContact CD1-CG 3.83Å; L166-L203 HydrophobicContact CB-CB 4.49Å; L166-L203 PolarHBondContact N-O 2.92Å; L166-P205 HydrophobicContact CD1-CG 3.76Å; L166-V230 HydrophobicContact CD1-CG1 4.08Å; L166-V230 HydrophobicContact CD2-CG1 4.24Å; L166-I242 HydrophobicContact CD2-CG2 4.36Å; L166-S280 WeakPolarHBondContact CA-O 3.39Å
167	D	93.6	Very high	92.5	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.219	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.2	132.7	174	-92.2	6.8	0	0	0	109.8	S175 I242 Y270 S280	D167-S175 PolarHBondContact O-OG 3.18Å; D167-S175 VanDerWaalsContact O-OG 3.06Å; D167-I242 HydrophobicContact CB-CG2 4.38Å; D167-Y270 VanDerWaalsContact OD2-CE2 3.31Å; D167-Y270 WeakPolarHBondContact OD2-CE2 3.41Å; D167-S280 PolarHBondContact N-O 3.44Å; D167-S280 PolarHBondContact OD2-OG 3.12Å
168	D	92.6	Very high	92.8	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-76.1	131.1	173.3	-150.9	-18	0	0	0	110.4	L166 D170 K174 S175 L203	L166-D168 PolarHBondContact O-N 3.19Å; D168-D170 PolarHBondContact OD1-N 2.89Å; D168-K174 VanDerWaalsContact OD1-CA 3.32Å; D168-K174 WeakPolarHBondContact OD1-CA 3.35Å; D168-S175 WeakPolarHBondContact CA-OG 3.41Å; D168-S175 PolarHBondContact OD1-N 3.08Å; D168-S175 PolarHBondContact OD1-OG 3.43Å; D168-L203 HydrophobicContact CB-CD1 4.18Å; D168-L203 HydrophobicContact CB-CD2 4.17Å
169	K	90.4	Very high	92.9	Very high	38 Å²	38	51.5 Å²	51.5	17%	0.165	25%	0.25	C	S	.	.			trans	-108.6	-16.2	179.1	-61.1	-61.3	174	172.7	0	112.6	S175 D232 D240 F241 I242 Y270	K169-S175 PolarHBondContact N-OG 2.95Å; K169-D232 HydrophobicContact CB-CB 4.13Å; K169-D232 VanDerWaalsContact CB-OD2 3.32Å; K169-D232 WeakPolarHBondContact CB-OD2 3.33Å; K169-D232 HydrophobicContact CG-CB 4.01Å; K169-D240 HydrophobicContact CB-CB 4.19Å; K169-D240 HydrophobicContact CG-CB 4.2Å; K169-F241 WeakPolarHBondContact CE-O 3.27Å; K169-F241 PolarHBondContact NZ-O 3.45Å; K169-I242 HydrophobicContact CG-CG1 4.09Å; K169-Y270 PolarHBondContact NZ-OH 2.71Å
170	D	86.4	Confident	92.9	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.294	25%	0.254	S	S	.	.			trans	-91.1	153.3	-177.5	-81.3	-28.6	0	0	0	113.1	D168 S173	D168-D170 PolarHBondContact OD1-N 2.89Å; D170-S173 VanDerWaalsContact CB-O 3.29Å; D170-S173 WeakPolarHBondContact CB-O 3.31Å; D170-S173 VanDerWaalsContact CB-OG 3.28Å; D170-S173 WeakPolarHBondContact CB-OG 3.46Å; D170-S173 PolarHBondContact OD2-OG 2.83Å
171	L	80.5	Confident	92.9	Very high	161 Å²	161	51.5 Å²	51.5	84%	0.843	25%	0.249	S	C	*	.	S	Bend	trans	-92.2	-26.5	179.9	-75.5	162.1	0	0	0	113.6
172	F	82.3	Confident	92.7	Very high	210 Å²	210	53 Å²	53	92%	0.921	26%	0.255	S	S	*	.	S	Bend	trans	-133.4	0.4	-174.7	-58.7	-70.2	0	0	0	113.9
173	S	88.4	Confident	92.4	Very high	48 Å²	48	53.5 Å²	53.5	34%	0.336	26%	0.255	S	S	.	.	S	Bend	trans	-132.5	178.9	174.9	34.8	0	0	0	0	108.2	D170 N201	D170-S173 VanDerWaalsContact CB-O 3.29Å; D170-S173 WeakPolarHBondContact CB-O 3.31Å; D170-S173 VanDerWaalsContact CB-OG 3.28Å; D170-S173 WeakPolarHBondContact CB-OG 3.46Å; D170-S173 PolarHBondContact OD2-OG 2.83Å; S173-N201 WeakPolarHBondContact CB-OD1 3.34Å
174	K	91.4	Very high	91.9	Very high	106 Å²	106	55.7 Å²	55.7	46%	0.461	27%	0.265	S	S	.	.			trans	-95.4	156	161.5	-67.4	171.8	-179.1	174.8	0	108.4	D168 N201 L203	D168-K174 VanDerWaalsContact OD1-CA 3.32Å; D168-K174 WeakPolarHBondContact OD1-CA 3.35Å; K174-N201 HydrophobicContact CB-CB 4.44Å; K174-N201 PolarHBondContact N-OD1 2.82Å; K174-N201 WeakPolarHBondContact O-CA 3.23Å; K174-N201 PolarHBondContact O-OD1 2.84Å; K174-L203 HydrophobicContact CB-CD2 4.2Å; K174-L203 HydrophobicContact CB-CG 4.25Å; K174-L203 HydrophobicContact CD-CG 4.25Å; K174-L203 HydrophobicContact CG-CG 4.32Å
175	S	92.5	Very high	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.			trans	-45.5	144.9	169.8	-50.8	0	0	0	0	113.2	D167 D168 K169 P177 N201 N202 D232	D167-S175 PolarHBondContact O-OG 3.18Å; D167-S175 VanDerWaalsContact O-OG 3.06Å; D168-S175 WeakPolarHBondContact CA-OG 3.41Å; D168-S175 PolarHBondContact OD1-N 3.08Å; D168-S175 PolarHBondContact OD1-OG 3.43Å; K169-S175 PolarHBondContact N-OG 2.95Å; S175-P177 WeakPolarHBondContact O-CD 3.27Å; S175-N201 PolarHBondContact O-N 2.79Å; S175-N202 PolarHBondContact O-N 3.15Å; S175-D232 WeakPolarHBondContact CA-OD1 3.26Å; S175-D232 VanDerWaalsContact CB-OD1 3.32Å; S175-D232 WeakPolarHBondContact CB-OD1 3.42Å
176	D	93.1	Very high	90.1	Very high	22 Å²	22	50.4 Å²	50.4	12%	0.118	25%	0.251	C	S	.	.			trans	-102.4	72.7	172.6	-69.5	-13.2	0	0	0	110.1	V198 I199 K200 N201 D232 Y233	D176-V198 HydrophobicContact CB-CG1 3.85Å; D176-I199 CarbonylContact C-O 3.59Å; D176-I199 VanDerWaalsContact CA-O 3.28Å; D176-I199 WeakPolarHBondContact CA-O 3.46Å; D176-K200 WeakPolarHBondContact OD1-CA 3.07Å; D176-N201 PolarHBondContact OD1-N 2.8Å; D176-D232 PolarHBondContact N-OD1 3.08Å; D176-Y233 WeakPolarHBondContact O-CB 3.47Å; D176-Y233 PolarHBondContact O-N 3.35Å
177	P	95.1	Very high	89.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	146.5	-167.2	30.2	-41	0	0	0	115.8	L166 S175 I199 N202 P205 W207 V230 W231 I242	L166-P177 HydrophobicContact CD1-CB 3.59Å; L166-P177 HydrophobicContact CD1-CG 3.83Å; S175-P177 WeakPolarHBondContact O-CD 3.27Å; P177-I199 WeakPolarHBondContact CD-O 3.3Å; P177-I199 PolarHBondContact O-N 3.01Å; P177-I199 VanDerWaalsContact O-N 3.16Å; P177-N202 WeakPolarHBondContact CD-O 3.43Å; P177-N202 WeakPolarHBondContact CG-O 3.39Å; P177-P205 HydrophobicContact CB-CG 4.23Å; P177-P205 HydrophobicContact CG-CB 3.84Å; P177-P205 HydrophobicContact CG-CG 3.57Å; P177-W207 HydrophobicContact CB-CZ2 4.31Å; P177-W207 PolarHBondContact O-NE1 3.32Å; P177-V230 HydrophobicContact CB-CG1 4.47Å; P177-W231 CarbonylContact C-O 3.49Å; P177-W231 WeakPolarHBondContact CA-O 3.41Å; P177-I242 HydrophobicContact CB-CD1 4.28Å
178	F	94	Very high	88.3	Confident	5 Å²	5	56.5 Å²	56.5	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158	164	68.9	-83.8	0	0	0	111.7	E180 R195 V198 W231 H239	F178-E180 HydrophobicContact CD2-CG 4.14Å; F178-E180 HydrophobicContact CE2-CG 3.85Å; F178-R195 HydrophobicContact CD2-CG 3.88Å; F178-R195 HydrophobicContact CE2-CG 4.27Å; F178-V198 HydrophobicContact CB-CG2 4.05Å; F178-V198 HydrophobicContact CD1-CG2 3.94Å; F178-V198 HydrophobicContact CG-CG2 4.2Å; F178-W231 HydrophobicContact CD1-CB 3.92Å; F178-W231 HydrophobicContact CD2-CB 4.38Å; F178-W231 HydrophobicContact CE1-CB 3.36Å; F178-W231 HydrophobicContact CE1-CG 4.27Å; F178-W231 HydrophobicContact CE2-CB 3.87Å; F178-W231 AromaticContact CE2-CD1 3.71Å; F178-W231 HydrophobicContact CE2-CG 4.04Å; F178-W231 HydrophobicContact CG-CB 4.41Å; F178-W231 HydrophobicContact CZ-CB 3.33Å; F178-W231 AromaticContact CZ-CD1 3.88Å; F178-W231 AromaticContact CZ-CG 3.74Å; F178-W231 HydrophobicContact CZ-CG 3.74Å; F178-W231 PolarHBondContact N-O 2.95Å; F178-W231 PolarHBondContact O-N 3.07Å; F178-H239 HydrophobicContact CE1-CB 4.22Å; F178-H239 AromaticContact CE1-CD2 3.93Å; F178-H239 AromaticContact CE1-CG 3.95Å; F178-H239 HydrophobicContact CZ-CB 4.28Å; F178-H239 AromaticContact CZ-CD2 3.59Å
179	L	95.8	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.7	-178.1	171.6	67.6	0	0	0	110.5	F161 I181 R195 T196 W207 C228 L229 V230 F245	F161-L179 HydrophobicContact CB-CD2 4.19Å; F161-L179 HydrophobicContact CD1-CD2 4.28Å; F161-L179 HydrophobicContact CD2-CD2 4.3Å; F161-L179 HydrophobicContact CG-CD2 4.02Å; L179-I181 HydrophobicContact CD2-CD1 4.37Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.24Å; L179-R195 WeakPolarHBondContact O-CA 3.42Å; L179-T196 HydrophobicContact CB-CG2 3.9Å; L179-T196 HydrophobicContact CD2-CG2 4.43Å; L179-T196 HydrophobicContact CG-CG2 4.5Å; L179-T196 PolarHBondContact N-OG1 2.77Å; L179-T196 PolarHBondContact O-N 3.07Å; L179-W207 HydrophobicContact CB-CH2 4.17Å; L179-W207 HydrophobicContact CB-CZ2 4.18Å; L179-W207 HydrophobicContact CB-CZ3 4.39Å; L179-W207 HydrophobicContact CD2-CZ3 4.44Å; L179-C228 HydrophobicContact CD1-CB 4.12Å; L179-L229 CarbonylContact C-O 3.57Å; L179-L229 WeakPolarHBondContact CA-O 3.32Å; L179-V230 HydrophobicContact CD1-CG2 4.13Å; L179-F245 HydrophobicContact CD1-CE1 4.13Å; L179-F245 HydrophobicContact CD1-CZ 4.45Å
180	E	95.4	Very high	87.5	Confident	15 Å²	15	58.8 Å²	58.8	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.9	168.4	-63.4	-176.3	135.8	0	0	110.6	F178 F182 L192 H194 R195 C228 L229 W231	F178-E180 HydrophobicContact CD2-CG 4.14Å; F178-E180 HydrophobicContact CE2-CG 3.85Å; E180-F182 HydrophobicContact CB-CD2 4.25Å; E180-F182 HydrophobicContact CB-CE2 3.57Å; E180-F182 HydrophobicContact CB-CZ 4.36Å; E180-F182 HydrophobicContact CG-CE2 4.45Å; E180-L192 HydrophobicContact CB-CD1 4.05Å; E180-L192 HydrophobicContact CG-CD1 4.41Å; E180-H194 WeakPolarHBondContact CA-O 3.43Å; E180-R195 HydrophobicContact CG-CB 4.27Å; E180-R195 HydrophobicContact CG-CG 3.97Å; E180-R195 IonicContact OE1-CZ 3.12Å; E180-R195 IonicContact OE1-NE 2.79Å; E180-R195 PolarHBondContact OE1-NE 3.41Å; E180-R195 IonicContact OE1-NH2 2.65Å; E180-R195 PolarHBondContact OE1-NH2 3.37Å; E180-C228 CarbonylContact O-C 3.57Å; E180-C228 VanDerWaalsContact O-CA 3.27Å; E180-C228 WeakPolarHBondContact O-CA 3.48Å; E180-L229 HydrophobicContact CB-CB 4.42Å; E180-L229 PolarHBondContact N-O 3.11Å; E180-L229 PolarHBondContact O-N 3.36Å; E180-W231 PolarHBondContact OE2-NE1 3Å
181	I	96.1	Very high	87.1	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.9	177.7	-55.5	178	0	0	0	108.4	F161 L179 V193 H194 F210 L217 L226	F161-I181 HydrophobicContact CE2-CD1 4.12Å; F161-I181 HydrophobicContact CZ-CD1 4.49Å; L179-I181 HydrophobicContact CD2-CD1 4.37Å; L179-I181 HydrophobicContact CD2-CG1 4.34Å; L179-I181 HydrophobicContact CG-CG1 4.24Å; I181-V193 HydrophobicContact CG2-CB 4.46Å; I181-V193 WeakPolarHBondContact O-CB 3.43Å; I181-V193 PolarHBondContact O-N 3.32Å; I181-H194 PolarHBondContact N-O 2.97Å; I181-H194 PolarHBondContact O-N 3.34Å; I181-F210 HydrophobicContact CD1-CE2 4.3Å; I181-F210 HydrophobicContact CD1-CZ 3.65Å; I181-L217 HydrophobicContact CG2-CD1 4.44Å; I181-L226 HydrophobicContact CG2-CB 4.41Å
182	F	93	Very high	87.3	Confident	32 Å²	32	56.3 Å²	56.3	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.9	177.3	-65.4	-98.7	0	0	0	110.8	E180 E190 Q191 L192 L226 K227 L229	E180-F182 HydrophobicContact CB-CD2 4.25Å; E180-F182 HydrophobicContact CB-CE2 3.57Å; E180-F182 HydrophobicContact CB-CZ 4.36Å; E180-F182 HydrophobicContact CG-CE2 4.45Å; F182-E190 HydrophobicContact CB-CB 4.46Å; F182-E190 HydrophobicContact CD1-CB 4.18Å; F182-Q191 CarbonylContact C-O 3.3Å; F182-Q191 WeakPolarHBondContact CA-O 3.42Å; F182-L192 HydrophobicContact CD1-CB 3.97Å; F182-L192 HydrophobicContact CD1-CD1 4.25Å; F182-L192 HydrophobicContact CD2-CD1 4.3Å; F182-L192 HydrophobicContact CE1-CB 3.69Å; F182-L192 HydrophobicContact CE1-CD1 3.84Å; F182-L192 HydrophobicContact CE1-CG 4.33Å; F182-L192 HydrophobicContact CE2-CD1 3.9Å; F182-L192 HydrophobicContact CG-CD1 4.47Å; F182-L192 HydrophobicContact CZ-CB 4.34Å; F182-L192 HydrophobicContact CZ-CD1 3.65Å; F182-L226 CarbonylContact O-C 3.49Å; F182-L226 VanDerWaalsContact O-CA 3.27Å; F182-L226 WeakPolarHBondContact O-CA 3.43Å; F182-K227 HydrophobicContact CB-CB 4.32Å; F182-K227 PolarHBondContact N-O 3.02Å; F182-K227 PolarHBondContact O-N 2.78Å; F182-L229 HydrophobicContact CD2-CD1 4.26Å; F182-L229 HydrophobicContact CD2-CG 4.37Å; F182-L229 HydrophobicContact CE2-CD1 3.77Å; F182-L229 HydrophobicContact CE2-CG 4.23Å
183	R	91.3	Very high	87.6	Confident	28 Å²	28	47.5 Å²	47.5	11%	0.106	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.7	168.2	-174.2	-173.4	75.6	-160.6	-0.5	109.3	N185 Q191 V193 I215 L217 S219 R224 L226	R183-N185 VanDerWaalsContact CZ-OD1 3.24Å; R183-N185 PolarHBondContact NE-OD1 3Å; R183-N185 PolarHBondContact NH2-OD1 3.2Å; R183-Q191 PolarHBondContact N-O 3.5Å; R183-Q191 PolarHBondContact O-N 3.48Å; R183-V193 HydrophobicContact CB-CG2 3.71Å; R183-I215 PolarHBondContact NH1-O 3.34Å; R183-I215 VanDerWaalsContact NH1-O 3.08Å; R183-L217 WeakPolarHBondContact CG-O 3.46Å; R183-S219 PolarHBondContact NH1-OG 3.22Å; R183-S219 VanDerWaalsContact NH1-OG 3.16Å; R183-R224 HydrophobicContact CG-CG 4.3Å; R183-L226 HydrophobicContact CB-CD2 4.38Å; R183-L226 HydrophobicContact CG-CD2 4.47Å
184	M	87.8	Confident	87.8	Confident	47 Å²	47	47.5 Å²	47.5	23%	0.232	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.9	170.1	-55.6	-62.2	-61.6	0	0	109.9	E190 R224 K225 K227	M184-E190 HydrophobicContact CE-CG 4.04Å; M184-E190 HydrophobicContact SD-CG 3.77Å; M184-R224 PolarHBondContact O-NH1 2.67Å; M184-R224 VanDerWaalsContact O-NH1 3.12Å; M184-K225 HydrophobicContact CB-CB 4.36Å; M184-K225 WeakPolarHBondContact CB-O 3.19Å; M184-K225 HydrophobicContact CG-CB 4.04Å; M184-K225 WeakPolarHBondContact CG-O 3.46Å; M184-K225 PolarHBondContact N-O 3.17Å; M184-K225 VanDerWaalsContact N-O 3.11Å; M184-K227 HydrophobicContact SD-CB 4.07Å; M184-K227 HydrophobicContact SD-CD 4.35Å
185	N	78.1	Confident	87.9	Confident	32 Å²	32	48.8 Å²	48.8	17%	0.171	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-83.1	162.7	177.4	-64.5	-31.6	0	0	0	111.5	R183 D187 G188 T189	R183-N185 VanDerWaalsContact CZ-OD1 3.24Å; R183-N185 PolarHBondContact NE-OD1 3Å; R183-N185 PolarHBondContact NH2-OD1 3.2Å; N185-D187 WeakPolarHBondContact CB-OD1 3.24Å; N185-D187 PolarHBondContact O-N 2.61Å; N185-G188 PolarHBondContact O-N 3.18Å; N185-T189 WeakPolarHBondContact CB-O 3.13Å; N185-T189 WeakPolarHBondContact CB-OG1 3.41Å; N185-T189 PolarHBondContact N-O 2.88Å; N185-T189 PolarHBondContact ND2-OG1 3.45Å
186	D	76.4	Confident	87.9	Confident	143 Å²	143	49.2 Å²	49.2	77%	0.765	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.9	-178	-60.7	-25.2	0	0	0	112.6	G188 R224	D186-G188 PolarHBondContact O-N 3.1Å; D186-R224 IonicContact OD1-CZ 2.65Å; D186-R224 IonicContact OD1-NH1 3.87Å; D186-R224 PolarHBondContact OD1-NH1 2.93Å; D186-R224 IonicContact OD1-NH2 3.29Å; D186-R224 PolarHBondContact OD1-NH2 2.86Å; D186-R224 IonicContact OD2-NH1 2.88Å; D186-R224 IonicContact OD2-NH2 3.22Å; D186-R224 PolarHBondContact OD2-NH2 3.03Å
187	D	76.5	Confident	87.9	Confident	119 Å²	119	51.5 Å²	51.5	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	1.8	173.3	68.4	-5.1	0	0	0	113.4	N185 T189	N185-D187 WeakPolarHBondContact CB-OD1 3.24Å; N185-D187 PolarHBondContact O-N 2.61Å; D187-T189 VanDerWaalsContact C-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CB 3.28Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.49Å; D187-T189 PolarHBondContact OD1-N 3.35Å; D187-T189 PolarHBondContact OD1-OG1 3.04Å; D187-T189 WeakPolarHBondContact OD2-CG2 3.3Å; D187-T189 PolarHBondContact OD2-OG1 3.18Å
188	G	77.8	Confident	87.7	Confident	53 Å²	53	54.1 Å²	54.1	55%	0.546	28%	0.282	S	S	.	.	S	Bend	trans	81.7	1.9	-179.1	0	0	0	0	0	114.9	N185 D186	N185-G188 PolarHBondContact O-N 3.18Å; D186-G188 PolarHBondContact O-N 3.1Å
189	T	79.6	Confident	87.6	Confident	68 Å²	68	55.3 Å²	55.3	42%	0.417	29%	0.289	S	S	.	.			trans	-75.2	153	175	63.3	0	0	0	0	111.9	N185 D187	N185-T189 WeakPolarHBondContact CB-O 3.13Å; N185-T189 WeakPolarHBondContact CB-OG1 3.41Å; N185-T189 PolarHBondContact N-O 2.88Å; N185-T189 PolarHBondContact ND2-OG1 3.45Å; D187-T189 VanDerWaalsContact C-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CB 3.28Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.49Å; D187-T189 PolarHBondContact OD1-N 3.35Å; D187-T189 PolarHBondContact OD1-OG1 3.04Å; D187-T189 WeakPolarHBondContact OD2-CG2 3.3Å; D187-T189 PolarHBondContact OD2-OG1 3.18Å
190	E	86	Confident	87.4	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.421	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	177.3	-58.1	-174.3	177.7	0	0	109.4	F182 M184 K227	F182-E190 HydrophobicContact CB-CB 4.46Å; F182-E190 HydrophobicContact CD1-CB 4.18Å; M184-E190 HydrophobicContact CE-CG 4.04Å; M184-E190 HydrophobicContact SD-CG 3.77Å; E190-K227 WeakPolarHBondContact OE1-CD 3.38Å; E190-K227 IonicContact OE1-NZ 2.88Å; E190-K227 PolarHBondContact OE1-NZ 3.25Å; E190-K227 IonicContact OE2-NZ 3.19Å; E190-K227 PolarHBondContact OE2-NZ 3.12Å
191	Q	78.3	Confident	87.3	Confident	87 Å²	87	65.9 Å²	65.9	41%	0.407	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	174.2	-179	171.1	-0.4	0	0	110.1	F182 R183 V193	F182-Q191 CarbonylContact C-O 3.3Å; F182-Q191 WeakPolarHBondContact CA-O 3.42Å; R183-Q191 PolarHBondContact N-O 3.5Å; R183-Q191 PolarHBondContact O-N 3.48Å; Q191-V193 PolarHBondContact O-N 3.18Å
192	L	85.5	Confident	87.2	Confident	76 Å²	76	68.2 Å²	68.2	40%	0.398	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	121.8	173.3	-178.4	67	0	0	0	109.5	E180 F182 H194	E180-L192 HydrophobicContact CB-CD1 4.05Å; E180-L192 HydrophobicContact CG-CD1 4.41Å; F182-L192 HydrophobicContact CD1-CB 3.97Å; F182-L192 HydrophobicContact CD1-CD1 4.25Å; F182-L192 HydrophobicContact CD2-CD1 4.3Å; F182-L192 HydrophobicContact CE1-CB 3.69Å; F182-L192 HydrophobicContact CE1-CD1 3.84Å; F182-L192 HydrophobicContact CE1-CG 4.33Å; F182-L192 HydrophobicContact CE2-CD1 3.9Å; F182-L192 HydrophobicContact CG-CD1 4.47Å; F182-L192 HydrophobicContact CZ-CB 4.34Å; F182-L192 HydrophobicContact CZ-CD1 3.65Å; L192-H194 WeakPolarHBondContact CD1-O 3.23Å
193	V	87	Confident	87.3	Confident	26 Å²	26	68.2 Å²	68.2	16%	0.158	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-47	178	-178.7	0	0	0	0	110.2	I181 R183 Q191 V212 S216 L217	I181-V193 HydrophobicContact CG2-CB 4.46Å; I181-V193 WeakPolarHBondContact O-CB 3.43Å; I181-V193 PolarHBondContact O-N 3.32Å; R183-V193 HydrophobicContact CB-CG2 3.71Å; Q191-V193 PolarHBondContact O-N 3.18Å; V193-V212 HydrophobicContact CG1-CB 4.27Å; V193-V212 HydrophobicContact CG1-CG1 3.98Å; V193-S216 WeakPolarHBondContact CG2-O 3.12Å; V193-L217 HydrophobicContact CG1-CB 4.42Å; V193-L217 HydrophobicContact CG1-CD1 4.02Å
194	H	92.6	Very high	87.6	Confident	47 Å²	47	70.6 Å²	70.6	22%	0.218	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.6	-176.6	-169.4	72.1	0	0	0	111.9	E180 I181 L192 F210 V212	E180-H194 WeakPolarHBondContact CA-O 3.43Å; I181-H194 PolarHBondContact N-O 2.97Å; I181-H194 PolarHBondContact O-N 3.34Å; L192-H194 WeakPolarHBondContact CD1-O 3.23Å; H194-F210 HydrophobicContact CB-CD2 4.17Å; H194-F210 HydrophobicContact CB-CE2 3.92Å; H194-F210 AromaticContact CD2-CD1 3.56Å; H194-F210 AromaticContact CD2-CD2 3.4Å; H194-F210 VanDerWaalsContact CD2-CD2 3.4Å; H194-F210 WeakPolarHBondContact CD2-CD2 3.41Å; H194-F210 AromaticContact CD2-CE1 3.7Å; H194-F210 AromaticContact CD2-CE2 3.57Å; H194-F210 AromaticContact CD2-CG 3.4Å; H194-F210 VanDerWaalsContact CD2-CG 3.4Å; H194-F210 WeakPolarHBondContact CD2-CG 3.4Å; H194-F210 AromaticContact CD2-CZ 3.72Å; H194-F210 VanDerWaalsContact CE1-CB 3.44Å; H194-F210 WeakPolarHBondContact CE1-CB 3.48Å; H194-F210 AromaticContact CE1-CD2 3.81Å; H194-F210 AromaticContact CE1-CG 3.6Å; H194-F210 AromaticContact CG-CD2 3.48Å; H194-F210 VanDerWaalsContact CG-CD2 3.48Å; H194-F210 AromaticContact CG-CE2 3.65Å; H194-F210 AromaticContact CG-CG 3.91Å; H194-F210 AromaticContact ND1-CD2 3.73Å; H194-F210 WeakPolarHBondContact NE2-CB 3.45Å; H194-F210 AromaticContact NE2-CD1 3.47Å; H194-F210 WeakPolarHBondContact NE2-CD1 3.49Å; H194-F210 AromaticContact NE2-CD2 3.64Å; H194-F210 AromaticContact NE2-CG 3.2Å; H194-F210 WeakPolarHBondContact NE2-CG 3.48Å; H194-V212 HydrophobicContact CB-CG1 4.09Å
195	R	93.2	Very high	88	Confident	133 Å²	133	68.4 Å²	68.4	50%	0.502	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.9	169.7	179.3	-172.4	-67.3	161.2	-2.4	108.5	F178 L179 E180	F178-R195 HydrophobicContact CD2-CG 3.88Å; F178-R195 HydrophobicContact CE2-CG 4.27Å; L179-R195 WeakPolarHBondContact O-CA 3.42Å; E180-R195 HydrophobicContact CG-CB 4.27Å; E180-R195 HydrophobicContact CG-CG 3.97Å; E180-R195 IonicContact OE1-CZ 3.12Å; E180-R195 IonicContact OE1-NE 2.79Å; E180-R195 PolarHBondContact OE1-NE 3.41Å; E180-R195 IonicContact OE1-NH2 2.65Å; E180-R195 PolarHBondContact OE1-NH2 3.37Å
196	T	93.4	Very high	89	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.055	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-75.6	170.4	177.4	67.6	0	0	0	0	111.9	L179 W207 F210	L179-T196 HydrophobicContact CB-CG2 3.9Å; L179-T196 HydrophobicContact CD2-CG2 4.43Å; L179-T196 HydrophobicContact CG-CG2 4.5Å; L179-T196 PolarHBondContact N-OG1 2.77Å; L179-T196 PolarHBondContact O-N 3.07Å; T196-W207 HydrophobicContact CG2-CB 4.06Å; T196-W207 HydrophobicContact CG2-CD2 4.4Å; T196-W207 HydrophobicContact CG2-CG 4Å; T196-W207 VanDerWaalsContact OG1-CD1 3.3Å; T196-W207 PolarHBondContact OG1-NE1 3.02Å; T196-F210 HydrophobicContact CG2-CE1 4.33Å
197	E	92.4	Very high	89.9	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.332	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-65.5	161.7	165	79	-69.5	172.8	0	0	112.5	I199 W207 E208	E197-I199 HydrophobicContact CG-CG1 4.44Å; E197-W207 VanDerWaalsContact O-CD1 3.29Å; E197-W207 PolarHBondContact O-NE1 3.05Å; E197-W207 WeakPolarHBondContact OE1-CA 3.44Å; E197-E208 PolarHBondContact OE1-N 2.63Å
198	V	91.9	Very high	90.6	Very high	54 Å²	54	65.9 Å²	65.9	33%	0.327	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-90.1	124.3	175.8	176	0	0	0	0	109.2	D176 F178 Y233	D176-V198 HydrophobicContact CB-CG1 3.85Å; F178-V198 HydrophobicContact CB-CG2 4.05Å; F178-V198 HydrophobicContact CD1-CG2 3.94Å; F178-V198 HydrophobicContact CG-CG2 4.2Å; V198-Y233 HydrophobicContact CG1-CD1 4.24Å; V198-Y233 HydrophobicContact CG1-CG 3.95Å; V198-Y233 HydrophobicContact CG2-CD2 3.98Å; V198-Y233 HydrophobicContact CG2-CG 3.97Å
199	I	92.1	Very high	91.4	Very high	31 Å²	31	66.3 Å²	66.3	16%	0.159	34%	0.335	C	S	.	.			trans	-103.2	113.6	176.5	-58.4	-169.3	0	0	0	109.6	D176 P177 E197 N202 P205 V206 W207	D176-I199 CarbonylContact C-O 3.59Å; D176-I199 VanDerWaalsContact CA-O 3.28Å; D176-I199 WeakPolarHBondContact CA-O 3.46Å; P177-I199 WeakPolarHBondContact CD-O 3.3Å; P177-I199 PolarHBondContact O-N 3.01Å; P177-I199 VanDerWaalsContact O-N 3.16Å; E197-I199 HydrophobicContact CG-CG1 4.44Å; I199-N202 HydrophobicContact CG2-CB 3.75Å; I199-P205 HydrophobicContact CB-CB 4.13Å; I199-P205 HydrophobicContact CD1-CB 3.76Å; I199-P205 HydrophobicContact CG1-CB 4.32Å; I199-P205 HydrophobicContact CG2-CB 4.43Å; I199-V206 WeakPolarHBondContact CD1-O 3.37Å; I199-W207 HydrophobicContact CD1-CG 4.27Å
200	K	91.6	Very high	92	Very high	151 Å²	151	63.8 Å²	63.8	66%	0.657	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	141.7	-173.6	-61.7	-174.3	179.1	-177.9	0	113.5	D176 N202	D176-K200 WeakPolarHBondContact OD1-CA 3.07Å; K200-N202 PolarHBondContact O-N 2.86Å
201	N	92.2	Very high	92.2	Very high	85 Å²	85	65.2 Å²	65.2	46%	0.455	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	45.1	171	-76.6	-82.6	0	0	0	114.1	S173 K174 S175 D176	S173-N201 WeakPolarHBondContact CB-OD1 3.34Å; K174-N201 HydrophobicContact CB-CB 4.44Å; K174-N201 PolarHBondContact N-OD1 2.82Å; K174-N201 WeakPolarHBondContact O-CA 3.23Å; K174-N201 PolarHBondContact O-OD1 2.84Å; S175-N201 PolarHBondContact O-N 2.79Å; D176-N201 PolarHBondContact OD1-N 2.8Å
202	N	93.6	Very high	92.6	Very high	50 Å²	50	61.7 Å²	61.7	27%	0.267	31%	0.307	S	S	.	.			trans	-143.1	113.4	-170.8	-164.9	-10.3	0	0	0	113.7	S175 P177 I199 K200 N204	S175-N202 PolarHBondContact O-N 3.15Å; P177-N202 WeakPolarHBondContact CD-O 3.43Å; P177-N202 WeakPolarHBondContact CG-O 3.39Å; I199-N202 HydrophobicContact CG2-CB 3.75Å; K200-N202 PolarHBondContact O-N 2.86Å; N202-N204 VanDerWaalsContact C-N 3.3Å; N202-N204 PolarHBondContact O-N 2.64Å; N202-N204 WeakPolarHBondContact OD1-CA 3.34Å; N202-N204 PolarHBondContact OD1-N 3.12Å; N202-N204 PolarHBondContact OD1-O 2.92Å
203	L	95.5	Very high	92.4	Very high	32 Å²	32	60.1 Å²	60.1	17%	0.168	30%	0.302	C	S	.	.	S	Bend	trans	-85.6	0.6	174.6	-53.5	-179.1	0	0	0	113.7	K165 L166 D168 K174 P205	K165-L203 PolarHBondContact N-O 3.25Å; L166-L203 HydrophobicContact CB-CB 4.49Å; L166-L203 PolarHBondContact N-O 2.92Å; D168-L203 HydrophobicContact CB-CD1 4.18Å; D168-L203 HydrophobicContact CB-CD2 4.17Å; K174-L203 HydrophobicContact CB-CD2 4.2Å; K174-L203 HydrophobicContact CB-CG 4.25Å; K174-L203 HydrophobicContact CD-CG 4.25Å; K174-L203 HydrophobicContact CG-CG 4.32Å; L203-P205 VanDerWaalsContact C-CD 3.45Å
204	N	97.8	Very high	92.2	Very high	79 Å²	79	59 Å²	59	42%	0.422	30%	0.296	S	S	.	.	S	Bend	trans	-132.8	58.2	176.1	-48.6	-88.3	0	0	0	110.5	A163 K164 K165 N202	A163-N204 CarbonylContact O-C 3.58Å; A163-N204 VanDerWaalsContact O-C 3.3Å; A163-N204 WeakPolarHBondContact O-CA 3.04Å; K164-N204 WeakPolarHBondContact CA-OD1 3.23Å; K165-N204 PolarHBondContact N-OD1 2.72Å; N202-N204 VanDerWaalsContact C-N 3.3Å; N202-N204 PolarHBondContact O-N 2.64Å; N202-N204 WeakPolarHBondContact OD1-CA 3.34Å; N202-N204 PolarHBondContact OD1-N 3.12Å; N202-N204 PolarHBondContact OD1-O 2.92Å
205	P	97.2	Very high	91.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.			trans	-63.9	144.6	-176.4	29.8	-37.8	0	0	0	111.5	C162 A163 L166 P177 I199 L203 W207	C162-P205 CarbonylContact C-O 3.6Å; C162-P205 WeakPolarHBondContact CA-O 3.37Å; C162-P205 VanDerWaalsContact CB-O 3.25Å; C162-P205 WeakPolarHBondContact CB-O 3.12Å; A163-P205 HydrophobicContact CB-CG 3.86Å; A163-P205 PolarHBondContact N-O 2.81Å; L166-P205 HydrophobicContact CD1-CG 3.76Å; P177-P205 HydrophobicContact CB-CG 4.23Å; P177-P205 HydrophobicContact CG-CB 3.84Å; P177-P205 HydrophobicContact CG-CG 3.57Å; I199-P205 HydrophobicContact CB-CB 4.13Å; I199-P205 HydrophobicContact CD1-CB 3.76Å; I199-P205 HydrophobicContact CG1-CB 4.32Å; I199-P205 HydrophobicContact CG2-CB 4.43Å; L203-P205 VanDerWaalsContact C-CD 3.45Å; P205-W207 HydrophobicContact CB-CD2 4.37Å; P205-W207 HydrophobicContact CB-CH2 4.49Å; P205-W207 HydrophobicContact CB-CZ2 3.95Å; P205-W207 HydrophobicContact CG-CH2 3.7Å; P205-W207 HydrophobicContact CG-CZ2 3.48Å; P205-W207 VanDerWaalsContact CG-CZ2 3.48Å; P205-W207 HydrophobicContact CG-CZ3 4.32Å
206	V	97.4	Very high	91	Very high	101 Å²	101	56.2 Å²	56.2	61%	0.612	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-119.2	108.4	165	179.8	0	0	0	0	105.3	C162 I199	C162-V206 HydrophobicContact CB-CB 4.25Å; C162-V206 HydrophobicContact CB-CG1 4.37Å; C162-V206 HydrophobicContact CB-CG2 3.86Å; I199-V206 WeakPolarHBondContact CD1-O 3.37Å
207	W	96.5	Very high	90.6	Very high	6 Å²	6	55.8 Å²	55.8	2%	0.023	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-83	154.5	-177.8	-61.5	-75.4	0	0	0	111.3	F161 A163 P177 L179 T196 E197 I199 P205	F161-W207 HydrophobicContact CB-CE3 3.84Å; F161-W207 HydrophobicContact CB-CZ3 4.25Å; F161-W207 PolarHBondContact O-N 2.79Å; F161-W207 VanDerWaalsContact O-N 3.07Å; A163-W207 HydrophobicContact CB-CH2 3.76Å; A163-W207 HydrophobicContact CB-CZ3 3.99Å; P177-W207 HydrophobicContact CB-CZ2 4.31Å; P177-W207 PolarHBondContact O-NE1 3.32Å; L179-W207 HydrophobicContact CB-CH2 4.17Å; L179-W207 HydrophobicContact CB-CZ2 4.18Å; L179-W207 HydrophobicContact CB-CZ3 4.39Å; L179-W207 HydrophobicContact CD2-CZ3 4.44Å; T196-W207 HydrophobicContact CG2-CB 4.06Å; T196-W207 HydrophobicContact CG2-CD2 4.4Å; T196-W207 HydrophobicContact CG2-CG 4Å; T196-W207 VanDerWaalsContact OG1-CD1 3.3Å; T196-W207 PolarHBondContact OG1-NE1 3.02Å; E197-W207 VanDerWaalsContact O-CD1 3.29Å; E197-W207 PolarHBondContact O-NE1 3.05Å; E197-W207 WeakPolarHBondContact OE1-CA 3.44Å; I199-W207 HydrophobicContact CD1-CG 4.27Å; P205-W207 HydrophobicContact CB-CD2 4.37Å; P205-W207 HydrophobicContact CB-CH2 4.49Å; P205-W207 HydrophobicContact CB-CZ2 3.95Å; P205-W207 HydrophobicContact CG-CH2 3.7Å; P205-W207 HydrophobicContact CG-CZ2 3.48Å; P205-W207 VanDerWaalsContact CG-CZ2 3.48Å; P205-W207 HydrophobicContact CG-CZ3 4.32Å
208	E	91.8	Very high	90.2	Very high	134 Å²	134	52.5 Å²	52.5	63%	0.626	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-61.3	143.5	175.3	-69.7	-62.3	146.9	0	0	111.1	E197	E197-E208 PolarHBondContact OE1-N 2.63Å
209	P	93.6	Very high	89.5	Confident	63 Å²	63	52.1 Å²	52.1	41%	0.409	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.2	173.7	-21.1	32.3	0	0	0	111.6	E158 L159	E158-P209 HydrophobicContact CG-CB 4.21Å; L159-P209 WeakPolarHBondContact O-CA 3.37Å
210	F	91.9	Very high	88.5	Confident	14 Å²	14	53 Å²	53	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.5	178.6	65	-93.2	0	0	0	112.3	E158 L159 F161 I181 H194 T196 V212	E158-F210 CarbonylContact C-O 3.58Å; E158-F210 VanDerWaalsContact CA-O 3.31Å; E158-F210 WeakPolarHBondContact CA-O 3.19Å; L159-F210 HydrophobicContact CB-CE1 4.17Å; L159-F210 HydrophobicContact CB-CE2 4.05Å; L159-F210 HydrophobicContact CB-CZ 3.8Å; L159-F210 HydrophobicContact CD1-CE2 3.9Å; L159-F210 HydrophobicContact CD1-CZ 4Å; L159-F210 HydrophobicContact CG-CE2 4.48Å; L159-F210 PolarHBondContact N-O 2.91Å; L159-F210 PolarHBondContact O-N 3.5Å; L159-F210 VanDerWaalsContact O-N 3.08Å; F161-F210 AromaticContact CD2-CE1 3.86Å; F161-F210 HydrophobicContact CD2-CE1 3.86Å; F161-F210 HydrophobicContact CD2-CZ 4.05Å; F161-F210 HydrophobicContact CE2-CE1 4.3Å; F161-F210 HydrophobicContact CE2-CZ 4.01Å; I181-F210 HydrophobicContact CD1-CE2 4.3Å; I181-F210 HydrophobicContact CD1-CZ 3.65Å; H194-F210 HydrophobicContact CB-CD2 4.17Å; H194-F210 HydrophobicContact CB-CE2 3.92Å; H194-F210 AromaticContact CD2-CD1 3.56Å; H194-F210 AromaticContact CD2-CD2 3.4Å; H194-F210 VanDerWaalsContact CD2-CD2 3.4Å; H194-F210 WeakPolarHBondContact CD2-CD2 3.41Å; H194-F210 AromaticContact CD2-CE1 3.7Å; H194-F210 AromaticContact CD2-CE2 3.57Å; H194-F210 AromaticContact CD2-CG 3.4Å; H194-F210 VanDerWaalsContact CD2-CG 3.4Å; H194-F210 WeakPolarHBondContact CD2-CG 3.4Å; H194-F210 AromaticContact CD2-CZ 3.72Å; H194-F210 VanDerWaalsContact CE1-CB 3.44Å; H194-F210 WeakPolarHBondContact CE1-CB 3.48Å; H194-F210 AromaticContact CE1-CD2 3.81Å; H194-F210 AromaticContact CE1-CG 3.6Å; H194-F210 AromaticContact CG-CD2 3.48Å; H194-F210 VanDerWaalsContact CG-CD2 3.48Å; H194-F210 AromaticContact CG-CE2 3.65Å; H194-F210 AromaticContact CG-CG 3.91Å; H194-F210 AromaticContact ND1-CD2 3.73Å; H194-F210 WeakPolarHBondContact NE2-CB 3.45Å; H194-F210 AromaticContact NE2-CD1 3.47Å; H194-F210 WeakPolarHBondContact NE2-CD1 3.49Å; H194-F210 AromaticContact NE2-CD2 3.64Å; H194-F210 AromaticContact NE2-CG 3.2Å; H194-F210 WeakPolarHBondContact NE2-CG 3.48Å; T196-F210 HydrophobicContact CG2-CE1 4.33Å; F210-V212 HydrophobicContact CD2-CG1 3.92Å; F210-V212 HydrophobicContact CE2-CG1 4.03Å; F210-V212 HydrophobicContact CE2-CG2 4.3Å
211	K	89.9	Confident	88	Confident	121 Å²	121	49 Å²	49	53%	0.526	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134	-180	-65.3	179.7	177.4	-169.2	0	111.1	Y156 V157 E158	Y156-K211 HydrophobicContact CD2-CB 4.1Å; Y156-K211 HydrophobicContact CD2-CD 3.98Å; Y156-K211 HydrophobicContact CD2-CG 4.04Å; Y156-K211 HydrophobicContact CE2-CD 3.55Å; Y156-K211 HydrophobicContact CE2-CG 4.01Å; Y156-K211 PolarHBondContact OH-NZ 3.02Å; V157-K211 WeakPolarHBondContact O-CA 3.26Å; E158-K211 HydrophobicContact CB-CG 4.17Å; E158-K211 HydrophobicContact CG-CG 4.26Å
212	V	86.9	Confident	87.8	Confident	12 Å²	12	48.2 Å²	48.2	7%	0.073	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.2	174.5	-70.8	0	0	0	0	110.5	Y156 V157 L159 V193 H194 F210 L217	Y156-V212 CarbonylContact C-O 3.48Å; Y156-V212 VanDerWaalsContact CA-O 3.26Å; Y156-V212 WeakPolarHBondContact CA-O 3.46Å; Y156-V212 WeakPolarHBondContact CB-O 3.36Å; V157-V212 HydrophobicContact CG1-CG2 3.65Å; V157-V212 PolarHBondContact N-O 2.87Å; V157-V212 PolarHBondContact O-N 3.35Å; L159-V212 HydrophobicContact CD1-CG2 4.13Å; V193-V212 HydrophobicContact CG1-CB 4.27Å; V193-V212 HydrophobicContact CG1-CG1 3.98Å; H194-V212 HydrophobicContact CB-CG1 4.09Å; F210-V212 HydrophobicContact CD2-CG1 3.92Å; F210-V212 HydrophobicContact CE2-CG1 4.03Å; F210-V212 HydrophobicContact CE2-CG2 4.3Å; V212-L217 HydrophobicContact CG2-CB 4.19Å; V212-L217 HydrophobicContact CG2-CD1 4.23Å; V212-L217 HydrophobicContact CG2-CD2 4.23Å; V212-L217 HydrophobicContact CG2-CG 4.45Å
213	S	82.4	Confident	87.7	Confident	43 Å²	43	50.3 Å²	50.3	30%	0.301	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.9	174.7	63	0	0	0	0	111.1	I215 S216 L217	S213-I215 PolarHBondContact O-N 3.08Å; S213-S216 PolarHBondContact O-N 3.21Å; S213-S216 VanDerWaalsContact O-N 3.1Å; S213-S216 WeakPolarHBondContact OG-CB 3.36Å; S213-S216 PolarHBondContact OG-N 3.33Å; S213-S216 PolarHBondContact OG-OG 3.25Å; S213-L217 WeakPolarHBondContact O-CB 3.22Å; S213-L217 PolarHBondContact O-N 3.22Å
214	L	82.4	Confident	87.4	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-32.6	177	-72.2	177.8	0	0	0	112.3	N153 G155 C218 S219 C220 F249 L290	N153-L214 WeakPolarHBondContact ND2-CD1 3.32Å; G155-L214 PolarHBondContact O-N 3.01Å; L214-C218 PolarHBondContact O-N 3.24Å; L214-C218 PolarHBondContact O-SG 3.06Å; L214-S219 PolarHBondContact O-N 3.36Å; L214-S219 VanDerWaalsContact O-N 3.15Å; L214-C220 PolarHBondContact O-N 3.32Å; L214-F249 HydrophobicContact CD2-CD1 4.16Å; L214-F249 HydrophobicContact CD2-CE1 3.6Å; L214-F249 HydrophobicContact CD2-CE2 4.05Å; L214-F249 HydrophobicContact CD2-CZ 3.56Å; L214-L290 HydrophobicContact CD1-CD1 3.91Å; L214-L290 HydrophobicContact CD2-CD1 4.21Å; L214-L290 HydrophobicContact CG-CD1 4.3Å
215	I	79.5	Confident	87.3	Confident	71 Å²	71	53 Å²	53	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-47.5	173.1	-65.9	170.4	0	0	0	110.6	N154 R183 S213 S219 C220	N154-I215 WeakPolarHBondContact OD1-CD1 3.27Å; R183-I215 PolarHBondContact NH1-O 3.34Å; R183-I215 VanDerWaalsContact NH1-O 3.08Å; S213-I215 PolarHBondContact O-N 3.08Å; I215-S219 VanDerWaalsContact O-CA 3.24Å; I215-S219 WeakPolarHBondContact O-CA 3.49Å; I215-S219 PolarHBondContact O-N 2.98Å; I215-C220 WeakPolarHBondContact CG1-SG 3.43Å
216	S	79.9	Confident	87.3	Confident	50 Å²	50	53 Å²	53	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-69.6	-40.4	179.2	-61.9	0	0	0	0	111.7	V193 S213	V193-S216 WeakPolarHBondContact CG2-O 3.12Å; S213-S216 PolarHBondContact O-N 3.21Å; S213-S216 VanDerWaalsContact O-N 3.1Å; S213-S216 WeakPolarHBondContact OG-CB 3.36Å; S213-S216 PolarHBondContact OG-N 3.33Å; S213-S216 PolarHBondContact OG-OG 3.25Å
217	L	86.9	Confident	87.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-56.3	-178.3	-176.8	63.7	0	0	0	111.4	V157 L159 I181 R183 V193 V212 S213 L226 F249	V157-L217 HydrophobicContact CG1-CD2 3.62Å; L159-L217 HydrophobicContact CD1-CD2 4.38Å; I181-L217 HydrophobicContact CG2-CD1 4.44Å; R183-L217 WeakPolarHBondContact CG-O 3.46Å; V193-L217 HydrophobicContact CG1-CB 4.42Å; V193-L217 HydrophobicContact CG1-CD1 4.02Å; V212-L217 HydrophobicContact CG2-CB 4.19Å; V212-L217 HydrophobicContact CG2-CD1 4.23Å; V212-L217 HydrophobicContact CG2-CD2 4.23Å; V212-L217 HydrophobicContact CG2-CG 4.45Å; S213-L217 WeakPolarHBondContact O-CB 3.22Å; S213-L217 PolarHBondContact O-N 3.22Å; L217-L226 HydrophobicContact CD1-CD1 3.7Å; L217-L226 HydrophobicContact CD1-CD2 4.29Å; L217-L226 HydrophobicContact CG-CD1 4.12Å; L217-L226 WeakPolarHBondContact O-CD2 3.4Å; L217-F249 HydrophobicContact CD2-CD2 3.74Å; L217-F249 HydrophobicContact CD2-CE2 4.21Å; L217-F249 HydrophobicContact CD2-CG 4.45Å
218	C	83.9	Confident	87.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-139	12.9	-169.1	67	0	0	0	0	114.4	L214 C220 D221 R224 F249	L214-C218 PolarHBondContact O-N 3.24Å; L214-C218 PolarHBondContact O-SG 3.06Å; C218-C220 PolarHBondContact O-N 3.21Å; C218-D221 VanDerWaalsContact CB-O 3.27Å; C218-D221 WeakPolarHBondContact CB-O 3.39Å; C218-D221 PolarHBondContact O-N 3.36Å; C218-R224 HydrophobicContact CB-CB 4.19Å; C218-R224 VanDerWaalsContact O-CD 3.29Å; C218-R224 WeakPolarHBondContact O-CD 3.47Å; C218-R224 PolarHBondContact O-NE 2.7Å; C218-F249 HydrophobicContact CB-CB 4.46Å
219	S	76.6	Confident	87.5	Confident	47 Å²	47	43.5 Å²	43.5	33%	0.329	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.9	-174	-55.2	0	0	0	0	112.4	R183 L214 I215 D221	R183-S219 PolarHBondContact NH1-OG 3.22Å; R183-S219 VanDerWaalsContact NH1-OG 3.16Å; L214-S219 PolarHBondContact O-N 3.36Å; L214-S219 VanDerWaalsContact O-N 3.15Å; I215-S219 VanDerWaalsContact O-CA 3.24Å; I215-S219 WeakPolarHBondContact O-CA 3.49Å; I215-S219 PolarHBondContact O-N 2.98Å; S219-D221 PolarHBondContact O-N 3.31Å; S219-D221 VanDerWaalsContact O-N 3.1Å
220	C	71.5	Confident	87.7	Confident	48 Å²	48	40.5 Å²	40.5	32%	0.324	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	10.5	-174	-54.6	0	0	0	0	115.4	N153 L214 I215 C218	N153-C220 HydrophobicContact CB-CB 4.3Å; N153-C220 PolarHBondContact O-SG 3Å; L214-C220 PolarHBondContact O-N 3.32Å; I215-C220 WeakPolarHBondContact CG1-SG 3.43Å; C218-C220 PolarHBondContact O-N 3.21Å
221	D	81.4	Confident	87.9	Confident	68 Å²	68	42.7 Å²	42.7	36%	0.364	22%	0.217	S	C	.	.			trans	-97.5	106.9	172.3	173.8	6.2	0	0	0	109.2	C218 S219 E223 R224	C218-D221 VanDerWaalsContact CB-O 3.27Å; C218-D221 WeakPolarHBondContact CB-O 3.39Å; C218-D221 PolarHBondContact O-N 3.36Å; S219-D221 PolarHBondContact O-N 3.31Å; S219-D221 VanDerWaalsContact O-N 3.1Å; D221-E223 PolarHBondContact O-N 3.05Å; D221-E223 VanDerWaalsContact O-N 3.17Å; D221-E223 PolarHBondContact OD1-N 3.46Å; D221-R224 HydrophobicContact CB-CB 4.08Å; D221-R224 VanDerWaalsContact O-CB 3.28Å; D221-R224 WeakPolarHBondContact O-CB 3.41Å; D221-R224 PolarHBondContact O-N 3.44Å; D221-R224 VanDerWaalsContact O-N 3.09Å
222	E	87.1	Confident	88.1	Confident	68 Å²	68	37 Å²	37	32%	0.318	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.9	-175.7	-53.1	-173.1	148.7	0	0	113.7	T248 F249 R250 Q253	E222-T248 WeakPolarHBondContact O-CB 3.45Å; E222-F249 HydrophobicContact CB-CD1 4.4Å; E222-F249 HydrophobicContact CG-CD1 4.1Å; E222-F249 PolarHBondContact O-N 3.48Å; E222-R250 HydrophobicContact CB-CB 4.05Å; E222-R250 WeakPolarHBondContact O-CB 3.15Å; E222-R250 PolarHBondContact O-N 2.85Å; E222-R250 IonicContact OE2-NE 3.76Å; E222-R250 IonicContact OE2-NH2 3.07Å; E222-Q253 PolarHBondContact OE1-NE2 3.34Å; E222-Q253 PolarHBondContact OE1-OE1 3.42Å
223	E	91.1	Very high	88.1	Confident	94 Å²	94	40.7 Å²	40.7	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.7	178.8	-66.4	-72.6	-167.3	0	0	112.9	D221 K225 T248 R250	D221-E223 PolarHBondContact O-N 3.05Å; D221-E223 VanDerWaalsContact O-N 3.17Å; D221-E223 PolarHBondContact OD1-N 3.46Å; E223-K225 PolarHBondContact O-N 2.65Å; E223-T248 WeakPolarHBondContact O-CG2 3.45Å; E223-R250 WeakPolarHBondContact OE1-CD 3.5Å; E223-R250 IonicContact OE1-CZ 3.9Å; E223-R250 IonicContact OE1-NE 3.84Å; E223-R250 PolarHBondContact OE1-NE 2.58Å; E223-R250 IonicContact OE1-NH1 3.2Å; E223-R250 PolarHBondContact OE1-NH1 3.28Å
224	R	89.4	Confident	88.2	Confident	29 Å²	29	41.4 Å²	41.4	11%	0.109	21%	0.206	C	C	.	.			trans	-61.4	130.4	179.1	-171.7	168.2	-66.6	-93.8	-2.6	110.4	R183 M184 D186 C218 D221	R183-R224 HydrophobicContact CG-CG 4.3Å; M184-R224 PolarHBondContact O-NH1 2.67Å; M184-R224 VanDerWaalsContact O-NH1 3.12Å; D186-R224 IonicContact OD1-CZ 2.65Å; D186-R224 IonicContact OD1-NH1 3.87Å; D186-R224 PolarHBondContact OD1-NH1 2.93Å; D186-R224 IonicContact OD1-NH2 3.29Å; D186-R224 PolarHBondContact OD1-NH2 2.86Å; D186-R224 IonicContact OD2-NH1 2.88Å; D186-R224 IonicContact OD2-NH2 3.22Å; D186-R224 PolarHBondContact OD2-NH2 3.03Å; C218-R224 HydrophobicContact CB-CB 4.19Å; C218-R224 VanDerWaalsContact O-CD 3.29Å; C218-R224 WeakPolarHBondContact O-CD 3.47Å; C218-R224 PolarHBondContact O-NE 2.7Å; D221-R224 HydrophobicContact CB-CB 4.08Å; D221-R224 VanDerWaalsContact O-CB 3.28Å; D221-R224 WeakPolarHBondContact O-CB 3.41Å; D221-R224 PolarHBondContact O-N 3.44Å; D221-R224 VanDerWaalsContact O-N 3.09Å
225	K	95.7	Very high	87.8	Confident	138 Å²	138	45.6 Å²	45.6	60%	0.6	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.1	-179.3	-71.5	-176.8	-179.7	175.9	0	111.3	M184 E223	M184-K225 HydrophobicContact CB-CB 4.36Å; M184-K225 WeakPolarHBondContact CB-O 3.19Å; M184-K225 HydrophobicContact CG-CB 4.04Å; M184-K225 WeakPolarHBondContact CG-O 3.46Å; M184-K225 PolarHBondContact N-O 3.17Å; M184-K225 VanDerWaalsContact N-O 3.11Å; E223-K225 PolarHBondContact O-N 2.65Å
226	L	96.8	Very high	87.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.1	169.1	-53	178.5	0	0	0	108.5	I181 F182 R183 L217 Y246 A247 M252	I181-L226 HydrophobicContact CG2-CB 4.41Å; F182-L226 CarbonylContact O-C 3.49Å; F182-L226 VanDerWaalsContact O-CA 3.27Å; F182-L226 WeakPolarHBondContact O-CA 3.43Å; R183-L226 HydrophobicContact CB-CD2 4.38Å; R183-L226 HydrophobicContact CG-CD2 4.47Å; L217-L226 HydrophobicContact CD1-CD1 3.7Å; L217-L226 HydrophobicContact CD1-CD2 4.29Å; L217-L226 HydrophobicContact CG-CD1 4.12Å; L217-L226 WeakPolarHBondContact O-CD2 3.4Å; L226-Y246 VanDerWaalsContact O-CA 3.27Å; L226-Y246 WeakPolarHBondContact O-CA 3.38Å; L226-A247 WeakPolarHBondContact CB-O 3.36Å; L226-A247 PolarHBondContact N-O 2.89Å; L226-A247 PolarHBondContact O-N 3.35Å; L226-M252 HydrophobicContact CD1-CE 3.64Å; L226-M252 HydrophobicContact CD1-SD 4.35Å
227	K	96.9	Very high	86.8	Confident	29 Å²	29	53.2 Å²	53.2	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.3	174.3	178.8	-178.5	176.1	-165.6	0	108.5	F182 M184 E190 L229 Y246	F182-K227 HydrophobicContact CB-CB 4.32Å; F182-K227 PolarHBondContact N-O 3.02Å; F182-K227 PolarHBondContact O-N 2.78Å; M184-K227 HydrophobicContact SD-CB 4.07Å; M184-K227 HydrophobicContact SD-CD 4.35Å; E190-K227 WeakPolarHBondContact OE1-CD 3.38Å; E190-K227 IonicContact OE1-NZ 2.88Å; E190-K227 PolarHBondContact OE1-NZ 3.25Å; E190-K227 IonicContact OE2-NZ 3.19Å; E190-K227 PolarHBondContact OE2-NZ 3.12Å; K227-L229 HydrophobicContact CG-CD2 4.16Å; K227-Y246 HydrophobicContact CB-CD1 4.14Å; K227-Y246 HydrophobicContact CB-CE1 3.86Å; K227-Y246 HydrophobicContact CD-CE1 4.21Å; K227-Y246 HydrophobicContact CG-CD1 4.46Å; K227-Y246 HydrophobicContact CG-CE1 3.86Å
228	C	97.6	Very high	86.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.4	-174.7	-62	0	0	0	0	109.9	L179 E180 E244 F245	L179-C228 HydrophobicContact CD1-CB 4.12Å; E180-C228 CarbonylContact O-C 3.57Å; E180-C228 VanDerWaalsContact O-CA 3.27Å; E180-C228 WeakPolarHBondContact O-CA 3.48Å; C228-E244 CarbonylContact O-C 3.5Å; C228-E244 VanDerWaalsContact O-CA 3.24Å; C228-E244 WeakPolarHBondContact O-CA 3.33Å; C228-F245 HydrophobicContact CB-CD1 3.66Å; C228-F245 HydrophobicContact CB-CD2 3.89Å; C228-F245 HydrophobicContact CB-CE1 3.25Å; C228-F245 HydrophobicContact CB-CE2 3.53Å; C228-F245 HydrophobicContact CB-CG 3.97Å; C228-F245 HydrophobicContact CB-CZ 3.19Å; C228-F245 PolarHBondContact N-O 3.39Å; C228-F245 PolarHBondContact O-N 2.73Å
229	L	96.9	Very high	86.4	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.6	-176.4	-53.6	-176.3	0	0	0	110.4	L179 E180 F182 K227 W231 F241 E244	L179-L229 CarbonylContact C-O 3.57Å; L179-L229 WeakPolarHBondContact CA-O 3.32Å; E180-L229 HydrophobicContact CB-CB 4.42Å; E180-L229 PolarHBondContact N-O 3.11Å; E180-L229 PolarHBondContact O-N 3.36Å; F182-L229 HydrophobicContact CD2-CD1 4.26Å; F182-L229 HydrophobicContact CD2-CG 4.37Å; F182-L229 HydrophobicContact CE2-CD1 3.77Å; F182-L229 HydrophobicContact CE2-CG 4.23Å; K227-L229 HydrophobicContact CG-CD2 4.16Å; L229-W231 HydrophobicContact CD1-CZ2 3.96Å; L229-F241 HydrophobicContact CD2-CE2 4.14Å; L229-E244 HydrophobicContact CD2-CB 3.57Å
230	V	97.6	Very high	87	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	173.2	-171.2	0	0	0	0	108.7	L166 P177 L179 I242 G243 V283	L166-V230 HydrophobicContact CD1-CG1 4.08Å; L166-V230 HydrophobicContact CD2-CG1 4.24Å; P177-V230 HydrophobicContact CB-CG1 4.47Å; L179-V230 HydrophobicContact CD1-CG2 4.13Å; V230-I242 HydrophobicContact CB-CB 4.32Å; V230-I242 HydrophobicContact CG1-CB 4.21Å; V230-I242 HydrophobicContact CG1-CD1 4.15Å; V230-I242 HydrophobicContact CG1-CG2 4.49Å; V230-I242 WeakPolarHBondContact O-CB 3.41Å; V230-I242 PolarHBondContact O-N 2.86Å; V230-G243 PolarHBondContact N-O 3.27Å; V230-G243 PolarHBondContact O-N 3.5Å; V230-V283 HydrophobicContact CG2-CG2 3.83Å
231	W	94.4	Very high	88.1	Confident	59 Å²	59	67 Å²	67	22%	0.223	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.6	-175.4	-64.8	101.2	0	0	0	110.7	P177 F178 E180 L229 H239 D240 F241	P177-W231 CarbonylContact C-O 3.49Å; P177-W231 WeakPolarHBondContact CA-O 3.41Å; F178-W231 HydrophobicContact CD1-CB 3.92Å; F178-W231 HydrophobicContact CD2-CB 4.38Å; F178-W231 HydrophobicContact CE1-CB 3.36Å; F178-W231 HydrophobicContact CE1-CG 4.27Å; F178-W231 HydrophobicContact CE2-CB 3.87Å; F178-W231 AromaticContact CE2-CD1 3.71Å; F178-W231 HydrophobicContact CE2-CG 4.04Å; F178-W231 HydrophobicContact CG-CB 4.41Å; F178-W231 HydrophobicContact CZ-CB 3.33Å; F178-W231 AromaticContact CZ-CD1 3.88Å; F178-W231 AromaticContact CZ-CG 3.74Å; F178-W231 HydrophobicContact CZ-CG 3.74Å; F178-W231 PolarHBondContact N-O 2.95Å; F178-W231 PolarHBondContact O-N 3.07Å; E180-W231 PolarHBondContact OE2-NE1 3Å; L229-W231 HydrophobicContact CD1-CZ2 3.96Å; W231-H239 HydrophobicContact CB-CB 4.4Å; W231-H239 HydrophobicContact CE3-CB 4.2Å; W231-D240 CarbonylContact C-O 3.5Å; W231-D240 WeakPolarHBondContact CA-O 3.32Å; W231-F241 HydrophobicContact CD2-CD2 4.14Å; W231-F241 HydrophobicContact CE3-CB 3.92Å; W231-F241 AromaticContact CE3-CD2 3.98Å; W231-F241 HydrophobicContact CE3-CD2 3.98Å; W231-F241 HydrophobicContact CE3-CG 4.46Å; W231-F241 HydrophobicContact CH2-CB 4.11Å; W231-F241 AromaticContact CH2-CD2 3.68Å; W231-F241 HydrophobicContact CH2-CD2 3.68Å; W231-F241 HydrophobicContact CH2-CG 4.26Å; W231-F241 AromaticContact CZ2-CD2 3.88Å; W231-F241 HydrophobicContact CZ2-CD2 3.88Å; W231-F241 HydrophobicContact CZ2-CE2 4.45Å; W231-F241 HydrophobicContact CZ3-CB 3.5Å; W231-F241 VanDerWaalsContact CZ3-CB 3.5Å; W231-F241 AromaticContact CZ3-CD2 3.76Å; W231-F241 HydrophobicContact CZ3-CD2 3.76Å; W231-F241 HydrophobicContact CZ3-CG 4.08Å
232	D	94.3	Very high	88.9	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.5	167.6	179.9	39.9	0	0	0	110	K169 S175 D176 D234 H239 D240 I242	K169-D232 HydrophobicContact CB-CB 4.13Å; K169-D232 VanDerWaalsContact CB-OD2 3.32Å; K169-D232 WeakPolarHBondContact CB-OD2 3.33Å; K169-D232 HydrophobicContact CG-CB 4.01Å; S175-D232 WeakPolarHBondContact CA-OD1 3.26Å; S175-D232 VanDerWaalsContact CB-OD1 3.32Å; S175-D232 WeakPolarHBondContact CB-OD1 3.42Å; D176-D232 PolarHBondContact N-OD1 3.08Å; D232-D234 PolarHBondContact O-N 3.22Å; D232-H239 CarbonylContact O-C 3.51Å; D232-H239 VanDerWaalsContact O-CA 3.25Å; D232-H239 WeakPolarHBondContact O-CA 3.45Å; D232-H239 VanDerWaalsContact O-CB 3.27Å; D232-H239 WeakPolarHBondContact O-CB 3.49Å; D232-D240 HydrophobicContact CB-CB 4.01Å; D232-D240 PolarHBondContact N-O 2.95Å; D232-D240 PolarHBondContact O-N 3.25Å; D232-I242 HydrophobicContact CB-CD1 4.04Å; D232-I242 HydrophobicContact CB-CG1 4.07Å
233	Y	87.7	Confident	89.3	Confident	90 Å²	90	60.6 Å²	60.6	35%	0.353	29%	0.287	S	S	.	.			trans	-79.2	112.3	-176.3	176.6	-92.7	0	0	0	111.9	D176 V198 H239	D176-Y233 WeakPolarHBondContact O-CB 3.47Å; D176-Y233 PolarHBondContact O-N 3.35Å; V198-Y233 HydrophobicContact CG1-CD1 4.24Å; V198-Y233 HydrophobicContact CG1-CG 3.95Å; V198-Y233 HydrophobicContact CG2-CD2 3.98Å; V198-Y233 HydrophobicContact CG2-CG 3.97Å; Y233-H239 AromaticContact CD2-CE1 3.25Å; Y233-H239 WeakPolarHBondContact CD2-CE1 3.48Å; Y233-H239 AromaticContact CD2-ND1 3.71Å; Y233-H239 AromaticContact CD2-NE2 3.94Å; Y233-H239 AromaticContact CE2-CE1 3.43Å; Y233-H239 VanDerWaalsContact CE2-CE1 3.43Å; Y233-H239 WeakPolarHBondContact CE2-CE1 3.46Å
234	D	84.8	Confident	89.7	Confident	59 Å²	59	58.3 Å²	58.3	32%	0.316	28%	0.277	S	S	.	.			trans	-100.3	127.7	165.6	-169.5	-8.6	0	0	0	112	D232 R236 H239	D232-D234 PolarHBondContact O-N 3.22Å; D234-R236 VanDerWaalsContact C-N 3.34Å; D234-R236 PolarHBondContact OD1-N 3.3Å; D234-H239 PolarHBondContact N-ND1 2.97Å
235	S	74.4	Confident	90.1	Very high	91 Å²	91	57.4 Å²	57.4	64%	0.636	27%	0.274	S	S	*	.	S	Bend	trans	-74.4	-18.4	175.7	64	0	0	0	0	114.5
236	R	72.2	Confident	90.1	Very high	234 Å²	234	56 Å²	56	88%	0.883	27%	0.266	S	S	*	.	S	Bend	trans	-112.9	6.4	-172.6	-63.9	-175.3	-179.1	-173.1	0.7	113.7	D234	D234-R236 VanDerWaalsContact C-N 3.34Å; D234-R236 PolarHBondContact OD1-N 3.3Å
237	G	65.9	Low	90.1	Very high	48 Å²	48	56.1 Å²	56.1	50%	0.495	27%	0.266	S	S	.	.	S	Bend	trans	-166.4	-159.4	-172	0	0	0	0	0	115.1
238	K	77.7	Confident	90.1	Very high	194 Å²	194	55.4 Å²	55.4	84%	0.843	26%	0.264	S	S	*	.	S	Bend	trans	-77.4	137.8	169.7	-91.8	-175.9	174	-179.6	0	108.9
239	H	83.6	Confident	89.9	Confident	68 Å²	68	55.5 Å²	55.5	32%	0.315	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-57.3	139.9	173.9	-54	-35.2	0	0	0	111.4	F178 W231 D232 Y233 D234	F178-H239 HydrophobicContact CE1-CB 4.22Å; F178-H239 AromaticContact CE1-CD2 3.93Å; F178-H239 AromaticContact CE1-CG 3.95Å; F178-H239 HydrophobicContact CZ-CB 4.28Å; F178-H239 AromaticContact CZ-CD2 3.59Å; W231-H239 HydrophobicContact CB-CB 4.4Å; W231-H239 HydrophobicContact CE3-CB 4.2Å; D232-H239 CarbonylContact O-C 3.51Å; D232-H239 VanDerWaalsContact O-CA 3.25Å; D232-H239 WeakPolarHBondContact O-CA 3.45Å; D232-H239 VanDerWaalsContact O-CB 3.27Å; D232-H239 WeakPolarHBondContact O-CB 3.49Å; Y233-H239 AromaticContact CD2-CE1 3.25Å; Y233-H239 WeakPolarHBondContact CD2-CE1 3.48Å; Y233-H239 AromaticContact CD2-ND1 3.71Å; Y233-H239 AromaticContact CD2-NE2 3.94Å; Y233-H239 AromaticContact CE2-CE1 3.43Å; Y233-H239 VanDerWaalsContact CE2-CE1 3.43Å; Y233-H239 WeakPolarHBondContact CE2-CE1 3.46Å; D234-H239 PolarHBondContact N-ND1 2.97Å
240	D	91.1	Very high	89.7	Confident	76 Å²	76	60.4 Å²	60.4	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130	-176	-93.4	-34.9	0	0	0	111.1	K169 W231 D232 I242	K169-D240 HydrophobicContact CB-CB 4.19Å; K169-D240 HydrophobicContact CG-CB 4.2Å; W231-D240 CarbonylContact C-O 3.5Å; W231-D240 WeakPolarHBondContact CA-O 3.32Å; D232-D240 HydrophobicContact CB-CB 4.01Å; D232-D240 PolarHBondContact N-O 2.95Å; D232-D240 PolarHBondContact O-N 3.25Å; D240-I242 PolarHBondContact O-N 3.2Å
241	F	94.5	Very high	89.6	Confident	48 Å²	48	63.6 Å²	63.6	21%	0.211	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.8	-176.6	-175.6	-113.6	0	0	0	111.2	K169 L229 W231 G243 E244 N267	K169-F241 WeakPolarHBondContact CE-O 3.27Å; K169-F241 PolarHBondContact NZ-O 3.45Å; L229-F241 HydrophobicContact CD2-CE2 4.14Å; W231-F241 HydrophobicContact CD2-CD2 4.14Å; W231-F241 HydrophobicContact CE3-CB 3.92Å; W231-F241 AromaticContact CE3-CD2 3.98Å; W231-F241 HydrophobicContact CE3-CD2 3.98Å; W231-F241 HydrophobicContact CE3-CG 4.46Å; W231-F241 HydrophobicContact CH2-CB 4.11Å; W231-F241 AromaticContact CH2-CD2 3.68Å; W231-F241 HydrophobicContact CH2-CD2 3.68Å; W231-F241 HydrophobicContact CH2-CG 4.26Å; W231-F241 AromaticContact CZ2-CD2 3.88Å; W231-F241 HydrophobicContact CZ2-CD2 3.88Å; W231-F241 HydrophobicContact CZ2-CE2 4.45Å; W231-F241 HydrophobicContact CZ3-CB 3.5Å; W231-F241 VanDerWaalsContact CZ3-CB 3.5Å; W231-F241 AromaticContact CZ3-CD2 3.76Å; W231-F241 HydrophobicContact CZ3-CD2 3.76Å; W231-F241 HydrophobicContact CZ3-CG 4.08Å; F241-G243 WeakPolarHBondContact CE2-O 3.41Å; F241-G243 VanDerWaalsContact CZ-CA 3.43Å; F241-E244 HydrophobicContact CE2-CB 4.43Å; F241-E244 HydrophobicContact CZ-CB 3.87Å; F241-E244 HydrophobicContact CZ-CG 4.09Å; F241-N267 PolarHBondContact O-ND2 3.2Å
242	I	96.4	Very high	89.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-61.3	173.8	-58.2	-176	0	0	0	109.1	L166 D167 K169 P177 V230 D232 D240 N267 S280	L166-I242 HydrophobicContact CD2-CG2 4.36Å; D167-I242 HydrophobicContact CB-CG2 4.38Å; K169-I242 HydrophobicContact CG-CG1 4.09Å; P177-I242 HydrophobicContact CB-CD1 4.28Å; V230-I242 HydrophobicContact CB-CB 4.32Å; V230-I242 HydrophobicContact CG1-CB 4.21Å; V230-I242 HydrophobicContact CG1-CD1 4.15Å; V230-I242 HydrophobicContact CG1-CG2 4.49Å; V230-I242 WeakPolarHBondContact O-CB 3.41Å; V230-I242 PolarHBondContact O-N 2.86Å; D232-I242 HydrophobicContact CB-CD1 4.04Å; D232-I242 HydrophobicContact CB-CG1 4.07Å; D240-I242 PolarHBondContact O-N 3.2Å; I242-N267 VanDerWaalsContact O-CB 3.32Å; I242-N267 WeakPolarHBondContact O-CB 3.45Å; I242-N267 PolarHBondContact O-ND2 3.15Å; I242-S280 PolarHBondContact O-OG 3.38Å
243	G	97.2	Very high	89.4	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	178.2	178.6	0	0	0	0	0	113.6	V230 F241 C265 V266	V230-G243 PolarHBondContact N-O 3.27Å; V230-G243 PolarHBondContact O-N 3.5Å; F241-G243 WeakPolarHBondContact CE2-O 3.41Å; F241-G243 VanDerWaalsContact CZ-CA 3.43Å; G243-C265 WeakPolarHBondContact CA-SG 3.42Å; G243-V266 CarbonylContact C-O 3.58Å; G243-V266 WeakPolarHBondContact CA-O 3.2Å
244	E	97.8	Very high	89.6	Confident	46 Å²	46	63.6 Å²	63.6	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.3	179.8	60.4	179.4	-149.8	0	0	112	C228 L229 F241 V266 P268	C228-E244 CarbonylContact O-C 3.5Å; C228-E244 VanDerWaalsContact O-CA 3.24Å; C228-E244 WeakPolarHBondContact O-CA 3.33Å; L229-E244 HydrophobicContact CD2-CB 3.57Å; F241-E244 HydrophobicContact CE2-CB 4.43Å; F241-E244 HydrophobicContact CZ-CB 3.87Å; F241-E244 HydrophobicContact CZ-CG 4.09Å; E244-V266 WeakPolarHBondContact CG-O 3.23Å; E244-V266 PolarHBondContact N-O 2.71Å; E244-V266 PolarHBondContact O-N 3.43Å; E244-P268 HydrophobicContact CG-CG 4.31Å
245	F	97.9	Very high	89.8	Confident	10 Å²	10	62.2 Å²	62.2	4%	0.044	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	164.5	165.8	66.5	-82.6	0	0	0	110.2	L179 C228 A247 W263 V283	L179-F245 HydrophobicContact CD1-CE1 4.13Å; L179-F245 HydrophobicContact CD1-CZ 4.45Å; C228-F245 HydrophobicContact CB-CD1 3.66Å; C228-F245 HydrophobicContact CB-CD2 3.89Å; C228-F245 HydrophobicContact CB-CE1 3.25Å; C228-F245 HydrophobicContact CB-CE2 3.53Å; C228-F245 HydrophobicContact CB-CG 3.97Å; C228-F245 HydrophobicContact CB-CZ 3.19Å; C228-F245 PolarHBondContact N-O 3.39Å; C228-F245 PolarHBondContact O-N 2.73Å; F245-A247 HydrophobicContact CD2-CB 4.42Å; F245-A247 HydrophobicContact CE2-CB 4.25Å; F245-W263 HydrophobicContact CB-CB 3.84Å; F245-W263 HydrophobicContact CD1-CB 4.5Å; F245-W263 HydrophobicContact CD2-CB 3.39Å; F245-W263 AromaticContact CD2-CD1 3.9Å; F245-W263 AromaticContact CD2-CD2 3.75Å; F245-W263 HydrophobicContact CD2-CD2 3.75Å; F245-W263 HydrophobicContact CD2-CE3 4.18Å; F245-W263 AromaticContact CD2-CG 3.39Å; F245-W263 HydrophobicContact CD2-CG 3.39Å; F245-W263 HydrophobicContact CE2-CB 4Å; F245-W263 AromaticContact CE2-CD2 3.64Å; F245-W263 HydrophobicContact CE2-CD2 3.64Å; F245-W263 AromaticContact CE2-CE3 3.63Å; F245-W263 HydrophobicContact CE2-CE3 3.63Å; F245-W263 AromaticContact CE2-CG 3.82Å; F245-W263 HydrophobicContact CE2-CG 3.82Å; F245-W263 HydrophobicContact CE2-CZ3 4.3Å; F245-W263 HydrophobicContact CG-CB 3.67Å; F245-W263 HydrophobicContact CG-CG 4.18Å; F245-W263 HydrophobicContact CZ-CE3 4.28Å; F245-V283 HydrophobicContact CD1-CB 4.4Å; F245-V283 HydrophobicContact CD1-CG2 4.26Å; F245-V283 HydrophobicContact CE1-CB 3.76Å; F245-V283 HydrophobicContact CE1-CG1 3.83Å; F245-V283 HydrophobicContact CE1-CG2 3.75Å; F245-V283 HydrophobicContact CZ-CB 4.03Å; F245-V283 HydrophobicContact CZ-CG1 3.74Å; F245-V283 HydrophobicContact CZ-CG2 4.48Å
246	Y	96.9	Very high	89.9	Confident	110 Å²	110	62.4 Å²	62.4	43%	0.431	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.6	174.4	-64.8	-95.7	0	0	0	109.1	L226 K227	L226-Y246 VanDerWaalsContact O-CA 3.27Å; L226-Y246 WeakPolarHBondContact O-CA 3.38Å; K227-Y246 HydrophobicContact CB-CD1 4.14Å; K227-Y246 HydrophobicContact CB-CE1 3.86Å; K227-Y246 HydrophobicContact CD-CE1 4.21Å; K227-Y246 HydrophobicContact CG-CD1 4.46Å; K227-Y246 HydrophobicContact CG-CE1 3.86Å
247	A	96.8	Very high	90.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.2	178.9	0	0	0	0	0	110.4	L226 F245 M252 W263	L226-A247 WeakPolarHBondContact CB-O 3.36Å; L226-A247 PolarHBondContact N-O 2.89Å; L226-A247 PolarHBondContact O-N 3.35Å; F245-A247 HydrophobicContact CD2-CB 4.42Å; F245-A247 HydrophobicContact CE2-CB 4.25Å; A247-M252 HydrophobicContact CB-CE 3.84Å; A247-W263 HydrophobicContact CB-CD2 4.46Å; A247-W263 HydrophobicContact CB-CH2 4.37Å; A247-W263 HydrophobicContact CB-CZ2 3.59Å
248	T	96.6	Very high	90.9	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.086	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.2	165.3	69.4	0	0	0	0	110	E222 E223 R250 E251 M252	E222-T248 WeakPolarHBondContact O-CB 3.45Å; E223-T248 WeakPolarHBondContact O-CG2 3.45Å; T248-R250 PolarHBondContact O-N 3.4Å; T248-E251 PolarHBondContact N-OE2 3.41Å; T248-E251 WeakPolarHBondContact O-CB 3.43Å; T248-E251 PolarHBondContact O-N 3.15Å; T248-E251 VanDerWaalsContact O-N 3.15Å; T248-E251 WeakPolarHBondContact OG1-CG 3.38Å; T248-E251 PolarHBondContact OG1-N 3.16Å; T248-M252 WeakPolarHBondContact O-CG 3.48Å; T248-M252 PolarHBondContact O-N 3.05Å; T248-M252 VanDerWaalsContact O-N 3.11Å
249	F	93.2	Very high	91.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-34.5	176.9	-174.6	-116.4	0	0	0	111.5	V157 L214 L217 C218 E222 E251 M252 Q253 L288 L290	V157-F249 HydrophobicContact CB-CE2 4.23Å; V157-F249 HydrophobicContact CG1-CE2 4.21Å; V157-F249 HydrophobicContact CG2-CE2 4.06Å; L214-F249 HydrophobicContact CD2-CD1 4.16Å; L214-F249 HydrophobicContact CD2-CE1 3.6Å; L214-F249 HydrophobicContact CD2-CE2 4.05Å; L214-F249 HydrophobicContact CD2-CZ 3.56Å; L217-F249 HydrophobicContact CD2-CD2 3.74Å; L217-F249 HydrophobicContact CD2-CE2 4.21Å; L217-F249 HydrophobicContact CD2-CG 4.45Å; C218-F249 HydrophobicContact CB-CB 4.46Å; E222-F249 HydrophobicContact CB-CD1 4.4Å; E222-F249 HydrophobicContact CG-CD1 4.1Å; E222-F249 PolarHBondContact O-N 3.48Å; F249-E251 VanDerWaalsContact C-N 3.29Å; F249-E251 PolarHBondContact O-N 3.09Å; F249-M252 HydrophobicContact CD2-CB 4.44Å; F249-M252 HydrophobicContact CD2-SD 4.4Å; F249-M252 WeakPolarHBondContact O-CB 3.27Å; F249-M252 PolarHBondContact O-N 2.93Å; F249-M252 VanDerWaalsContact O-N 3.1Å; F249-Q253 HydrophobicContact CD1-CG 4.2Å; F249-Q253 VanDerWaalsContact CE1-CD 3.48Å; F249-Q253 HydrophobicContact CE1-CG 3.85Å; F249-Q253 HydrophobicContact CE2-CG 4.38Å; F249-Q253 HydrophobicContact CZ-CG 3.94Å; F249-Q253 WeakPolarHBondContact O-CG 3.49Å; F249-Q253 PolarHBondContact O-N 3.25Å; F249-L288 HydrophobicContact CE2-CD1 4.05Å; F249-L290 HydrophobicContact CZ-CD1 4.26Å
250	R	92.8	Very high	91.3	Very high	117 Å²	117	58 Å²	58	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-39	171.8	-178.2	171.2	-70.7	-168.4	-4.2	113.1	E222 E223 T248	E222-R250 HydrophobicContact CB-CB 4.05Å; E222-R250 WeakPolarHBondContact O-CB 3.15Å; E222-R250 PolarHBondContact O-N 2.85Å; E222-R250 IonicContact OE2-NE 3.76Å; E222-R250 IonicContact OE2-NH2 3.07Å; E223-R250 WeakPolarHBondContact OE1-CD 3.5Å; E223-R250 IonicContact OE1-CZ 3.9Å; E223-R250 IonicContact OE1-NE 3.84Å; E223-R250 PolarHBondContact OE1-NE 2.58Å; E223-R250 IonicContact OE1-NH1 3.2Å; E223-R250 PolarHBondContact OE1-NH1 3.28Å; T248-R250 PolarHBondContact O-N 3.4Å
251	E	94.6	Very high	91.5	Very high	68 Å²	68	55 Å²	55	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-43	173.7	-73.3	176.9	167.9	0	0	111.9	T248 F249 Q253 K254 W263	T248-E251 PolarHBondContact N-OE2 3.41Å; T248-E251 WeakPolarHBondContact O-CB 3.43Å; T248-E251 PolarHBondContact O-N 3.15Å; T248-E251 VanDerWaalsContact O-N 3.15Å; T248-E251 WeakPolarHBondContact OG1-CG 3.38Å; T248-E251 PolarHBondContact OG1-N 3.16Å; F249-E251 VanDerWaalsContact C-N 3.29Å; F249-E251 PolarHBondContact O-N 3.09Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.17Å; E251-K254 VanDerWaalsContact O-CB 3.3Å; E251-K254 WeakPolarHBondContact O-CB 3.26Å; E251-K254 WeakPolarHBondContact O-CG 3.4Å; E251-K254 PolarHBondContact O-N 2.91Å; E251-W263 HydrophobicContact CB-CZ2 4.44Å; E251-W263 PolarHBondContact OE2-NE1 3.43Å
252	M	94.8	Very high	91.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-42.1	178.1	-65.3	178.9	-177.5	0	0	111.8	L159 F161 L226 A247 T248 F249 K254 I255 W263 L285 L288	L159-M252 HydrophobicContact CD2-SD 4.41Å; F161-M252 HydrophobicContact CZ-CE 4.11Å; L226-M252 HydrophobicContact CD1-CE 3.64Å; L226-M252 HydrophobicContact CD1-SD 4.35Å; A247-M252 HydrophobicContact CB-CE 3.84Å; T248-M252 WeakPolarHBondContact O-CG 3.48Å; T248-M252 PolarHBondContact O-N 3.05Å; T248-M252 VanDerWaalsContact O-N 3.11Å; F249-M252 HydrophobicContact CD2-CB 4.44Å; F249-M252 HydrophobicContact CD2-SD 4.4Å; F249-M252 WeakPolarHBondContact O-CB 3.27Å; F249-M252 PolarHBondContact O-N 2.93Å; F249-M252 VanDerWaalsContact O-N 3.1Å; M252-K254 PolarHBondContact O-N 3.27Å; M252-K254 VanDerWaalsContact O-N 3.08Å; M252-I255 VanDerWaalsContact O-CG2 3.23Å; M252-I255 WeakPolarHBondContact O-CG2 3.47Å; M252-I255 PolarHBondContact O-N 3.26Å; M252-W263 HydrophobicContact CE-CH2 4.44Å; M252-W263 HydrophobicContact CG-CH2 3.91Å; M252-W263 HydrophobicContact CG-CZ2 4.18Å; M252-L285 HydrophobicContact CB-CD2 3.71Å; M252-L285 HydrophobicContact CG-CD2 4.05Å; M252-L288 HydrophobicContact CB-CD1 3.69Å
253	Q	90.7	Very high	91.7	Very high	46 Å²	46	57 Å²	57	22%	0.215	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-61.8	-16.5	179.1	-73.6	169.5	-53.6	0	0	114.1	E222 F249 E251 I255 S256	E222-Q253 PolarHBondContact OE1-NE2 3.34Å; E222-Q253 PolarHBondContact OE1-OE1 3.42Å; F249-Q253 HydrophobicContact CD1-CG 4.2Å; F249-Q253 VanDerWaalsContact CE1-CD 3.48Å; F249-Q253 HydrophobicContact CE1-CG 3.85Å; F249-Q253 HydrophobicContact CE2-CG 4.38Å; F249-Q253 HydrophobicContact CZ-CG 3.94Å; F249-Q253 WeakPolarHBondContact O-CG 3.49Å; F249-Q253 PolarHBondContact O-N 3.25Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.17Å; Q253-I255 PolarHBondContact O-N 3.42Å; Q253-I255 VanDerWaalsContact O-N 3.12Å; Q253-S256 PolarHBondContact O-N 3.32Å; Q253-S256 PolarHBondContact O-OG 2.77Å
254	K	91.3	Very high	91.7	Very high	104 Å²	104	61.4 Å²	61.4	45%	0.452	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.6	-18.8	176.1	-64.8	173.7	-177.3	168.3	0	112.8	E251 M252 S256 S257 N259 V261	E251-K254 VanDerWaalsContact O-CB 3.3Å; E251-K254 WeakPolarHBondContact O-CB 3.26Å; E251-K254 WeakPolarHBondContact O-CG 3.4Å; E251-K254 PolarHBondContact O-N 2.91Å; M252-K254 PolarHBondContact O-N 3.27Å; M252-K254 VanDerWaalsContact O-N 3.08Å; K254-S256 PolarHBondContact O-N 3.4Å; K254-S257 PolarHBondContact O-N 2.79Å; K254-S257 VanDerWaalsContact O-N 3.12Å; K254-N259 HydrophobicContact CB-CB 4.47Å; K254-N259 WeakPolarHBondContact O-CB 3.32Å; K254-V261 HydrophobicContact CB-CG2 4.1Å
255	I	89.6	Confident	91.7	Very high	30 Å²	30	59.2 Å²	59.2	15%	0.154	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59.7	-33.5	176	-161.1	171.3	0	0	0	112.3	M252 Q253 S257 G258 V261 L285 L288	M252-I255 VanDerWaalsContact O-CG2 3.23Å; M252-I255 WeakPolarHBondContact O-CG2 3.47Å; M252-I255 PolarHBondContact O-N 3.26Å; Q253-I255 PolarHBondContact O-N 3.42Å; Q253-I255 VanDerWaalsContact O-N 3.12Å; I255-S257 PolarHBondContact O-N 2.95Å; I255-G258 PolarHBondContact O-N 2.95Å; I255-V261 HydrophobicContact CB-CG2 3.81Å; I255-L285 HydrophobicContact CB-CD2 4.49Å; I255-L285 HydrophobicContact CD1-CD2 4.24Å; I255-L285 HydrophobicContact CD1-CG 4.02Å; I255-L285 VanDerWaalsContact CD1-O 3.27Å; I255-L285 WeakPolarHBondContact CD1-O 3.28Å; I255-L285 HydrophobicContact CG2-CD2 4.33Å; I255-L288 HydrophobicContact CG2-CB 3.64Å
256	S	77.4	Confident	91.6	Very high	95 Å²	95	60.3 Å²	60.3	66%	0.664	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.7	177.9	-53.8	0	0	0	0	113.3	Q253 K254 G258	Q253-S256 PolarHBondContact O-N 3.32Å; Q253-S256 PolarHBondContact O-OG 2.77Å; K254-S256 PolarHBondContact O-N 3.4Å; S256-G258 VanDerWaalsContact C-N 3.26Å; S256-G258 PolarHBondContact O-N 3.3Å
257	S	79.3	Confident	91.6	Very high	94 Å²	94	55.4 Å²	55.4	66%	0.657	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-87.1	10.1	173.8	-49.6	0	0	0	0	113.1	K254 I255 N259	K254-S257 PolarHBondContact O-N 2.79Å; K254-S257 VanDerWaalsContact O-N 3.12Å; I255-S257 PolarHBondContact O-N 2.95Å; S257-N259 PolarHBondContact O-N 2.89Å
258	G	78.3	Confident	91.4	Very high	70 Å²	70	57.4 Å²	57.4	72%	0.722	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	7.3	-175	0	0	0	0	0	114.1	I255 S256	I255-G258 PolarHBondContact O-N 2.95Å; S256-G258 VanDerWaalsContact C-N 3.26Å; S256-G258 PolarHBondContact O-N 3.3Å
259	N	83.8	Confident	91.3	Very high	91 Å²	91	63.7 Å²	63.7	49%	0.487	35%	0.345	S	S	.	.			trans	-76.1	143.8	176.1	-65.6	-45.9	0	0	0	110.5	K254 S257 V261	K254-N259 HydrophobicContact CB-CB 4.47Å; K254-N259 WeakPolarHBondContact O-CB 3.32Å; S257-N259 PolarHBondContact O-N 2.89Å; N259-V261 PolarHBondContact O-N 3.06Å
260	K	86.8	Confident	91.2	Very high	197 Å²	197	66.7 Å²	66.7	86%	0.857	36%	0.356	S	S	*	.			trans	-74.7	122.8	167.3	-68.4	-178.2	-178.6	175.7	0	108.8
261	V	96.1	Very high	91.1	Very high	12 Å²	12	68 Å²	68	7%	0.073	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.1	174.4	-173.5	0	0	0	0	108.4	K254 I255 N259 W263 L285	K254-V261 HydrophobicContact CB-CG2 4.1Å; I255-V261 HydrophobicContact CB-CG2 3.81Å; N259-V261 PolarHBondContact O-N 3.06Å; V261-W263 HydrophobicContact CB-CH2 4.43Å; V261-W263 HydrophobicContact CG1-CH2 3.2Å; V261-W263 HydrophobicContact CG1-CZ2 3.43Å; V261-W263 VanDerWaalsContact CG1-CZ2 3.43Å; V261-W263 HydrophobicContact CG1-CZ3 3.81Å; V261-L285 HydrophobicContact CB-CB 4.21Å; V261-L285 HydrophobicContact CB-CD2 4.41Å; V261-L285 HydrophobicContact CG1-CB 4.37Å; V261-L285 HydrophobicContact CG1-CD2 4.42Å; V261-L285 PolarHBondContact O-N 2.88Å
262	S	96.4	Very high	90.8	Very high	62 Å²	62	72.7 Å²	72.7	43%	0.434	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	148.1	-177.9	61.8	0	0	0	0	111.5	V283	S262-V283 CarbonylContact C-O 3.52Å; S262-V283 WeakPolarHBondContact CA-O 3.21Å; S262-V283 WeakPolarHBondContact CB-O 3.5Å
263	W	97.8	Very high	90.7	Very high	29 Å²	29	80.9 Å²	80.9	11%	0.11	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.9	179.3	-56.5	-96.9	0	0	0	110.6	F161 F245 A247 E251 M252 V261 C265 V282 V283 L285	F161-W263 HydrophobicContact CE1-CH2 4.44Å; F161-W263 AromaticContact CE1-CZ3 3.82Å; F161-W263 HydrophobicContact CE1-CZ3 3.82Å; F245-W263 HydrophobicContact CB-CB 3.84Å; F245-W263 HydrophobicContact CD1-CB 4.5Å; F245-W263 HydrophobicContact CD2-CB 3.39Å; F245-W263 AromaticContact CD2-CD1 3.9Å; F245-W263 AromaticContact CD2-CD2 3.75Å; F245-W263 HydrophobicContact CD2-CD2 3.75Å; F245-W263 HydrophobicContact CD2-CE3 4.18Å; F245-W263 AromaticContact CD2-CG 3.39Å; F245-W263 HydrophobicContact CD2-CG 3.39Å; F245-W263 HydrophobicContact CE2-CB 4Å; F245-W263 AromaticContact CE2-CD2 3.64Å; F245-W263 HydrophobicContact CE2-CD2 3.64Å; F245-W263 AromaticContact CE2-CE3 3.63Å; F245-W263 HydrophobicContact CE2-CE3 3.63Å; F245-W263 AromaticContact CE2-CG 3.82Å; F245-W263 HydrophobicContact CE2-CG 3.82Å; F245-W263 HydrophobicContact CE2-CZ3 4.3Å; F245-W263 HydrophobicContact CG-CB 3.67Å; F245-W263 HydrophobicContact CG-CG 4.18Å; F245-W263 HydrophobicContact CZ-CE3 4.28Å; A247-W263 HydrophobicContact CB-CD2 4.46Å; A247-W263 HydrophobicContact CB-CH2 4.37Å; A247-W263 HydrophobicContact CB-CZ2 3.59Å; E251-W263 HydrophobicContact CB-CZ2 4.44Å; E251-W263 PolarHBondContact OE2-NE1 3.43Å; M252-W263 HydrophobicContact CE-CH2 4.44Å; M252-W263 HydrophobicContact CG-CH2 3.91Å; M252-W263 HydrophobicContact CG-CZ2 4.18Å; V261-W263 HydrophobicContact CB-CH2 4.43Å; V261-W263 HydrophobicContact CG1-CH2 3.2Å; V261-W263 HydrophobicContact CG1-CZ2 3.43Å; V261-W263 VanDerWaalsContact CG1-CZ2 3.43Å; V261-W263 HydrophobicContact CG1-CZ3 3.81Å; W263-C265 PolarHBondContact O-N 2.81Å; W263-V282 WeakPolarHBondContact O-CA 3.38Å; W263-V283 PolarHBondContact N-O 3.37Å; W263-V283 PolarHBondContact O-N 2.9Å; W263-L285 HydrophobicContact CH2-CB 4.18Å; W263-L285 HydrophobicContact CZ3-CB 3.95Å
264	D	97.4	Very high	90.6	Very high	91 Å²	91	83.6 Å²	83.6	49%	0.487	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.3	169	-78.3	-33.7	0	0	0	109.2	V266 N279	D264-V266 HydrophobicContact CB-CG2 4.35Å; D264-V266 PolarHBondContact O-N 3.14Å; D264-N279 HydrophobicContact CB-CB 3.99Å; D264-N279 PolarHBondContact OD1-ND2 3.26Å
265	C	96.4	Very high	90.1	Very high	0 Å²	0	90.5 Å²	90.5	0%	0	46%	0.457	C	S	.	.			trans	-77.4	116.8	173	-172.3	0	0	0	0	108.6	G243 W263 Y277 N279 S280 G281 V283	G243-C265 WeakPolarHBondContact CA-SG 3.42Å; W263-C265 PolarHBondContact O-N 2.81Å; C265-Y277 PolarHBondContact O-OH 2.95Å; C265-N279 WeakPolarHBondContact O-CB 3.3Å; C265-S280 PolarHBondContact O-N 2.85Å; C265-G281 VanDerWaalsContact CB-O 3.29Å; C265-G281 WeakPolarHBondContact CB-O 3.32Å; C265-G281 PolarHBondContact N-O 3.49Å; C265-V283 HydrophobicContact CB-CG2 4.38Å
266	V	97.2	Very high	90	Very high	34 Å²	34	96.4 Å²	96.4	21%	0.206	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-113.9	124.3	-171.5	176.1	0	0	0	0	111	G243 E244 D264 P268 K271 Y277	G243-V266 CarbonylContact C-O 3.58Å; G243-V266 WeakPolarHBondContact CA-O 3.2Å; E244-V266 WeakPolarHBondContact CG-O 3.23Å; E244-V266 PolarHBondContact N-O 2.71Å; E244-V266 PolarHBondContact O-N 3.43Å; D264-V266 HydrophobicContact CB-CG2 4.35Å; D264-V266 PolarHBondContact O-N 3.14Å; V266-P268 WeakPolarHBondContact O-CD 3.39Å; V266-K271 HydrophobicContact CG1-CB 4.4Å; V266-K271 HydrophobicContact CG1-CD 3.88Å; V266-Y277 WeakPolarHBondContact CA-OH 3.33Å; V266-Y277 HydrophobicContact CG1-CE1 4.29Å
267	N	96.4	Very high	90.7	Very high	6 Å²	6	93.7 Å²	93.7	3%	0.032	46%	0.464	C	S	.	.			trans	-89.7	111.9	166.3	-166.6	-60.1	0	0	0	110	F241 I242 K269 Y270 K271 Y277 S280	F241-N267 PolarHBondContact O-ND2 3.2Å; I242-N267 VanDerWaalsContact O-CB 3.32Å; I242-N267 WeakPolarHBondContact O-CB 3.45Å; I242-N267 PolarHBondContact O-ND2 3.15Å; N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.5Å; N267-K269 WeakPolarHBondContact OD1-CB 3.45Å; N267-K269 PolarHBondContact OD1-N 2.84Å; N267-K269 VanDerWaalsContact OD1-N 3.13Å; N267-Y270 HydrophobicContact CB-CD2 3.88Å; N267-Y270 HydrophobicContact CB-CG 3.99Å; N267-Y270 PolarHBondContact O-N 2.91Å; N267-Y270 VanDerWaalsContact O-N 3.13Å; N267-Y270 PolarHBondContact OD1-N 3.34Å; N267-K271 PolarHBondContact O-N 2.77Å; N267-Y277 PolarHBondContact N-OH 2.92Å; N267-S280 WeakPolarHBondContact CB-OG 3.31Å
268	P	93.6	Very high	91.2	Very high	43 Å²	43	98.2 Å²	98.2	28%	0.279	47%	0.472	S	S	.	.	H	α-helix	trans	-60.5	-34.9	-177	-25.1	36	0	0	0	112.8	E244 V266 K271 Q272	E244-P268 HydrophobicContact CG-CG 4.31Å; V266-P268 WeakPolarHBondContact O-CD 3.39Å; P268-K271 PolarHBondContact O-N 2.7Å; P268-Q272 WeakPolarHBondContact O-CG 3.39Å; P268-Q272 PolarHBondContact O-N 2.88Å; P268-Q272 VanDerWaalsContact O-N 3.14Å
269	K	93.1	Very high	92	Very high	147 Å²	147	96.9 Å²	96.9	64%	0.639	45%	0.449	S	S	*	.	H	α-helix	trans	-67	-40.2	178	-62.7	179.5	-179.2	173	0	111.3	N267 K273	N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.5Å; N267-K269 WeakPolarHBondContact OD1-CB 3.45Å; N267-K269 PolarHBondContact OD1-N 2.84Å; N267-K269 VanDerWaalsContact OD1-N 3.13Å; K269-K273 WeakPolarHBondContact O-CB 3.23Å; K269-K273 VanDerWaalsContact O-CG 3.31Å; K269-K273 WeakPolarHBondContact O-CG 3.45Å; K269-K273 PolarHBondContact O-N 2.84Å; K269-K273 VanDerWaalsContact O-N 3.14Å
270	Y	92.4	Very high	92.6	Very high	65 Å²	65	92.6 Å²	92.6	26%	0.255	43%	0.425	S	S	.	.	H	α-helix	trans	-72.1	-39.7	177	-67	-8	0	0	0	111.9	D167 K169 N267 Q272 K273 K274 Y277	D167-Y270 VanDerWaalsContact OD2-CE2 3.31Å; D167-Y270 WeakPolarHBondContact OD2-CE2 3.41Å; K169-Y270 PolarHBondContact NZ-OH 2.71Å; N267-Y270 HydrophobicContact CB-CD2 3.88Å; N267-Y270 HydrophobicContact CB-CG 3.99Å; N267-Y270 PolarHBondContact O-N 2.91Å; N267-Y270 VanDerWaalsContact O-N 3.13Å; N267-Y270 PolarHBondContact OD1-N 3.34Å; Y270-Q272 PolarHBondContact O-N 3.48Å; Y270-K273 PolarHBondContact O-N 2.89Å; Y270-K273 VanDerWaalsContact O-N 3.13Å; Y270-K274 HydrophobicContact CG-CD 4.2Å; Y270-K274 WeakPolarHBondContact O-CB 3.39Å; Y270-K274 PolarHBondContact O-N 2.76Å; Y270-Y277 HydrophobicContact CD2-CD2 4.49Å; Y270-Y277 HydrophobicContact CD2-CE2 4.03Å; Y270-Y277 HydrophobicContact CG-CE2 4.41Å
271	K	89.8	Confident	93.1	Very high	144 Å²	144	83.2 Å²	83.2	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-57.7	-35.4	175.7	-169.4	173.3	-178.6	177.1	0	112.5	V266 N267 P268 Y277	V266-K271 HydrophobicContact CG1-CB 4.4Å; V266-K271 HydrophobicContact CG1-CD 3.88Å; N267-K271 PolarHBondContact O-N 2.77Å; P268-K271 PolarHBondContact O-N 2.7Å; K271-Y277 HydrophobicContact CB-CD1 3.93Å; K271-Y277 HydrophobicContact CB-CE1 4.06Å; K271-Y277 HydrophobicContact CG-CD1 4.36Å
272	Q	89.4	Confident	93.2	Very high	166 Å²	166	84.4 Å²	84.4	78%	0.776	39%	0.392	S	S	*	.	H	α-helix	trans	-77.8	-35.4	175.8	-68.7	172.7	21.1	0	0	113.5	P268 Y270	P268-Q272 WeakPolarHBondContact O-CG 3.39Å; P268-Q272 PolarHBondContact O-N 2.88Å; P268-Q272 VanDerWaalsContact O-N 3.14Å; Y270-Q272 PolarHBondContact O-N 3.48Å
273	K	90.6	Very high	93.3	Very high	173 Å²	173	81.4 Å²	81.4	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-95.5	-30.8	-170.6	-69.4	-178.3	179.1	-172.8	0	114.9	K269 Y270	K269-K273 WeakPolarHBondContact O-CB 3.23Å; K269-K273 VanDerWaalsContact O-CG 3.31Å; K269-K273 WeakPolarHBondContact O-CG 3.45Å; K269-K273 PolarHBondContact O-N 2.84Å; K269-K273 VanDerWaalsContact O-N 3.14Å; Y270-K273 PolarHBondContact O-N 2.89Å; Y270-K273 VanDerWaalsContact O-N 3.13Å
274	K	88.8	Confident	93.3	Very high	103 Å²	103	81.9 Å²	81.9	45%	0.448	38%	0.375	S	S	.	.			trans	-103.5	115.2	-171.2	-69.4	-176.5	-176.2	174.8	0	110.1	Y270 N276 Y277	Y270-K274 HydrophobicContact CG-CD 4.2Å; Y270-K274 WeakPolarHBondContact O-CB 3.39Å; Y270-K274 PolarHBondContact O-N 2.76Å; K274-N276 VanDerWaalsContact C-N 3.28Å; K274-N276 PolarHBondContact O-N 2.74Å; K274-Y277 HydrophobicContact CD-CD2 4.37Å; K274-Y277 WeakPolarHBondContact O-CB 3.13Å; K274-Y277 PolarHBondContact O-N 3.09Å
275	R	81.5	Confident	93.3	Very high	248 Å²	248	77.7 Å²	77.7	94%	0.936	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29	-174.1	-159.1	176.5	179.5	-173.8	-0.5	114.9
276	N	87.7	Confident	93.2	Very high	154 Å²	154	80.8 Å²	80.8	82%	0.824	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	27.4	-178.3	-66.6	-16.7	0	0	0	113	K274 K278	K274-N276 VanDerWaalsContact C-N 3.28Å; K274-N276 PolarHBondContact O-N 2.74Å; N276-K278 PolarHBondContact O-N 3.43Å
277	Y	91.3	Very high	93	Very high	39 Å²	39	82.2 Å²	82.2	15%	0.153	38%	0.381	C	S	.	.			trans	-72.2	128.2	-180	175	-97.3	0	0	0	111.6	C265 V266 N267 Y270 K271 K274 N279 S280	C265-Y277 PolarHBondContact O-OH 2.95Å; V266-Y277 WeakPolarHBondContact CA-OH 3.33Å; V266-Y277 HydrophobicContact CG1-CE1 4.29Å; N267-Y277 PolarHBondContact N-OH 2.92Å; Y270-Y277 HydrophobicContact CD2-CD2 4.49Å; Y270-Y277 HydrophobicContact CD2-CE2 4.03Å; Y270-Y277 HydrophobicContact CG-CE2 4.41Å; K271-Y277 HydrophobicContact CB-CD1 3.93Å; K271-Y277 HydrophobicContact CB-CE1 4.06Å; K271-Y277 HydrophobicContact CG-CD1 4.36Å; K274-Y277 HydrophobicContact CD-CD2 4.37Å; K274-Y277 WeakPolarHBondContact O-CB 3.13Å; K274-Y277 PolarHBondContact O-N 3.09Å; Y277-N279 VanDerWaalsContact CE2-C 3.46Å; Y277-N279 VanDerWaalsContact CE2-O 3.31Å; Y277-N279 WeakPolarHBondContact CE2-O 3.37Å; Y277-N279 VanDerWaalsContact CZ-CA 3.5Å; Y277-N279 WeakPolarHBondContact OH-CA 3.36Å; Y277-S280 WeakPolarHBondContact CE2-OG 3.43Å; Y277-S280 PolarHBondContact OH-N 2.65Å; Y277-S280 PolarHBondContact OH-OG 3.21Å
278	K	90.9	Very high	92.9	Very high	188 Å²	188	82.7 Å²	82.7	82%	0.817	38%	0.384	S	S	*	.			trans	-97.2	-66.5	174.8	-69	-172.6	175.7	-175	0	110.8	N276	N276-K278 PolarHBondContact O-N 3.43Å
279	N	95.4	Very high	92.6	Very high	43 Å²	43	85.2 Å²	85.2	23%	0.23	39%	0.39	C	S	.	.			trans	-157.1	175.5	177.6	60.2	36	0	0	0	108.9	D264 C265 Y277 G281	D264-N279 HydrophobicContact CB-CB 3.99Å; D264-N279 PolarHBondContact OD1-ND2 3.26Å; C265-N279 WeakPolarHBondContact O-CB 3.3Å; Y277-N279 VanDerWaalsContact CE2-C 3.46Å; Y277-N279 VanDerWaalsContact CE2-O 3.31Å; Y277-N279 WeakPolarHBondContact CE2-O 3.37Å; Y277-N279 VanDerWaalsContact CZ-CA 3.5Å; Y277-N279 WeakPolarHBondContact OH-CA 3.36Å; N279-G281 VanDerWaalsContact C-N 3.34Å; N279-G281 PolarHBondContact OD1-N 2.96Å; N279-G281 VanDerWaalsContact OD1-N 3.1Å
280	S	96.6	Very high	92.2	Very high	0 Å²	0	81 Å²	81	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-104.7	33.4	173.1	-59.1	0	0	0	0	109.7	L166 D167 I242 C265 N267 Y277	L166-S280 WeakPolarHBondContact CA-O 3.39Å; D167-S280 PolarHBondContact N-O 3.44Å; D167-S280 PolarHBondContact OD2-OG 3.12Å; I242-S280 PolarHBondContact O-OG 3.38Å; C265-S280 PolarHBondContact O-N 2.85Å; N267-S280 WeakPolarHBondContact CB-OG 3.31Å; Y277-S280 WeakPolarHBondContact CE2-OG 3.43Å; Y277-S280 PolarHBondContact OH-N 2.65Å; Y277-S280 PolarHBondContact OH-OG 3.21Å
281	G	96.9	Very high	91.5	Very high	1 Å²	1	81 Å²	81	1%	0.01	38%	0.377	C	S	.	.			trans	107.8	177.9	-171.7	0	0	0	0	0	114	K164 K165 C265 N279	K164-G281 WeakPolarHBondContact O-CA 3.28Å; K165-G281 WeakPolarHBondContact O-CA 3.29Å; K165-G281 PolarHBondContact O-N 3.48Å; C265-G281 VanDerWaalsContact CB-O 3.29Å; C265-G281 WeakPolarHBondContact CB-O 3.32Å; C265-G281 PolarHBondContact N-O 3.49Å; N279-G281 VanDerWaalsContact C-N 3.34Å; N279-G281 PolarHBondContact OD1-N 2.96Å; N279-G281 VanDerWaalsContact OD1-N 3.1Å
282	V	97.8	Very high	90.7	Very high	36 Å²	36	81.1 Å²	81.1	22%	0.218	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.3	-178.5	-178.2	0	0	0	0	109	A163 K164 W263 I284	A163-V282 CarbonylContact C-O 3.57Å; A163-V282 VanDerWaalsContact CA-O 3.22Å; A163-V282 WeakPolarHBondContact CA-O 3.48Å; K164-V282 PolarHBondContact N-O 3.42Å; K164-V282 PolarHBondContact O-N 3.05Å; W263-V282 WeakPolarHBondContact O-CA 3.38Å; V282-I284 HydrophobicContact CG1-CG1 4.17Å
283	V	97.9	Very high	90.2	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.9	173.3	-179.2	0	0	0	0	108.6	F161 A163 V230 F245 S262 W263 C265	F161-V283 HydrophobicContact CD1-CG1 3.81Å; F161-V283 HydrophobicContact CE1-CG1 4.38Å; A163-V283 HydrophobicContact CB-CG2 4.17Å; V230-V283 HydrophobicContact CG2-CG2 3.83Å; F245-V283 HydrophobicContact CD1-CB 4.4Å; F245-V283 HydrophobicContact CD1-CG2 4.26Å; F245-V283 HydrophobicContact CE1-CB 3.76Å; F245-V283 HydrophobicContact CE1-CG1 3.83Å; F245-V283 HydrophobicContact CE1-CG2 3.75Å; F245-V283 HydrophobicContact CZ-CB 4.03Å; F245-V283 HydrophobicContact CZ-CG1 3.74Å; F245-V283 HydrophobicContact CZ-CG2 4.48Å; S262-V283 CarbonylContact C-O 3.52Å; S262-V283 WeakPolarHBondContact CA-O 3.21Å; S262-V283 WeakPolarHBondContact CB-O 3.5Å; W263-V283 PolarHBondContact N-O 3.37Å; W263-V283 PolarHBondContact O-N 2.9Å; C265-V283 HydrophobicContact CB-CG2 4.38Å
284	I	97.6	Very high	89.8	Confident	38 Å²	38	70.8 Å²	70.8	20%	0.195	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129	-172.2	-53.6	170.2	0	0	0	107.7	F161 C162 K164 V282 S286	F161-I284 WeakPolarHBondContact CA-O 3.42Å; C162-I284 PolarHBondContact N-O 3.02Å; C162-I284 PolarHBondContact O-N 3.15Å; K164-I284 HydrophobicContact CD-CD1 3.82Å; K164-I284 HydrophobicContact CG-CD1 4.09Å; V282-I284 HydrophobicContact CG1-CG1 4.17Å; I284-S286 PolarHBondContact O-N 3.4Å
285	L	97.3	Very high	89.7	Confident	4 Å²	4	67 Å²	67	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.1	165	-180	72.7	0	0	0	107.1	L159 F161 M252 I255 V261 W263 D287 L288	L159-L285 HydrophobicContact CB-CD1 4.39Å; L159-L285 HydrophobicContact CD2-CD1 3.87Å; F161-L285 HydrophobicContact CD1-CB 4.39Å; F161-L285 HydrophobicContact CD1-CD1 4.33Å; F161-L285 HydrophobicContact CD2-CD1 4.1Å; F161-L285 HydrophobicContact CE1-CB 4.08Å; F161-L285 HydrophobicContact CE1-CD1 3.97Å; F161-L285 HydrophobicContact CE2-CD1 3.71Å; F161-L285 HydrophobicContact CG-CD1 4.41Å; F161-L285 HydrophobicContact CZ-CD1 3.64Å; M252-L285 HydrophobicContact CB-CD2 3.71Å; M252-L285 HydrophobicContact CG-CD2 4.05Å; I255-L285 HydrophobicContact CB-CD2 4.49Å; I255-L285 HydrophobicContact CD1-CD2 4.24Å; I255-L285 HydrophobicContact CD1-CG 4.02Å; I255-L285 VanDerWaalsContact CD1-O 3.27Å; I255-L285 WeakPolarHBondContact CD1-O 3.28Å; I255-L285 HydrophobicContact CG2-CD2 4.33Å; V261-L285 HydrophobicContact CB-CB 4.21Å; V261-L285 HydrophobicContact CB-CD2 4.41Å; V261-L285 HydrophobicContact CG1-CB 4.37Å; V261-L285 HydrophobicContact CG1-CD2 4.42Å; V261-L285 PolarHBondContact O-N 2.88Å; W263-L285 HydrophobicContact CH2-CB 4.18Å; W263-L285 HydrophobicContact CZ3-CB 3.95Å; L285-D287 WeakPolarHBondContact CD1-O 3.12Å; L285-L288 HydrophobicContact CD2-CB 4.26Å; L285-L288 HydrophobicContact CD2-CD1 4.05Å
286	S	94.3	Very high	90.1	Very high	64 Å²	64	55.7 Å²	55.7	45%	0.448	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-29.5	-176.1	53.2	0	0	0	0	113.3	S160 I284	S160-S286 WeakPolarHBondContact CB-OG 3.38Å; S160-S286 PolarHBondContact O-N 3.36Å; S160-S286 PolarHBondContact O-OG 3.47Å; S160-S286 VanDerWaalsContact O-OG 3.07Å; I284-S286 PolarHBondContact O-N 3.4Å
287	D	93.6	Very high	90.2	Very high	65 Å²	65	48.4 Å²	48.4	35%	0.348	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.7	175.7	-164.5	20.2	0	0	0	110.8	S160 L285 K289	S160-D287 PolarHBondContact N-O 3.49Å; S160-D287 PolarHBondContact O-N 3.35Å; L285-D287 WeakPolarHBondContact CD1-O 3.12Å; D287-K289 WeakPolarHBondContact OD2-CE 3.37Å; D287-K289 IonicContact OD2-NZ 3.54Å
288	L	93.6	Very high	90.1	Very high	16 Å²	16	49 Å²	49	8%	0.084	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	119.2	174.6	-176.5	154	0	0	0	108.8	V157 E158 L159 F249 M252 I255 L285 L290	V157-L288 HydrophobicContact CG2-CD1 4.16Å; V157-L288 HydrophobicContact CG2-CD2 3.91Å; V157-L288 HydrophobicContact CG2-CG 3.62Å; E158-L288 WeakPolarHBondContact O-CA 3.07Å; L159-L288 HydrophobicContact CD2-CB 4.3Å; L159-L288 HydrophobicContact CD2-CD1 3.67Å; L159-L288 HydrophobicContact CD2-CG 3.82Å; F249-L288 HydrophobicContact CE2-CD1 4.05Å; M252-L288 HydrophobicContact CB-CD1 3.69Å; I255-L288 HydrophobicContact CG2-CB 3.64Å; L285-L288 HydrophobicContact CD2-CB 4.26Å; L285-L288 HydrophobicContact CD2-CD1 4.05Å; L288-L290 HydrophobicContact CD2-CB 4.33Å
289	K	89	Confident	90.1	Very high	95 Å²	95	40 Å²	40	41%	0.413	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.8	172.1	-56.8	179.4	-163.4	151.4	0	109.6	V157 E158 D287 H291	V157-K289 WeakPolarHBondContact CA-O 3.39Å; E158-K289 HydrophobicContact CB-CB 4.24Å; E158-K289 PolarHBondContact N-O 2.9Å; E158-K289 PolarHBondContact O-N 2.87Å; E158-K289 WeakPolarHBondContact OE2-CD 3.35Å; E158-K289 IonicContact OE2-NZ 2.72Å; D287-K289 WeakPolarHBondContact OD2-CE 3.37Å; D287-K289 IonicContact OD2-NZ 3.54Å; K289-H291 PolarHBondContact O-CD2 2.73Å
290	L	83.6	Confident	90	Very high	60 Å²	60	38 Å²	38	31%	0.314	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118	175	177.5	62	0	0	0	109.3	L214 F249 L288 R292	L214-L290 HydrophobicContact CD1-CD1 3.91Å; L214-L290 HydrophobicContact CD2-CD1 4.21Å; L214-L290 HydrophobicContact CG-CD1 4.3Å; F249-L290 HydrophobicContact CZ-CD1 4.26Å; L288-L290 HydrophobicContact CD2-CB 4.33Å; L290-R292 HydrophobicContact CG-CG 4.44Å
291	H	77.9	Confident	89.6	Confident	65 Å²	65	39.1 Å²	39.1	30%	0.301	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104.8	173.6	-62.4	-89.1	0	0	0	108.4	G155 Y156 K289	G155-H291 CarbonylContact C-O 3.51Å; G155-H291 WeakPolarHBondContact CA-O 3.28Å; Y156-H291 HydrophobicContact CD1-CB 3.97Å; Y156-H291 HydrophobicContact CD2-CB 4.01Å; Y156-H291 AromaticContact CD2-CD2 3.92Å; Y156-H291 HydrophobicContact CE1-CB 3.62Å; Y156-H291 HydrophobicContact CE2-CB 3.65Å; Y156-H291 AromaticContact CE2-CD2 3.3Å; Y156-H291 WeakPolarHBondContact CE2-CD2 3.46Å; Y156-H291 AromaticContact CE2-CG 3.5Å; Y156-H291 HydrophobicContact CG-CB 4.17Å; Y156-H291 VanDerWaalsContact CZ-CB 3.46Å; Y156-H291 AromaticContact CZ-CD2 3.83Å; Y156-H291 AromaticContact CZ-CG 3.53Å; Y156-H291 PolarHBondContact N-O 3.29Å; Y156-H291 WeakPolarHBondContact O-CA 3.4Å; Y156-H291 PolarHBondContact O-N 3.24Å; Y156-H291 VanDerWaalsContact O-O 3.09Å; K289-H291 PolarHBondContact O-CD2 2.73Å
292	R	73.9	Confident	89.2	Confident	146 Å²	146	39.6 Å²	39.6	55%	0.551	20%	0.202	S	C	*	.			trans	-75.6	131.5	171.2	-67.4	-171.8	179.3	-152.8	-1.2	108.7	L290 Y294	L290-R292 HydrophobicContact CG-CG 4.44Å; R292-Y294 HydrophobicContact CB-CD1 4.31Å; R292-Y294 HydrophobicContact CB-CE1 3.77Å; R292-Y294 HydrophobicContact CB-CE2 4.05Å; R292-Y294 HydrophobicContact CG-CE1 4.5Å
293	V	77.1	Confident	88.8	Confident	70 Å²	70	39.5 Å²	39.5	42%	0.424	21%	0.208	S	C	.	.			trans	-95.6	113.7	166.4	178.9	0	0	0	0	105.1	N154 Y156	N154-V293 HydrophobicContact CB-CB 4.32Å; N154-V293 WeakPolarHBondContact O-CG2 3.5Å; Y156-V293 HydrophobicContact CD1-CG2 4.39Å
294	Y	83.1	Confident	88.6	Confident	51 Å²	51	39.8 Å²	39.8	20%	0.2	21%	0.21	C	C	.	.			trans	-88.1	138.2	-178	-60.7	-70.5	0	0	0	110	R292 D298 V532 S541 P542	R292-Y294 HydrophobicContact CB-CD1 4.31Å; R292-Y294 HydrophobicContact CB-CE1 3.77Å; R292-Y294 HydrophobicContact CB-CE2 4.05Å; R292-Y294 HydrophobicContact CG-CE1 4.5Å; Y294-D298 WeakPolarHBondContact CA-OD2 3.32Å; Y294-D298 HydrophobicContact CD1-CB 4.29Å; Y294-V532 WeakPolarHBondContact O-CG1 3.38Å; Y294-S541 WeakPolarHBondContact OH-CB 3.24Å; Y294-S541 PolarHBondContact OH-OG 3.21Å; Y294-P542 HydrophobicContact CD1-CG 3.41Å; Y294-P542 VanDerWaalsContact CD1-CG 3.41Å; Y294-P542 HydrophobicContact CD2-CG 4.13Å; Y294-P542 VanDerWaalsContact CE1-CD 3.49Å; Y294-P542 HydrophobicContact CE1-CG 3.9Å; Y294-P542 HydrophobicContact CG-CG 3.51Å
295	S	86.8	Confident	88.4	Confident	23 Å²	23	40.9 Å²	40.9	16%	0.161	22%	0.215	C	C	.	.			trans	-77.8	171	171.5	79.2	0	0	0	0	110.3	E149 L297 D298 Y299	E149-S295 VanDerWaalsContact CD-OG 3.24Å; E149-S295 WeakPolarHBondContact OE1-CB 3.19Å; E149-S295 PolarHBondContact OE1-OG 2.78Å; E149-S295 PolarHBondContact OE2-OG 2.64Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact OG-N 3.26Å; S295-L297 VanDerWaalsContact OG-N 3.15Å; S295-D298 PolarHBondContact N-OD2 3.42Å; S295-D298 WeakPolarHBondContact O-CB 3.39Å; S295-D298 PolarHBondContact O-N 3.2Å; S295-D298 PolarHBondContact OG-N 2.77Å; S295-D298 PolarHBondContact OG-OD2 3.16Å; S295-Y299 WeakPolarHBondContact O-CD2 3.46Å
296	F	90.5	Very high	88.2	Confident	12 Å²	12	40.8 Å²	40.8	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-42.8	168.1	170.8	-108.2	0	0	0	111.9	Y81 F83 D298 Y299 I300 I306 P528 V531 V532	Y81-F296 HydrophobicContact CE1-CD1 4.19Å; Y81-F296 HydrophobicContact CE1-CE1 4.24Å; Y81-F296 WeakPolarHBondContact OH-CE1 3.38Å; F83-F296 HydrophobicContact CB-CE1 4.07Å; F83-F296 AromaticContact CD2-CE1 3.5Å; F83-F296 HydrophobicContact CD2-CE1 3.5Å; F83-F296 VanDerWaalsContact CD2-CE1 3.5Å; F83-F296 AromaticContact CD2-CZ 3.51Å; F83-F296 HydrophobicContact CD2-CZ 3.51Å; F83-F296 HydrophobicContact CE2-CE1 4.19Å; F83-F296 AromaticContact CE2-CZ 3.71Å; F83-F296 HydrophobicContact CE2-CZ 3.71Å; F83-F296 AromaticContact CG-CE1 3.93Å; F83-F296 HydrophobicContact CG-CE1 3.93Å; F83-F296 HydrophobicContact CG-CZ 4.13Å; F83-F296 HydrophobicContact CZ-CZ 4.48Å; F296-D298 VanDerWaalsContact C-N 3.31Å; F296-D298 PolarHBondContact O-N 2.91Å; F296-Y299 WeakPolarHBondContact O-CB 3.25Å; F296-Y299 PolarHBondContact O-N 2.58Å; F296-Y299 VanDerWaalsContact O-N 3.15Å; F296-I300 HydrophobicContact CD1-CG1 4.19Å; F296-I300 HydrophobicContact CD2-CG1 4.3Å; F296-I300 HydrophobicContact CE1-CD1 4.41Å; F296-I300 HydrophobicContact CE1-CG1 3.72Å; F296-I300 HydrophobicContact CE2-CD1 3.89Å; F296-I300 HydrophobicContact CE2-CG1 3.84Å; F296-I300 HydrophobicContact CG-CG1 4.47Å; F296-I300 HydrophobicContact CZ-CD1 3.74Å; F296-I300 HydrophobicContact CZ-CG1 3.53Å; F296-I300 PolarHBondContact O-N 3.35Å; F296-I300 VanDerWaalsContact O-N 3.12Å; F296-I306 HydrophobicContact CE2-CD1 4.05Å; F296-I306 HydrophobicContact CZ-CD1 3.81Å; F296-P528 HydrophobicContact CB-CB 3.83Å; F296-P528 HydrophobicContact CD1-CB 4.1Å; F296-P528 HydrophobicContact CD1-CG 4.38Å; F296-P528 HydrophobicContact CD2-CB 4.04Å; F296-P528 HydrophobicContact CG-CB 3.73Å; F296-P528 HydrophobicContact CG-CG 4.42Å; F296-V531 HydrophobicContact CD2-CB 4.02Å; F296-V531 HydrophobicContact CD2-CG1 3.98Å; F296-V531 HydrophobicContact CD2-CG2 4.32Å; F296-V531 HydrophobicContact CE2-CB 4.3Å; F296-V531 HydrophobicContact CE2-CG1 4.28Å; F296-V531 HydrophobicContact CE2-CG2 4.11Å; F296-V532 HydrophobicContact CB-CG2 4.11Å
297	L	89.9	Confident	88.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-30	178.9	-79.4	-173.9	0	0	0	113.1	V24 Y81 V121 E149 S295 Y299 I300 M301	V24-L297 HydrophobicContact CG2-CD1 3.58Å; Y81-L297 HydrophobicContact CD1-CD1 3.68Å; Y81-L297 HydrophobicContact CD1-CD2 3.84Å; Y81-L297 HydrophobicContact CD1-CG 3.79Å; Y81-L297 HydrophobicContact CD2-CD2 4.47Å; Y81-L297 HydrophobicContact CE1-CD1 4.18Å; Y81-L297 HydrophobicContact CE1-CD2 3.47Å; Y81-L297 VanDerWaalsContact CE1-CD2 3.47Å; Y81-L297 HydrophobicContact CE1-CG 3.79Å; Y81-L297 HydrophobicContact CE2-CD2 4.17Å; Y81-L297 HydrophobicContact CG-CD1 3.95Å; Y81-L297 HydrophobicContact CG-CD2 4.31Å; Y81-L297 HydrophobicContact CG-CG 4.45Å; V121-L297 HydrophobicContact CB-CD2 4.01Å; V121-L297 HydrophobicContact CG1-CD2 4.35Å; V121-L297 HydrophobicContact CG2-CD2 3.91Å; E149-L297 HydrophobicContact CB-CB 4.41Å; E149-L297 HydrophobicContact CB-CD1 4.36Å; E149-L297 HydrophobicContact CG-CB 4.29Å; E149-L297 HydrophobicContact CG-CD1 4.01Å; E149-L297 WeakPolarHBondContact OE2-CB 3.32Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact OG-N 3.26Å; S295-L297 VanDerWaalsContact OG-N 3.15Å; L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 2.97Å; L297-I300 PolarHBondContact O-N 2.88Å; L297-M301 HydrophobicContact CD1-CE 4.19Å; L297-M301 VanDerWaalsContact O-CB 3.24Å; L297-M301 WeakPolarHBondContact O-CB 3.03Å; L297-M301 WeakPolarHBondContact O-CG 3.35Å; L297-M301 PolarHBondContact O-N 3.32Å
298	D	88.1	Confident	88.3	Confident	50 Å²	50	36.7 Å²	36.7	27%	0.267	19%	0.185	S	C	.	.	H	α-helix	trans	-57.2	-43.1	172.5	-79.4	-47.8	0	0	0	110.7	Y294 S295 F296 G302 P542	Y294-D298 WeakPolarHBondContact CA-OD2 3.32Å; Y294-D298 HydrophobicContact CD1-CB 4.29Å; S295-D298 PolarHBondContact N-OD2 3.42Å; S295-D298 WeakPolarHBondContact O-CB 3.39Å; S295-D298 PolarHBondContact O-N 3.2Å; S295-D298 PolarHBondContact OG-N 2.77Å; S295-D298 PolarHBondContact OG-OD2 3.16Å; F296-D298 VanDerWaalsContact C-N 3.31Å; F296-D298 PolarHBondContact O-N 2.91Å; D298-G302 PolarHBondContact O-N 3.12Å; D298-P542 HydrophobicContact CB-CB 4.37Å; D298-P542 HydrophobicContact CB-CG 3.76Å; D298-P542 WeakPolarHBondContact O-CB 3.19Å
299	Y	91.2	Very high	88.5	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-48.3	176.6	-70.9	-73.3	0	0	0	111.8	S295 F296 L297 G302 G303 C304 A433 V532 F535 I540 P542	S295-Y299 WeakPolarHBondContact O-CD2 3.46Å; F296-Y299 WeakPolarHBondContact O-CB 3.25Å; F296-Y299 PolarHBondContact O-N 2.58Å; F296-Y299 VanDerWaalsContact O-N 3.15Å; L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 2.97Å; Y299-G302 WeakPolarHBondContact O-CA 3.25Å; Y299-G302 PolarHBondContact O-N 2.75Å; Y299-G303 PolarHBondContact O-N 2.64Å; Y299-C304 WeakPolarHBondContact O-CB 3.27Å; Y299-C304 PolarHBondContact O-N 2.8Å; Y299-A433 HydrophobicContact CD1-CB 3.54Å; Y299-A433 HydrophobicContact CE1-CB 3.84Å; Y299-V532 HydrophobicContact CD2-CG2 4.36Å; Y299-V532 HydrophobicContact CE2-CG2 4.35Å; Y299-F535 HydrophobicContact CD1-CB 4.37Å; Y299-F535 AromaticContact CD1-CD2 3.63Å; Y299-F535 HydrophobicContact CD1-CD2 3.63Å; Y299-F535 HydrophobicContact CD1-CE2 4.1Å; Y299-F535 HydrophobicContact CD1-CG 4.09Å; Y299-F535 HydrophobicContact CD2-CD2 4.27Å; Y299-F535 HydrophobicContact CE1-CB 3.48Å; Y299-F535 VanDerWaalsContact CE1-CB 3.48Å; Y299-F535 HydrophobicContact CE1-CD1 4.46Å; Y299-F535 AromaticContact CE1-CD2 3.63Å; Y299-F535 HydrophobicContact CE1-CD2 3.63Å; Y299-F535 HydrophobicContact CE1-CE2 4.47Å; Y299-F535 AromaticContact CE1-CG 3.63Å; Y299-F535 HydrophobicContact CE1-CG 3.63Å; Y299-F535 HydrophobicContact CE2-CB 4.12Å; Y299-F535 HydrophobicContact CE2-CD2 4.28Å; Y299-F535 AromaticContact CG-CD2 3.98Å; Y299-F535 HydrophobicContact CG-CD2 3.98Å; Y299-F535 HydrophobicContact CG-CE2 4.41Å; Y299-F535 AromaticContact CZ-CD2 3.98Å; Y299-F535 AromaticContact CZ-CG 3.96Å; Y299-F535 VanDerWaalsContact OH-CB 3.22Å; Y299-F535 WeakPolarHBondContact OH-CB 3.11Å; Y299-I540 PolarHBondContact OH-O 3Å; Y299-P542 HydrophobicContact CD1-CB 4Å; Y299-P542 HydrophobicContact CD1-CG 3.7Å; Y299-P542 HydrophobicContact CD2-CG 4.36Å; Y299-P542 HydrophobicContact CE1-CB 4.29Å; Y299-P542 HydrophobicContact CE1-CG 3.66Å; Y299-P542 HydrophobicContact CE2-CG 4.31Å; Y299-P542 HydrophobicContact CG-CG 4.06Å
300	I	92.4	Very high	88.9	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-51	-179.9	-62.7	-57.6	0	0	0	111.6	V121 A122 F296 L297 G302 G303 I306 Y352	V121-I300 HydrophobicContact CG2-CG2 4.42Å; A122-I300 HydrophobicContact CB-CG2 4.24Å; F296-I300 HydrophobicContact CD1-CG1 4.19Å; F296-I300 HydrophobicContact CD2-CG1 4.3Å; F296-I300 HydrophobicContact CE1-CD1 4.41Å; F296-I300 HydrophobicContact CE1-CG1 3.72Å; F296-I300 HydrophobicContact CE2-CD1 3.89Å; F296-I300 HydrophobicContact CE2-CG1 3.84Å; F296-I300 HydrophobicContact CG-CG1 4.47Å; F296-I300 HydrophobicContact CZ-CD1 3.74Å; F296-I300 HydrophobicContact CZ-CG1 3.53Å; F296-I300 PolarHBondContact O-N 3.35Å; F296-I300 VanDerWaalsContact O-N 3.12Å; L297-I300 PolarHBondContact O-N 2.88Å; I300-G302 PolarHBondContact O-N 2.97Å; I300-G303 WeakPolarHBondContact O-CA 3.27Å; I300-G303 PolarHBondContact O-N 2.78Å; I300-I306 HydrophobicContact CD1-CD1 3.91Å; I300-I306 HydrophobicContact CD1-CG1 3.99Å; I300-Y352 HydrophobicContact CD1-CD1 4.27Å; I300-Y352 HydrophobicContact CG1-CD1 4.48Å; I300-Y352 HydrophobicContact CG2-CD1 3.92Å; I300-Y352 HydrophobicContact CG2-CE1 4.24Å
301	M	89.3	Confident	89.6	Confident	22 Å²	22	29 Å²	29	11%	0.108	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-19.3	177	-65.8	-174.3	178.3	0	0	112.9	V24 V121 A147 E149 L297	V24-M301 HydrophobicContact CG1-CE 4.2Å; V24-M301 HydrophobicContact CG2-CE 4.2Å; V121-M301 HydrophobicContact CB-CE 3.84Å; V121-M301 HydrophobicContact CB-CG 4.49Å; V121-M301 HydrophobicContact CG1-CE 3.65Å; V121-M301 WeakPolarHBondContact O-CG 3.43Å; A147-M301 HydrophobicContact CB-CE 4.15Å; E149-M301 HydrophobicContact CB-CE 4.18Å; E149-M301 HydrophobicContact CB-SD 4.07Å; L297-M301 HydrophobicContact CD1-CE 4.19Å; L297-M301 VanDerWaalsContact O-CB 3.24Å; L297-M301 WeakPolarHBondContact O-CB 3.03Å; L297-M301 WeakPolarHBondContact O-CG 3.35Å; L297-M301 PolarHBondContact O-N 3.32Å
302	G	88.4	Confident	90.5	Very high	11 Å²	11	25.9 Å²	25.9	11%	0.113	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.9	168.6	0	0	0	0	0	113.4	D298 Y299 I300 M543	D298-G302 PolarHBondContact O-N 3.12Å; Y299-G302 WeakPolarHBondContact O-CA 3.25Å; Y299-G302 PolarHBondContact O-N 2.75Å; I300-G302 PolarHBondContact O-N 2.97Å; G302-M543 VanDerWaalsContact CA-O 3.28Å; G302-M543 WeakPolarHBondContact CA-O 3.39Å; G302-M543 WeakPolarHBondContact O-CB 3.26Å
303	G	90.3	Very high	91.7	Very high	35 Å²	35	19 Å²	19	36%	0.361	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	14.8	-179.4	0	0	0	0	0	114.4	Y299 I300 Q305 M543	Y299-G303 PolarHBondContact O-N 2.64Å; I300-G303 WeakPolarHBondContact O-CA 3.27Å; I300-G303 PolarHBondContact O-N 2.78Å; G303-Q305 PolarHBondContact O-N 3.3Å; G303-M543 VanDerWaalsContact O-CE 3.31Å; G303-M543 WeakPolarHBondContact O-CE 3.27Å
304	C	93.3	Very high	92.7	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.041	9%	0.089	C	C	.	.			trans	-64.6	125.2	170.5	-174.3	0	0	0	0	109.9	Y299 A433	Y299-C304 WeakPolarHBondContact O-CB 3.27Å; Y299-C304 PolarHBondContact O-N 2.8Å; C304-A433 VanDerWaalsContact CA-O 3.26Å; C304-A433 WeakPolarHBondContact CA-O 3.49Å; C304-A433 WeakPolarHBondContact CB-O 3.24Å; C304-A433 PolarHBondContact SG-O 3.42Å
305	Q	92.8	Very high	93.3	Very high	61 Å²	61	13.3 Å²	13.3	29%	0.285	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144	174.5	-56.6	-168.6	5.8	0	0	110.7	G303 S354 S434 R435 Y436	G303-Q305 PolarHBondContact O-N 3.3Å; Q305-S354 PolarHBondContact NE2-OG 3.21Å; Q305-S354 PolarHBondContact OE1-OG 3.37Å; Q305-S434 PolarHBondContact N-O 2.79Å; Q305-R435 CarbonylContact O-C 3.45Å; Q305-R435 WeakPolarHBondContact O-CA 3.43Å; Q305-Y436 PolarHBondContact O-N 2.91Å
306	I	93.3	Very high	93.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.8	173.2	-60.4	-175.9	0	0	0	108.1	F83 F296 I300 Y352 D353 Y436 I438	F83-I306 HydrophobicContact CE2-CD1 3.82Å; F83-I306 HydrophobicContact CZ-CD1 4.16Å; F296-I306 HydrophobicContact CE2-CD1 4.05Å; F296-I306 HydrophobicContact CZ-CD1 3.81Å; I300-I306 HydrophobicContact CD1-CD1 3.91Å; I300-I306 HydrophobicContact CD1-CG1 3.99Å; I306-Y352 HydrophobicContact CD1-CG 4.14Å; I306-Y352 PolarHBondContact N-O 3.15Å; I306-D353 WeakPolarHBondContact O-CB 3.36Å; I306-Y436 CarbonylContact C-O 3.55Å; I306-Y436 WeakPolarHBondContact CA-O 3.39Å; I306-I438 HydrophobicContact CG2-CB 4.5Å; I306-I438 HydrophobicContact CG2-CD1 3.35Å; I306-I438 HydrophobicContact CG2-CG1 3.73Å
307	H	94.1	Very high	93.9	Very high	41 Å²	41	17.8 Å²	17.8	19%	0.19	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.1	173.6	-67.1	-69.5	0	0	0	110.1	D353 Y436 H437 I438	H307-D353 IonicContact ND1-OD2 2.71Å; H307-Y436 PolarHBondContact N-O 3.13Å; H307-H437 AromaticContact CD2-NE2 3.92Å; H307-H437 CarbonylContact O-C 3.51Å; H307-H437 WeakPolarHBondContact O-CA 3.45Å; H307-I438 PolarHBondContact O-N 3.08Å
308	F	95.4	Very high	94.2	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	-177.3	-175.7	-120.1	0	0	0	111	V310 V345 C349 F358 I438 L440	F308-V310 HydrophobicContact CD1-CG2 4.12Å; F308-V310 HydrophobicContact CE1-CG2 3.44Å; F308-V310 VanDerWaalsContact CE1-CG2 3.44Å; F308-V310 HydrophobicContact CZ-CG2 3.76Å; F308-V345 HydrophobicContact CE2-CG1 3.82Å; F308-V345 HydrophobicContact CZ-CB 4.36Å; F308-V345 HydrophobicContact CZ-CG1 3.76Å; F308-C349 HydrophobicContact CB-CB 3.97Å; F308-C349 HydrophobicContact CD1-CB 4.12Å; F308-C349 HydrophobicContact CD2-CB 3.85Å; F308-C349 HydrophobicContact CE2-CB 4.34Å; F308-C349 HydrophobicContact CG-CB 3.72Å; F308-F358 HydrophobicContact CB-CD1 3.76Å; F308-F358 HydrophobicContact CB-CE1 4.04Å; F308-F358 HydrophobicContact CD1-CD1 4.18Å; F308-F358 HydrophobicContact CD1-CD2 4.49Å; F308-F358 HydrophobicContact CD1-CG 4.16Å; F308-F358 HydrophobicContact CG-CD1 4.49Å; F308-I438 HydrophobicContact CD2-CB 4.11Å; F308-I438 HydrophobicContact CD2-CG2 3.94Å; F308-I438 HydrophobicContact CE2-CG2 4.11Å; F308-L440 HydrophobicContact CE2-CB 3.74Å; F308-L440 HydrophobicContact CE2-CD2 4.35Å; F308-L440 HydrophobicContact CZ-CB 3.88Å; F308-L440 HydrophobicContact CZ-CD2 3.73Å; F308-L440 HydrophobicContact CZ-CG 4.46Å
309	T	97.4	Very high	94.5	Very high	10 Å²	10	16.9 Å²	16.9	6%	0.061	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.1	174.9	-59.4	0	0	0	0	110	S359 L361 I420 I438 L439 L440	T309-S359 WeakPolarHBondContact CA-O 3.44Å; T309-L361 HydrophobicContact CG2-CD1 4.2Å; T309-I420 HydrophobicContact CG2-CD1 3.77Å; T309-I420 HydrophobicContact CG2-CG1 4.14Å; T309-I438 PolarHBondContact N-O 3.12Å; T309-L439 HydrophobicContact CG2-CD1 4.02Å; T309-L439 WeakPolarHBondContact O-CA 3.42Å; T309-L440 PolarHBondContact O-N 2.97Å
310	V	97.9	Very high	94.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.2	177.1	176.9	0	0	0	0	109.7	F308 I312 L342 S359 L361 V394 L440	F308-V310 HydrophobicContact CD1-CG2 4.12Å; F308-V310 HydrophobicContact CE1-CG2 3.44Å; F308-V310 VanDerWaalsContact CE1-CG2 3.44Å; F308-V310 HydrophobicContact CZ-CG2 3.76Å; V310-I312 HydrophobicContact CG1-CD1 4.2Å; V310-I312 HydrophobicContact CG1-CG1 3.76Å; V310-L342 HydrophobicContact CB-CD2 4.29Å; V310-L342 HydrophobicContact CG1-CD2 3.2Å; V310-L342 HydrophobicContact CG2-CD2 4.12Å; V310-S359 PolarHBondContact N-O 2.98Å; V310-L361 PolarHBondContact O-N 2.83Å; V310-V394 HydrophobicContact CG2-CG1 4.49Å; V310-L440 CarbonylContact C-O 3.54Å; V310-L440 WeakPolarHBondContact CA-O 3.3Å
311	A	98.2	Very high	94.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.8	172.5	0	0	0	0	0	110.2	L361 F363 I416 L439 L440 I441 L442	A311-L361 CarbonylContact C-O 3.38Å; A311-L361 WeakPolarHBondContact CA-O 3.47Å; A311-F363 HydrophobicContact CB-CD1 4.35Å; A311-F363 HydrophobicContact CB-CE1 4.22Å; A311-I416 HydrophobicContact CB-CD1 3.6Å; A311-I416 HydrophobicContact CB-CG2 3.8Å; A311-L439 HydrophobicContact CB-CD1 3.97Å; A311-L440 PolarHBondContact N-O 2.64Å; A311-I441 HydrophobicContact CB-CG1 4.27Å; A311-I441 WeakPolarHBondContact O-CA 3.45Å; A311-L442 PolarHBondContact O-N 3.06Å
312	I	98.4	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.4	-174.7	-53.1	178	0	0	0	109.8	V310 F314 Y338 L342 L361 G362 F363 I379 Y398	V310-I312 HydrophobicContact CG1-CD1 4.2Å; V310-I312 HydrophobicContact CG1-CG1 3.76Å; I312-F314 HydrophobicContact CB-CD2 4.34Å; I312-F314 HydrophobicContact CB-CE2 3.78Å; I312-F314 HydrophobicContact CB-CZ 4.2Å; I312-F314 HydrophobicContact CG2-CD2 4.29Å; I312-F314 HydrophobicContact CG2-CE1 4.31Å; I312-F314 HydrophobicContact CG2-CE2 3.88Å; I312-F314 HydrophobicContact CG2-CZ 3.91Å; I312-F314 VanDerWaalsContact O-CD2 3.24Å; I312-F314 WeakPolarHBondContact O-CD2 3.29Å; I312-F314 PolarHBondContact O-N 2.99Å; I312-Y338 HydrophobicContact CG2-CD1 3.93Å; I312-Y338 HydrophobicContact CG2-CE1 4.11Å; I312-L342 HydrophobicContact CD1-CD1 3.95Å; I312-L342 HydrophobicContact CD1-CD2 4.35Å; I312-L361 PolarHBondContact N-O 3.27Å; I312-G362 VanDerWaalsContact O-CA 3.29Å; I312-G362 WeakPolarHBondContact O-CA 3.43Å; I312-F363 VanDerWaalsContact C-CE1 3.41Å; I312-F363 WeakPolarHBondContact O-CD1 3.3Å; I312-F363 PolarHBondContact O-N 2.84Å; I312-I379 HydrophobicContact CD1-CD1 4.04Å; I312-Y398 HydrophobicContact CD1-CD2 3.57Å; I312-Y398 HydrophobicContact CD1-CE2 4.34Å; I312-Y398 HydrophobicContact CD1-CG 4.1Å; I312-Y398 HydrophobicContact CG2-CD2 4.11Å; I312-Y398 HydrophobicContact CG2-CE2 3.93Å
313	D	97.6	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.9	171	-171.9	-12.8	0	0	0	110.2	T315 H328 Y338 F363 L442 T443 D444	D313-T315 WeakPolarHBondContact OD1-CB 3.41Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.35Å; D313-T315 PolarHBondContact OD1-N 2.94Å; D313-T315 PolarHBondContact OD1-OG1 3.33Å; D313-T315 PolarHBondContact OD2-OG1 3.31Å; D313-H328 PolarHBondContact O-CE1 2.93Å; D313-H328 PolarHBondContact O-NE2 2.98Å; D313-Y338 HydrophobicContact CB-CE1 4.42Å; D313-F363 HydrophobicContact CB-CE1 4.06Å; D313-F363 HydrophobicContact CB-CE2 3.72Å; D313-F363 HydrophobicContact CB-CZ 3.45Å; D313-F363 VanDerWaalsContact CB-CZ 3.45Å; D313-F363 VanDerWaalsContact N-CE1 3.29Å; D313-L442 WeakPolarHBondContact CB-O 3.14Å; D313-L442 PolarHBondContact N-O 3.46Å; D313-T443 WeakPolarHBondContact OD2-CA 3.46Å; D313-T443 WeakPolarHBondContact OD2-CB 3.31Å; D313-T443 PolarHBondContact OD2-OG1 3.25Å; D313-D444 PolarHBondContact OD2-N 2.93Å
314	F	97.8	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.			trans	-121	33	173.6	-69.1	-77.8	0	0	0	111.3	I312 H328 F363 A365 F377 I379 Y398 C401 L402 I405 L407 Y408	I312-F314 HydrophobicContact CB-CD2 4.34Å; I312-F314 HydrophobicContact CB-CE2 3.78Å; I312-F314 HydrophobicContact CB-CZ 4.2Å; I312-F314 HydrophobicContact CG2-CD2 4.29Å; I312-F314 HydrophobicContact CG2-CE1 4.31Å; I312-F314 HydrophobicContact CG2-CE2 3.88Å; I312-F314 HydrophobicContact CG2-CZ 3.91Å; I312-F314 VanDerWaalsContact O-CD2 3.24Å; I312-F314 WeakPolarHBondContact O-CD2 3.29Å; I312-F314 PolarHBondContact O-N 2.99Å; F314-H328 AromaticContact CD1-CE1 3.98Å; F314-H328 AromaticContact CD1-NE2 3.86Å; F314-F363 PolarHBondContact N-O 2.83Å; F314-A365 HydrophobicContact CB-CB 3.73Å; F314-F377 HydrophobicContact CD2-CE1 4.47Å; F314-F377 AromaticContact CD2-CZ 3.75Å; F314-F377 HydrophobicContact CD2-CZ 3.75Å; F314-F377 HydrophobicContact CE2-CZ 4.13Å; F314-F377 HydrophobicContact CG-CZ 4.5Å; F314-I379 HydrophobicContact CE2-CG2 3.86Å; F314-I379 HydrophobicContact CZ-CG2 4.38Å; F314-Y398 AromaticContact CE1-CD2 3.94Å; F314-Y398 HydrophobicContact CE1-CD2 3.94Å; F314-Y398 AromaticContact CE1-CE2 3.79Å; F314-Y398 HydrophobicContact CE1-CE2 3.79Å; F314-Y398 AromaticContact CZ-CD2 3.74Å; F314-Y398 HydrophobicContact CZ-CD2 3.74Å; F314-Y398 HydrophobicContact CZ-CE2 4.03Å; F314-C401 HydrophobicContact CZ-CB 4.48Å; F314-L402 HydrophobicContact CD1-CD1 3.91Å; F314-L402 HydrophobicContact CE1-CD1 3.8Å; F314-I405 HydrophobicContact CB-CD1 3.68Å; F314-I405 HydrophobicContact CD1-CD1 3.33Å; F314-I405 HydrophobicContact CD2-CD1 4.07Å; F314-I405 HydrophobicContact CE1-CD1 3.81Å; F314-I405 HydrophobicContact CE2-CD1 4.49Å; F314-I405 HydrophobicContact CG-CD1 3.44Å; F314-I405 VanDerWaalsContact CG-CD1 3.44Å; F314-I405 HydrophobicContact CZ-CD1 4.35Å; F314-L407 HydrophobicContact CB-CD2 3.85Å; F314-L407 HydrophobicContact CD1-CD2 4.1Å; F314-L407 HydrophobicContact CG-CD2 4.49Å; F314-L407 WeakPolarHBondContact O-CA 3.42Å; F314-L407 WeakPolarHBondContact O-CB 3.31Å; F314-L407 WeakPolarHBondContact O-CD2 3.26Å; F314-Y408 PolarHBondContact O-N 3.24Å
315	T	96.9	Very high	95.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-74.2	157	175.7	57.8	0	0	0	0	112.5	D313 S317 N318 Y408	D313-T315 WeakPolarHBondContact OD1-CB 3.41Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.35Å; D313-T315 PolarHBondContact OD1-N 2.94Å; D313-T315 PolarHBondContact OD1-OG1 3.33Å; D313-T315 PolarHBondContact OD2-OG1 3.31Å; T315-S317 PolarHBondContact O-N 3.29Å; T315-S317 PolarHBondContact OG1-OG 2.94Å; T315-N318 WeakPolarHBondContact O-CB 3.27Å; T315-N318 PolarHBondContact O-N 3.32Å; T315-N318 PolarHBondContact O-ND2 3.42Å; T315-N318 PolarHBondContact OG1-ND2 2.65Å; T315-Y408 CarbonylContact C-O 3.58Å; T315-Y408 WeakPolarHBondContact CA-O 3.39Å; T315-Y408 VanDerWaalsContact CB-O 3.29Å; T315-Y408 WeakPolarHBondContact CB-O 3.13Å
316	A	95.7	Very high	95.4	Very high	56 Å²	56	38.9 Å²	38.9	46%	0.463	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.7	-16.5	-175.4	0	0	0	0	0	113.5	N318 G319 L407 Y408	A316-N318 PolarHBondContact O-N 3.46Å; A316-G319 PolarHBondContact O-N 3.05Å; A316-G319 VanDerWaalsContact O-N 3.08Å; A316-L407 HydrophobicContact CB-CB 4.36Å; A316-Y408 PolarHBondContact N-O 3.27Å
317	S	94.6	Very high	95.5	Very high	74 Å²	74	40.9 Å²	40.9	52%	0.517	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.1	-29.8	172	39.1	0	0	0	0	112.3	T315 G319 D444	T315-S317 PolarHBondContact O-N 3.29Å; T315-S317 PolarHBondContact OG1-OG 2.94Å; S317-G319 PolarHBondContact O-N 3.37Å; S317-G319 VanDerWaalsContact O-N 3.13Å; S317-D444 WeakPolarHBondContact CB-OD2 3.46Å; S317-D444 PolarHBondContact OG-OD1 3.08Å; S317-D444 PolarHBondContact OG-OD2 3.03Å
318	N	95.8	Very high	95.6	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-65.6	-14.9	177.3	-71.5	-81.4	0	0	0	114.2	T315 A316 S326 L327 H328 Y338 L407 D444	T315-N318 WeakPolarHBondContact O-CB 3.27Å; T315-N318 PolarHBondContact O-N 3.32Å; T315-N318 PolarHBondContact O-ND2 3.42Å; T315-N318 PolarHBondContact OG1-ND2 2.65Å; A316-N318 PolarHBondContact O-N 3.46Å; N318-S326 VanDerWaalsContact O-CA 3.3Å; N318-S326 WeakPolarHBondContact O-CA 3.36Å; N318-S326 WeakPolarHBondContact O-CB 3.35Å; N318-S326 PolarHBondContact O-OG 3.01Å; N318-L327 HydrophobicContact CB-CB 4.4Å; N318-L327 PolarHBondContact O-N 2.79Å; N318-H328 WeakPolarHBondContact CB-CD2 3.29Å; N318-Y338 PolarHBondContact ND2-OH 3Å; N318-Y338 VanDerWaalsContact OD1-CE2 3.24Å; N318-Y338 WeakPolarHBondContact OD1-CE2 3.43Å; N318-Y338 PolarHBondContact OD1-OH 3.36Å; N318-L407 HydrophobicContact CB-CD1 4.35Å; N318-D444 WeakPolarHBondContact CA-OD2 3.49Å; N318-D444 VanDerWaalsContact CG-CG 3.42Å; N318-D444 PolarHBondContact N-OD2 2.83Å; N318-D444 VanDerWaalsContact N-OD2 3.12Å; N318-D444 VanDerWaalsContact ND2-CG 3.27Å; N318-D444 PolarHBondContact ND2-OD1 2.87Å; N318-D444 VanDerWaalsContact OD1-CB 3.28Å; N318-D444 WeakPolarHBondContact OD1-CB 3.26Å; N318-D444 VanDerWaalsContact OD1-CG 3.28Å
319	G	94.3	Very high	95.7	Very high	29 Å²	29	42.2 Å²	42.2	30%	0.299	24%	0.243	S	C	.	.			trans	74.9	162.5	-177.2	0	0	0	0	0	113.8	A316 S317 P321 S326 L407	A316-G319 PolarHBondContact O-N 3.05Å; A316-G319 VanDerWaalsContact O-N 3.08Å; S317-G319 PolarHBondContact O-N 3.37Å; S317-G319 VanDerWaalsContact O-N 3.13Å; G319-P321 WeakPolarHBondContact O-CD 3.22Å; G319-S326 PolarHBondContact O-OG 3.09Å; G319-L407 WeakPolarHBondContact O-CD1 3.39Å
320	D	93.8	Very high	95.5	Very high	72 Å²	72	44.8 Å²	44.8	39%	0.385	26%	0.255	S	S	.	.			trans	-57.7	119.2	-177.4	-173.5	-28.9	0	0	0	111.6	R322 N323 S326	D320-R322 PolarHBondContact O-N 2.81Å; D320-R322 WeakPolarHBondContact OD1-CB 3.23Å; D320-R322 WeakPolarHBondContact OD1-CG 3.4Å; D320-R322 IonicContact OD1-CZ 3.78Å; D320-R322 PolarHBondContact OD1-N 3.12Å; D320-R322 IonicContact OD1-NE 3.9Å; D320-R322 PolarHBondContact OD1-NE 2.87Å; D320-R322 IonicContact OD1-NH2 2.77Å; D320-R322 IonicContact OD2-CZ 3.35Å; D320-R322 IonicContact OD2-NE 3.97Å; D320-R322 PolarHBondContact OD2-NE 2.86Å; D320-R322 IonicContact OD2-NH2 2.65Å; D320-R322 PolarHBondContact OD2-NH2 2.85Å; D320-N323 VanDerWaalsContact O-CB 3.32Å; D320-N323 WeakPolarHBondContact O-CB 3.42Å; D320-N323 PolarHBondContact O-N 3.16Å; D320-S326 WeakPolarHBondContact O-CB 3.35Å
321	P	94.3	Very high	95.2	Very high	30 Å²	30	47.7 Å²	47.7	20%	0.195	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16	-176.9	-27.4	36.6	0	0	0	115.5	G319 N323 H328 Y329 L402 L407	G319-P321 WeakPolarHBondContact O-CD 3.22Å; P321-N323 VanDerWaalsContact C-N 3.32Å; P321-H328 HydrophobicContact CB-CB 4.24Å; P321-H328 HydrophobicContact CG-CB 4.16Å; P321-Y329 WeakPolarHBondContact O-CD2 3.46Å; P321-L402 HydrophobicContact CB-CD1 4.12Å; P321-L402 HydrophobicContact CB-CD2 3.86Å; P321-L402 HydrophobicContact CB-CG 3.85Å; P321-L402 HydrophobicContact CG-CD1 3.64Å; P321-L402 HydrophobicContact CG-CD2 4.33Å; P321-L402 HydrophobicContact CG-CG 3.88Å; P321-L407 HydrophobicContact CG-CD1 3.88Å; P321-L407 HydrophobicContact CG-CG 4.33Å
322	R	91.4	Very high	94.7	Very high	207 Å²	207	52.9 Å²	52.9	78%	0.781	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.2	175.7	-60.4	171.4	-67.8	-175	1.4	112.5	D320	D320-R322 PolarHBondContact O-N 2.81Å; D320-R322 WeakPolarHBondContact OD1-CB 3.23Å; D320-R322 WeakPolarHBondContact OD1-CG 3.4Å; D320-R322 IonicContact OD1-CZ 3.78Å; D320-R322 PolarHBondContact OD1-N 3.12Å; D320-R322 IonicContact OD1-NE 3.9Å; D320-R322 PolarHBondContact OD1-NE 2.87Å; D320-R322 IonicContact OD1-NH2 2.77Å; D320-R322 IonicContact OD2-CZ 3.35Å; D320-R322 IonicContact OD2-NE 3.97Å; D320-R322 PolarHBondContact OD2-NE 2.86Å; D320-R322 IonicContact OD2-NH2 2.65Å; D320-R322 PolarHBondContact OD2-NH2 2.85Å
323	N	94.1	Very high	94.3	Very high	84 Å²	84	63 Å²	63	45%	0.449	34%	0.344	S	S	.	.	S	Bend	trans	-88.7	134.1	178.4	-172.8	-17.3	0	0	0	110.1	D320 P321 C325 S326 Y329	D320-N323 VanDerWaalsContact O-CB 3.32Å; D320-N323 WeakPolarHBondContact O-CB 3.42Å; D320-N323 PolarHBondContact O-N 3.16Å; P321-N323 VanDerWaalsContact C-N 3.32Å; N323-C325 PolarHBondContact O-N 2.88Å; N323-C325 VanDerWaalsContact O-N 3.11Å; N323-C325 PolarHBondContact OD1-N 3.13Å; N323-S326 WeakPolarHBondContact O-CB 3.36Å; N323-S326 PolarHBondContact O-N 3.38Å; N323-Y329 WeakPolarHBondContact O-CB 3.13Å; N323-Y329 WeakPolarHBondContact O-CD2 3.47Å
324	S	93.1	Very high	93.9	Very high	84 Å²	84	68.4 Å²	68.4	59%	0.587	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.6	178.1	58	0	0	0	0	114.5
325	C	92.6	Very high	93.6	Very high	110 Å²	110	71.2 Å²	71.2	74%	0.743	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.8	174.6	-60.9	0	0	0	0	113.9	N323	N323-C325 PolarHBondContact O-N 2.88Å; N323-C325 VanDerWaalsContact O-N 3.11Å; N323-C325 PolarHBondContact OD1-N 3.13Å
326	S	96	Very high	93.5	Very high	11 Å²	11	72 Å²	72	8%	0.077	39%	0.391	C	S	.	.	S	Bend	trans	-71.4	144	178.1	170.7	0	0	0	0	111.3	N318 G319 D320 N323 H328 Y329	N318-S326 VanDerWaalsContact O-CA 3.3Å; N318-S326 WeakPolarHBondContact O-CA 3.36Å; N318-S326 WeakPolarHBondContact O-CB 3.35Å; N318-S326 PolarHBondContact O-OG 3.01Å; G319-S326 PolarHBondContact O-OG 3.09Å; D320-S326 WeakPolarHBondContact O-CB 3.35Å; N323-S326 WeakPolarHBondContact O-CB 3.36Å; N323-S326 PolarHBondContact O-N 3.38Å; S326-H328 PolarHBondContact O-N 2.88Å; S326-H328 PolarHBondContact OG-N 2.79Å; S326-Y329 VanDerWaalsContact O-CB 3.28Å; S326-Y329 WeakPolarHBondContact O-CB 3.25Å; S326-Y329 PolarHBondContact O-N 3.31Å; S326-Y329 VanDerWaalsContact O-N 3.15Å
327	L	96.3	Very high	93.5	Very high	43 Å²	43	70.7 Å²	70.7	23%	0.225	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.9	173	-63.9	175.9	0	0	0	112.3	N318 N336 Y338 D444 V472	N318-L327 HydrophobicContact CB-CB 4.4Å; N318-L327 PolarHBondContact O-N 2.79Å; L327-N336 VanDerWaalsContact O-CB 3.31Å; L327-N336 WeakPolarHBondContact O-CB 3.15Å; L327-Y338 HydrophobicContact CB-CE2 3.97Å; L327-D444 HydrophobicContact CD1-CB 3.38Å; L327-V472 HydrophobicContact CD1-CG2 4.48Å
328	H	97.2	Very high	93.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.5	173.4	-72.5	-54.1	0	0	0	113.9	D313 F314 N318 P321 S326 I330 N336 Y338 Y398 L402	D313-H328 PolarHBondContact O-CE1 2.93Å; D313-H328 PolarHBondContact O-NE2 2.98Å; F314-H328 AromaticContact CD1-CE1 3.98Å; F314-H328 AromaticContact CD1-NE2 3.86Å; N318-H328 WeakPolarHBondContact CB-CD2 3.29Å; P321-H328 HydrophobicContact CB-CB 4.24Å; P321-H328 HydrophobicContact CG-CB 4.16Å; S326-H328 PolarHBondContact O-N 2.88Å; S326-H328 PolarHBondContact OG-N 2.79Å; H328-I330 PolarHBondContact O-N 2.86Å; H328-I330 VanDerWaalsContact O-N 3.13Å; H328-N336 PolarHBondContact O-ND2 3.17Å; H328-Y338 AromaticContact CE1-CD2 3.75Å; H328-Y338 AromaticContact CE1-CE2 3.41Å; H328-Y338 VanDerWaalsContact CE1-CE2 3.41Å; H328-Y338 WeakPolarHBondContact CE1-CE2 3.4Å; H328-Y338 AromaticContact CE1-CZ 3.58Å; H328-Y338 AromaticContact ND1-CD2 3.56Å; H328-Y338 AromaticContact ND1-CE2 3.58Å; H328-Y398 AromaticContact ND1-CE2 3.74Å; H328-Y398 AromaticContact ND1-CZ 3.72Å; H328-Y398 PolarHBondContact ND1-OH 2.81Å; H328-L402 HydrophobicContact CB-CD1 3.75Å; H328-L402 HydrophobicContact CB-CD2 3.9Å; H328-L402 HydrophobicContact CB-CG 4.44Å; H328-L402 VanDerWaalsContact O-CD2 3.31Å; H328-L402 WeakPolarHBondContact O-CD2 2.89Å
329	Y	96.5	Very high	93.6	Very high	72 Å²	72	67.5 Å²	67.5	28%	0.282	35%	0.353	S	S	.	.			trans	-55.8	123.5	-178	-177.7	-114.8	0	0	0	111.3	P321 N323 S326 N331 N336	P321-Y329 WeakPolarHBondContact O-CD2 3.46Å; N323-Y329 WeakPolarHBondContact O-CB 3.13Å; N323-Y329 WeakPolarHBondContact O-CD2 3.47Å; S326-Y329 VanDerWaalsContact O-CB 3.28Å; S326-Y329 WeakPolarHBondContact O-CB 3.25Å; S326-Y329 PolarHBondContact O-N 3.31Å; S326-Y329 VanDerWaalsContact O-N 3.15Å; Y329-N331 HydrophobicContact CD1-CB 3.75Å; Y329-N331 HydrophobicContact CE1-CB 3.6Å; Y329-N331 PolarHBondContact O-N 2.91Å; Y329-N336 PolarHBondContact O-ND2 2.92Å
330	I	93.8	Very high	93.7	Very high	64 Å²	64	69 Å²	69	33%	0.328	35%	0.351	S	S	.	.			trans	-89	89.9	177.1	-53.1	-59.6	0	0	0	108.1	H328 L339 Y398 Q399 L402	H328-I330 PolarHBondContact O-N 2.86Å; H328-I330 VanDerWaalsContact O-N 3.13Å; I330-L339 HydrophobicContact CD1-CD1 4.26Å; I330-Y398 HydrophobicContact CD1-CE1 3.82Å; I330-Q399 HydrophobicContact CD1-CG 4.27Å; I330-L402 HydrophobicContact CD1-CD2 3.99Å; I330-L402 HydrophobicContact CG1-CD2 3.85Å
331	N	90.1	Very high	93.7	Very high	60 Å²	60	65.5 Å²	65.5	32%	0.321	33%	0.333	S	S	.	.			trans	-80.9	132	177.7	179.5	-24.7	0	0	0	110.3	Y329 Y333 Q334	Y329-N331 HydrophobicContact CD1-CB 3.75Å; Y329-N331 HydrophobicContact CE1-CB 3.6Å; Y329-N331 PolarHBondContact O-N 2.91Å; N331-Y333 PolarHBondContact O-N 3.09Å; N331-Y333 PolarHBondContact OD1-N 3.06Å; N331-Q334 WeakPolarHBondContact CB-O 3.42Å
332	P	88.8	Confident	93.7	Very high	109 Å²	109	64.1 Å²	64.1	71%	0.708	32%	0.323	S	S	*	.	S	Bend	trans	-66.6	-16	179.8	26.3	-35.2	0	0	0	114.7
333	Y	89.3	Confident	93.9	Very high	214 Å²	214	57 Å²	57	84%	0.839	30%	0.3	S	S	*	.	S	Bend	trans	-108.1	-26.5	-176	-58.3	-71.7	0	0	0	114.2	N331	N331-Y333 PolarHBondContact O-N 3.09Å; N331-Y333 PolarHBondContact OD1-N 3.06Å
334	Q	89.4	Confident	93.8	Very high	113 Å²	113	53.1 Å²	53.1	53%	0.528	28%	0.28	S	S	.	.	S	Bend	trans	-143.9	131.9	-176.4	-166.8	179.1	24.1	0	0	111.2	N331	N331-Q334 WeakPolarHBondContact CB-O 3.42Å
335	P	92.8	Very high	93.7	Very high	58 Å²	58	49.1 Å²	49.1	38%	0.377	25%	0.252	S	S	.	.			trans	-64.6	146.4	174	25.5	-32.8	0	0	0	111.5	L339 K340	P335-L339 HydrophobicContact CB-CB 3.68Å; P335-L339 HydrophobicContact CB-CD1 4.19Å; P335-K340 HydrophobicContact CB-CG 4.09Å; P335-K340 HydrophobicContact CG-CG 3.78Å; P335-K340 WeakPolarHBondContact O-CE 3.1Å
336	N	94.8	Very high	93.7	Very high	18 Å²	18	43.9 Å²	43.9	10%	0.096	22%	0.217	C	C	.	.			trans	-71.7	173.3	168.9	58	44.2	0	0	0	111.8	L327 H328 Y329 Y338 L339 K340	L327-N336 VanDerWaalsContact O-CB 3.31Å; L327-N336 WeakPolarHBondContact O-CB 3.15Å; H328-N336 PolarHBondContact O-ND2 3.17Å; Y329-N336 PolarHBondContact O-ND2 2.92Å; N336-Y338 VanDerWaalsContact C-N 3.32Å; N336-Y338 PolarHBondContact O-N 3.19Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.48Å; N336-Y338 PolarHBondContact OD1-N 3.43Å; N336-L339 PolarHBondContact O-N 3.33Å; N336-L339 WeakPolarHBondContact OD1-CG 3.44Å; N336-L339 PolarHBondContact OD1-N 2.71Å; N336-K340 WeakPolarHBondContact O-CG 3.48Å; N336-K340 PolarHBondContact O-N 3.41Å
337	E	95.3	Very high	93.5	Very high	30 Å²	30	47.3 Å²	47.3	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-37.8	-175.5	-60.1	-170.3	-178.2	0	0	112.1	K340 A341 V472 G473 F508 K512	E337-K340 PolarHBondContact O-N 2.97Å; E337-A341 WeakPolarHBondContact O-CB 3.31Å; E337-A341 PolarHBondContact O-N 3.14Å; E337-V472 HydrophobicContact CB-CB 4.06Å; E337-V472 HydrophobicContact CB-CG1 3.96Å; E337-G473 PolarHBondContact OE2-N 3.19Å; E337-F508 HydrophobicContact CB-CD1 3.8Å; E337-F508 HydrophobicContact CB-CE1 3.84Å; E337-F508 HydrophobicContact CB-CG 4.25Å; E337-F508 HydrophobicContact CB-CZ 4.27Å; E337-F508 HydrophobicContact CG-CD1 3.7Å; E337-F508 HydrophobicContact CG-CE1 3.58Å; E337-F508 HydrophobicContact CG-CZ 4.38Å; E337-F508 WeakPolarHBondContact OE2-CD1 3.43Å; E337-K512 WeakPolarHBondContact OE1-CE 3.28Å; E337-K512 IonicContact OE1-NZ 2.64Å; E337-K512 PolarHBondContact OE1-NZ 3.22Å
338	Y	96.9	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-54.8	172.4	-72.2	-83.8	0	0	0	111.8	I312 D313 N318 L327 H328 N336 K340 A341 L342 L442 D444 V472	I312-Y338 HydrophobicContact CG2-CD1 3.93Å; I312-Y338 HydrophobicContact CG2-CE1 4.11Å; D313-Y338 HydrophobicContact CB-CE1 4.42Å; N318-Y338 PolarHBondContact ND2-OH 3Å; N318-Y338 VanDerWaalsContact OD1-CE2 3.24Å; N318-Y338 WeakPolarHBondContact OD1-CE2 3.43Å; N318-Y338 PolarHBondContact OD1-OH 3.36Å; L327-Y338 HydrophobicContact CB-CE2 3.97Å; H328-Y338 AromaticContact CE1-CD2 3.75Å; H328-Y338 AromaticContact CE1-CE2 3.41Å; H328-Y338 VanDerWaalsContact CE1-CE2 3.41Å; H328-Y338 WeakPolarHBondContact CE1-CE2 3.4Å; H328-Y338 AromaticContact CE1-CZ 3.58Å; H328-Y338 AromaticContact ND1-CD2 3.56Å; H328-Y338 AromaticContact ND1-CE2 3.58Å; N336-Y338 VanDerWaalsContact C-N 3.32Å; N336-Y338 PolarHBondContact O-N 3.19Å; N336-Y338 WeakPolarHBondContact OD1-CB 3.48Å; N336-Y338 PolarHBondContact OD1-N 3.43Å; Y338-K340 VanDerWaalsContact C-N 3.3Å; Y338-K340 PolarHBondContact O-N 3.33Å; Y338-A341 PolarHBondContact O-N 3.04Å; Y338-L342 WeakPolarHBondContact O-CB 3.4Å; Y338-L342 VanDerWaalsContact O-CG 3.26Å; Y338-L342 WeakPolarHBondContact O-CG 3.35Å; Y338-L342 PolarHBondContact O-N 3.44Å; Y338-L442 HydrophobicContact CD1-CB 3.58Å; Y338-L442 HydrophobicContact CD1-CD1 3.91Å; Y338-L442 HydrophobicContact CD1-CG 4.4Å; Y338-L442 HydrophobicContact CE1-CB 3.69Å; Y338-D444 PolarHBondContact OH-N 2.93Å; Y338-V472 HydrophobicContact CD1-CG2 4.45Å; Y338-V472 HydrophobicContact CD2-CG2 4.19Å; Y338-V472 HydrophobicContact CE1-CG2 3.85Å; Y338-V472 HydrophobicContact CE2-CG2 3.57Å; Y338-V472 WeakPolarHBondContact OH-CG2 3.17Å
339	L	95.8	Very high	93.1	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-39.8	179.6	-76.8	173.3	0	0	0	112.4	I330 P335 N336 L342 I343 V395 Y398	I330-L339 HydrophobicContact CD1-CD1 4.26Å; P335-L339 HydrophobicContact CB-CB 3.68Å; P335-L339 HydrophobicContact CB-CD1 4.19Å; N336-L339 PolarHBondContact O-N 3.33Å; N336-L339 WeakPolarHBondContact OD1-CG 3.44Å; N336-L339 PolarHBondContact OD1-N 2.71Å; L339-L342 HydrophobicContact CD2-CD1 4.46Å; L339-I343 WeakPolarHBondContact O-CB 3.42Å; L339-I343 WeakPolarHBondContact O-CD1 3.26Å; L339-I343 VanDerWaalsContact O-CG1 3.25Å; L339-I343 WeakPolarHBondContact O-CG1 3.11Å; L339-I343 PolarHBondContact O-N 3.07Å; L339-V395 HydrophobicContact CD2-CB 4.37Å; L339-V395 HydrophobicContact CD2-CG1 3.78Å; L339-V395 HydrophobicContact CD2-CG2 4.1Å; L339-Y398 HydrophobicContact CD1-CE1 4.32Å; L339-Y398 HydrophobicContact CD2-CD1 3.66Å; L339-Y398 HydrophobicContact CD2-CE1 3.86Å; L339-Y398 HydrophobicContact CG-CD1 4.14Å; L339-Y398 HydrophobicContact CG-CE1 3.79Å
340	K	94.8	Very high	92.9	Very high	59 Å²	59	44.2 Å²	44.2	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-45.7	176.8	-72.6	175	-179.9	170.4	0	111.5	P335 N336 E337 Y338 A344 F508	P335-K340 HydrophobicContact CB-CG 4.09Å; P335-K340 HydrophobicContact CG-CG 3.78Å; P335-K340 WeakPolarHBondContact O-CE 3.1Å; N336-K340 WeakPolarHBondContact O-CG 3.48Å; N336-K340 PolarHBondContact O-N 3.41Å; E337-K340 PolarHBondContact O-N 2.97Å; Y338-K340 VanDerWaalsContact C-N 3.3Å; Y338-K340 PolarHBondContact O-N 3.33Å; K340-A344 VanDerWaalsContact O-CB 3.23Å; K340-A344 WeakPolarHBondContact O-CB 3.45Å; K340-A344 PolarHBondContact O-N 3.26Å; K340-F508 HydrophobicContact CB-CE2 3.81Å; K340-F508 HydrophobicContact CB-CZ 3.67Å; K340-F508 HydrophobicContact CD-CE1 4.42Å; K340-F508 HydrophobicContact CD-CZ 3.74Å; K340-F508 HydrophobicContact CG-CZ 4.37Å
341	A	94.8	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-45.1	178	0	0	0	0	0	111.9	E337 Y338 I343 A344 V345 L442 V470 F508 L519	E337-A341 WeakPolarHBondContact O-CB 3.31Å; E337-A341 PolarHBondContact O-N 3.14Å; Y338-A341 PolarHBondContact O-N 3.04Å; A341-I343 PolarHBondContact O-N 3.33Å; A341-A344 PolarHBondContact O-N 3.32Å; A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 3.27Å; A341-V345 VanDerWaalsContact O-N 3.1Å; A341-L442 HydrophobicContact CB-CD1 4.33Å; A341-L442 HydrophobicContact CB-CD2 3.83Å; A341-V470 HydrophobicContact CB-CG1 4.19Å; A341-F508 HydrophobicContact CB-CD2 4.18Å; A341-F508 HydrophobicContact CB-CE2 4.3Å; A341-L519 HydrophobicContact CB-CD2 4.34Å
342	L	94.9	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54.1	-53.5	176	-72.5	174.1	0	0	0	111.6	V310 I312 Y338 L339 G346 I391 L442	V310-L342 HydrophobicContact CB-CD2 4.29Å; V310-L342 HydrophobicContact CG1-CD2 3.2Å; V310-L342 HydrophobicContact CG2-CD2 4.12Å; I312-L342 HydrophobicContact CD1-CD1 3.95Å; I312-L342 HydrophobicContact CD1-CD2 4.35Å; Y338-L342 WeakPolarHBondContact O-CB 3.4Å; Y338-L342 VanDerWaalsContact O-CG 3.26Å; Y338-L342 WeakPolarHBondContact O-CG 3.35Å; Y338-L342 PolarHBondContact O-N 3.44Å; L339-L342 HydrophobicContact CD2-CD1 4.46Å; L342-G346 WeakPolarHBondContact O-CA 3.34Å; L342-G346 PolarHBondContact O-N 3.17Å; L342-I391 HydrophobicContact CB-CD1 4.39Å; L342-I391 WeakPolarHBondContact O-CD1 3.28Å; L342-L442 HydrophobicContact CD1-CD1 4.42Å; L342-L442 HydrophobicContact CD2-CD1 3.54Å; L342-L442 HydrophobicContact CG-CD1 3.59Å
343	I	93.8	Very high	92.9	Very high	57 Å²	57	34.5 Å²	34.5	29%	0.292	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-46.8	-177.5	-66.5	166.3	0	0	0	110.2	L339 A341 V345 E347 V395	L339-I343 WeakPolarHBondContact O-CB 3.42Å; L339-I343 WeakPolarHBondContact O-CD1 3.26Å; L339-I343 VanDerWaalsContact O-CG1 3.25Å; L339-I343 WeakPolarHBondContact O-CG1 3.11Å; L339-I343 PolarHBondContact O-N 3.07Å; A341-I343 PolarHBondContact O-N 3.33Å; I343-V345 VanDerWaalsContact C-N 3.35Å; I343-V345 PolarHBondContact O-N 2.83Å; I343-E347 HydrophobicContact CG2-CG 4.05Å; I343-E347 VanDerWaalsContact O-CB 3.24Å; I343-E347 WeakPolarHBondContact O-CB 3.48Å; I343-E347 VanDerWaalsContact O-CG 3.27Å; I343-E347 WeakPolarHBondContact O-CG 3.42Å; I343-E347 PolarHBondContact O-N 2.91Å; I343-V395 HydrophobicContact CD1-CG2 4.44Å; I343-V395 HydrophobicContact CG1-CG2 4.02Å
344	A	92.3	Very high	92.8	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-43.4	-176.7	0	0	0	0	0	113	K340 A341 P516 L519	K340-A344 VanDerWaalsContact O-CB 3.23Å; K340-A344 WeakPolarHBondContact O-CB 3.45Å; K340-A344 PolarHBondContact O-N 3.26Å; A341-A344 PolarHBondContact O-N 3.32Å; A344-P516 HydrophobicContact CB-CB 4.14Å; A344-L519 HydrophobicContact CB-CD2 4.13Å
345	V	92.1	Very high	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-82.8	-46	-178.6	-177.8	0	0	0	0	111	F308 A341 I343 E347 I348 C349 L440 V523 L524	F308-V345 HydrophobicContact CE2-CG1 3.82Å; F308-V345 HydrophobicContact CZ-CB 4.36Å; F308-V345 HydrophobicContact CZ-CG1 3.76Å; A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 3.27Å; A341-V345 VanDerWaalsContact O-N 3.1Å; I343-V345 VanDerWaalsContact C-N 3.35Å; I343-V345 PolarHBondContact O-N 2.83Å; V345-E347 VanDerWaalsContact C-N 3.29Å; V345-E347 PolarHBondContact O-N 3.45Å; V345-I348 PolarHBondContact O-N 2.95Å; V345-C349 PolarHBondContact O-N 2.89Å; V345-C349 VanDerWaalsContact O-N 3.13Å; V345-L440 HydrophobicContact CB-CD2 4.01Å; V345-L440 HydrophobicContact CG1-CD2 4.13Å; V345-L440 HydrophobicContact CG2-CD2 4.27Å; V345-V523 HydrophobicContact CG1-CG1 4.44Å; V345-V523 HydrophobicContact CG2-CB 4.26Å; V345-V523 HydrophobicContact CG2-CG1 3.61Å; V345-L524 HydrophobicContact CG1-CD1 4.48Å; V345-L524 HydrophobicContact CG1-CD2 4.08Å; V345-L524 HydrophobicContact CG1-CG 4.42Å
346	G	92.9	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-31.5	-176.9	0	0	0	0	0	113.4	L342 I348 Q350	L342-G346 WeakPolarHBondContact O-CA 3.34Å; L342-G346 PolarHBondContact O-N 3.17Å; G346-I348 PolarHBondContact O-N 2.84Å; G346-Q350 WeakPolarHBondContact O-CB 3.48Å; G346-Q350 WeakPolarHBondContact O-CG 3.41Å; G346-Q350 PolarHBondContact O-N 2.84Å; G346-Q350 VanDerWaalsContact O-N 3.15Å
347	E	92	Very high	92.7	Very high	82 Å²	82	30.3 Å²	30.3	38%	0.383	15%	0.15	S	C	.	.	H	α-helix	trans	-62.7	-27.1	176.5	-83.2	-171.6	169.6	0	0	113.6	V86 I343 V345 Q350 I391	V86-E347 HydrophobicContact CG2-CB 4.31Å; I343-E347 HydrophobicContact CG2-CG 4.05Å; I343-E347 VanDerWaalsContact O-CB 3.24Å; I343-E347 WeakPolarHBondContact O-CB 3.48Å; I343-E347 VanDerWaalsContact O-CG 3.27Å; I343-E347 WeakPolarHBondContact O-CG 3.42Å; I343-E347 PolarHBondContact O-N 2.91Å; V345-E347 VanDerWaalsContact C-N 3.29Å; V345-E347 PolarHBondContact O-N 3.45Å; E347-Q350 VanDerWaalsContact O-CG 3.27Å; E347-Q350 WeakPolarHBondContact O-CG 3.41Å; E347-Q350 PolarHBondContact O-NE2 3.29Å; E347-Q350 VanDerWaalsContact O-NE2 3.08Å; E347-I391 HydrophobicContact CG-CG2 4.38Å
348	I	92.3	Very high	92.7	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-88.6	-52	178.4	-67.4	160.2	0	0	0	110.4	F83 E84 V86 V345 G346 Q350 D351 Y352 A520 L524	F83-I348 WeakPolarHBondContact O-CG2 3.28Å; E84-I348 VanDerWaalsContact O-CD1 3.27Å; E84-I348 WeakPolarHBondContact O-CD1 3.32Å; V86-I348 HydrophobicContact CG2-CD1 4.36Å; V86-I348 HydrophobicContact CG2-CG1 3.41Å; V86-I348 VanDerWaalsContact CG2-CG1 3.41Å; V345-I348 PolarHBondContact O-N 2.95Å; G346-I348 PolarHBondContact O-N 2.84Å; I348-Q350 PolarHBondContact O-N 2.8Å; I348-Q350 VanDerWaalsContact O-N 3.16Å; I348-D351 PolarHBondContact O-N 2.88Å; I348-D351 VanDerWaalsContact O-N 3.16Å; I348-Y352 HydrophobicContact CG2-CE2 4.26Å; I348-Y352 WeakPolarHBondContact O-CD2 3.48Å; I348-Y352 WeakPolarHBondContact O-CE2 3.42Å; I348-A520 HydrophobicContact CD1-CB 3.37Å; I348-L524 HydrophobicContact CB-CD1 3.87Å; I348-L524 HydrophobicContact CD1-CD1 3.74Å; I348-L524 HydrophobicContact CG1-CD1 4.45Å; I348-L524 HydrophobicContact CG2-CD1 3.64Å
349	C	91.6	Very high	92.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-33.8	-176.1	-68.2	0	0	0	0	112.3	F308 V345 D351 Y352	F308-C349 HydrophobicContact CB-CB 3.97Å; F308-C349 HydrophobicContact CD1-CB 4.12Å; F308-C349 HydrophobicContact CD2-CB 3.85Å; F308-C349 HydrophobicContact CE2-CB 4.34Å; F308-C349 HydrophobicContact CG-CB 3.72Å; V345-C349 PolarHBondContact O-N 2.89Å; V345-C349 VanDerWaalsContact O-N 3.13Å; C349-D351 PolarHBondContact O-N 3.41Å; C349-D351 VanDerWaalsContact O-N 3.07Å; C349-Y352 PolarHBondContact O-N 2.86Å; C349-Y352 VanDerWaalsContact O-N 3.08Å
350	Q	92.3	Very high	92.8	Very high	45 Å²	45	29 Å²	29	21%	0.21	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20	-179	67.3	172.3	-39	0	0	115.2	G346 E347 I348 K356 F358	G346-Q350 WeakPolarHBondContact O-CB 3.48Å; G346-Q350 WeakPolarHBondContact O-CG 3.41Å; G346-Q350 PolarHBondContact O-N 2.84Å; G346-Q350 VanDerWaalsContact O-N 3.15Å; E347-Q350 VanDerWaalsContact O-CG 3.27Å; E347-Q350 WeakPolarHBondContact O-CG 3.41Å; E347-Q350 PolarHBondContact O-NE2 3.29Å; E347-Q350 VanDerWaalsContact O-NE2 3.08Å; I348-Q350 PolarHBondContact O-N 2.8Å; I348-Q350 VanDerWaalsContact O-N 3.16Å; Q350-K356 PolarHBondContact O-NZ 3.23Å; Q350-F358 HydrophobicContact CB-CE2 3.88Å; Q350-F358 HydrophobicContact CB-CZ 3.44Å; Q350-F358 VanDerWaalsContact CB-CZ 3.44Å
351	D	92.3	Very high	93	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.08	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.6	-179.6	-77.4	-19.8	0	0	0	112.6	T116 Q119 A122 I348 C349 K356	T116-D351 WeakPolarHBondContact CB-OD2 3.38Å; T116-D351 WeakPolarHBondContact CG2-OD2 3.23Å; T116-D351 PolarHBondContact OG1-OD2 3.38Å; Q119-D351 HydrophobicContact CG-CB 4.04Å; Q119-D351 VanDerWaalsContact CG-CG 3.49Å; Q119-D351 WeakPolarHBondContact CG-OD1 3.27Å; Q119-D351 PolarHBondContact NE2-OD1 3.47Å; A122-D351 VanDerWaalsContact CB-O 3.28Å; A122-D351 WeakPolarHBondContact CB-O 3.32Å; I348-D351 PolarHBondContact O-N 2.88Å; I348-D351 VanDerWaalsContact O-N 3.16Å; C349-D351 PolarHBondContact O-N 3.41Å; C349-D351 VanDerWaalsContact O-N 3.07Å; D351-K356 IonicContact OD1-NZ 3.09Å
352	Y	91.9	Very high	93.1	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.035	13%	0.133	C	C	.	.	S	Bend	trans	-108.5	0.9	-179.3	-53.3	-82.3	0	0	0	113.1	Y81 F83 V121 A122 I300 I306 I348 C349	Y81-Y352 WeakPolarHBondContact CE2-OH 3.27Å; Y81-Y352 VanDerWaalsContact OH-CE1 3.25Å; Y81-Y352 WeakPolarHBondContact OH-CE1 3.24Å; Y81-Y352 PolarHBondContact OH-OH 2.62Å; F83-Y352 HydrophobicContact CD2-CD2 4.32Å; F83-Y352 HydrophobicContact CD2-CE1 4.37Å; F83-Y352 AromaticContact CD2-CE2 3.76Å; F83-Y352 HydrophobicContact CD2-CE2 3.76Å; F83-Y352 AromaticContact CD2-CZ 3.8Å; F83-Y352 AromaticContact CE2-CD2 3.78Å; F83-Y352 HydrophobicContact CE2-CD2 3.78Å; F83-Y352 AromaticContact CE2-CE2 3.65Å; F83-Y352 HydrophobicContact CE2-CE2 3.65Å; F83-Y352 HydrophobicContact CE2-CG 4.33Å; V121-Y352 HydrophobicContact CG2-CE1 4.09Å; A122-Y352 HydrophobicContact CB-CD1 4.29Å; I300-Y352 HydrophobicContact CD1-CD1 4.27Å; I300-Y352 HydrophobicContact CG1-CD1 4.48Å; I300-Y352 HydrophobicContact CG2-CD1 3.92Å; I300-Y352 HydrophobicContact CG2-CE1 4.24Å; I306-Y352 HydrophobicContact CD1-CG 4.14Å; I306-Y352 PolarHBondContact N-O 3.15Å; I348-Y352 HydrophobicContact CG2-CE2 4.26Å; I348-Y352 WeakPolarHBondContact O-CD2 3.48Å; I348-Y352 WeakPolarHBondContact O-CE2 3.42Å; C349-Y352 PolarHBondContact O-N 2.86Å; C349-Y352 VanDerWaalsContact O-N 3.08Å
353	D	89.6	Confident	93.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	13%	0.133	C	C	.	.			trans	-103.7	128.1	169.6	-162.8	-43.5	0	0	0	109.3	I306 H307 D355 K356 F358	I306-D353 WeakPolarHBondContact O-CB 3.36Å; H307-D353 IonicContact ND1-OD2 2.71Å; D353-D355 PolarHBondContact OD1-N 2.73Å; D353-K356 PolarHBondContact OD1-N 2.78Å; D353-F358 HydrophobicContact CB-CE1 3.8Å; D353-F358 HydrophobicContact CB-CZ 4.48Å
354	S	85.4	Confident	93.4	Very high	81 Å²	81	23.4 Å²	23.4	57%	0.566	12%	0.119	S	C	*	.	S	Bend	trans	-78.6	-34.3	-172.4	72.2	0	0	0	0	113.9	Q305	Q305-S354 PolarHBondContact NE2-OG 3.21Å; Q305-S354 PolarHBondContact OE1-OG 3.37Å
355	D	88.4	Confident	93.6	Very high	81 Å²	81	23.2 Å²	23.2	43%	0.433	12%	0.117	S	C	.	.	S	Bend	trans	-95.3	-13.2	178	63.5	28	0	0	0	112	D353 R357	D353-D355 PolarHBondContact OD1-N 2.73Å; D355-R357 HydrophobicContact CB-CG 4.21Å; D355-R357 PolarHBondContact O-N 2.88Å; D355-R357 WeakPolarHBondContact OD1-CB 3.27Å; D355-R357 PolarHBondContact OD1-N 2.86Å
356	K	92.2	Very high	93.9	Very high	67 Å²	67	27 Å²	27	29%	0.291	13%	0.131	S	C	.	.			trans	57	31.8	-179.7	-58.4	177.8	171.7	-73.3	0	111.5	Q350 D351 D353 F358 G390	Q350-K356 PolarHBondContact O-NZ 3.23Å; D351-K356 IonicContact OD1-NZ 3.09Å; D353-K356 PolarHBondContact OD1-N 2.78Å; K356-F358 HydrophobicContact CB-CZ 4.36Å; K356-G390 WeakPolarHBondContact O-CA 3.45Å; K356-G390 PolarHBondContact O-N 2.96Å
357	R	94.3	Very high	94	Very high	86 Å²	86	29.1 Å²	29.1	33%	0.325	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.1	175.5	-62.8	-162	75	-152.9	3.4	109.5	D355 D385 E387 C388	D355-R357 HydrophobicContact CB-CG 4.21Å; D355-R357 PolarHBondContact O-N 2.88Å; D355-R357 WeakPolarHBondContact OD1-CB 3.27Å; D355-R357 PolarHBondContact OD1-N 2.86Å; R357-D385 IonicContact CZ-OD1 3.75Å; R357-D385 IonicContact CZ-OD2 2.97Å; R357-D385 IonicContact NH1-OD1 3.22Å; R357-D385 IonicContact NH1-OD2 3.1Å; R357-D385 IonicContact NH2-OD1 2.95Å; R357-D385 PolarHBondContact NH2-OD1 3.39Å; R357-D385 IonicContact NH2-OD2 2.73Å; R357-D385 PolarHBondContact NH2-OD2 2.98Å; R357-E387 HydrophobicContact CB-CB 4.05Å; R357-E387 HydrophobicContact CB-CG 4.48Å; R357-E387 IonicContact CZ-OE2 3.24Å; R357-E387 IonicContact NE-OE2 3.58Å; R357-E387 PolarHBondContact NE-OE2 2.72Å; R357-E387 IonicContact NH1-OE2 3.62Å; R357-E387 PolarHBondContact NH1-OE2 3.01Å; R357-E387 IonicContact NH2-OE2 2.68Å; R357-C388 WeakPolarHBondContact CA-O 3.33Å
358	F	95.9	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.3	-174.6	-53.7	-44.7	0	0	0	111.2	F308 Q350 D353 K356 A360 E387 C388 G390 V394	F308-F358 HydrophobicContact CB-CD1 3.76Å; F308-F358 HydrophobicContact CB-CE1 4.04Å; F308-F358 HydrophobicContact CD1-CD1 4.18Å; F308-F358 HydrophobicContact CD1-CD2 4.49Å; F308-F358 HydrophobicContact CD1-CG 4.16Å; F308-F358 HydrophobicContact CG-CD1 4.49Å; Q350-F358 HydrophobicContact CB-CE2 3.88Å; Q350-F358 HydrophobicContact CB-CZ 3.44Å; Q350-F358 VanDerWaalsContact CB-CZ 3.44Å; D353-F358 HydrophobicContact CB-CE1 3.8Å; D353-F358 HydrophobicContact CB-CZ 4.48Å; K356-F358 HydrophobicContact CB-CZ 4.36Å; F358-A360 PolarHBondContact O-N 3.43Å; F358-E387 CarbonylContact O-C 3.58Å; F358-E387 VanDerWaalsContact O-CA 3.32Å; F358-E387 WeakPolarHBondContact O-CA 3.15Å; F358-C388 PolarHBondContact N-O 2.86Å; F358-C388 PolarHBondContact O-N 2.83Å; F358-G390 VanDerWaalsContact CD2-C 3.48Å; F358-V394 HydrophobicContact CB-CG2 3.87Å; F358-V394 HydrophobicContact CD2-CG2 4.26Å
359	S	96.8	Very high	93.9	Very high	11 Å²	11	32.2 Å²	32.2	8%	0.077	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	128.5	168.5	167.1	0	0	0	0	109.5	T309 V310 D386	T309-S359 WeakPolarHBondContact CA-O 3.44Å; V310-S359 PolarHBondContact N-O 2.98Å; S359-D386 WeakPolarHBondContact CA-O 3.23Å; S359-D386 WeakPolarHBondContact CB-OD2 3.39Å; S359-D386 VanDerWaalsContact OG-CG 3.28Å; S359-D386 PolarHBondContact OG-OD2 2.87Å
360	A	97.7	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	108.6	-177.3	0	0	0	0	0	110.4	F358 I379 D386 V394	F358-A360 PolarHBondContact O-N 3.43Å; A360-I379 HydrophobicContact CB-CD1 3.6Å; A360-I379 HydrophobicContact CB-CG1 3.65Å; A360-I379 PolarHBondContact O-N 3.17Å; A360-D386 PolarHBondContact N-O 3.05Å; A360-V394 HydrophobicContact CB-CG1 4.06Å; A360-V394 HydrophobicContact CB-CG2 4.25Å
361	L	98.4	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.4	-171.2	-58.6	-179.2	0	0	0	111.9	T309 V310 A311 I312 F377 D386 I416 I420	T309-L361 HydrophobicContact CG2-CD1 4.2Å; V310-L361 PolarHBondContact O-N 2.83Å; A311-L361 CarbonylContact C-O 3.38Å; A311-L361 WeakPolarHBondContact CA-O 3.47Å; I312-L361 PolarHBondContact N-O 3.27Å; L361-F377 CarbonylContact C-O 3.53Å; L361-F377 VanDerWaalsContact CA-O 3.29Å; L361-F377 WeakPolarHBondContact CA-O 3.4Å; L361-D386 HydrophobicContact CD2-CB 4.03Å; L361-D386 WeakPolarHBondContact CD2-OD2 3.5Å; L361-I416 HydrophobicContact CB-CD1 4.24Å; L361-I416 HydrophobicContact CD1-CG2 4.41Å; L361-I420 HydrophobicContact CD1-CD1 4.1Å
362	G	97.8	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.2	173.2	0	0	0	0	0	111.5	I312 F377	I312-G362 VanDerWaalsContact O-CA 3.29Å; I312-G362 WeakPolarHBondContact O-CA 3.43Å; G362-F377 PolarHBondContact N-O 3.47Å; G362-F377 WeakPolarHBondContact O-CD1 3.18Å; G362-F377 WeakPolarHBondContact O-CE1 3.39Å; G362-F377 PolarHBondContact O-N 3.18Å
363	F	97.7	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.5	174	61.4	-83.6	0	0	0	112.5	A311 I312 D313 F314 H375 T411 V413 I416 I441	A311-F363 HydrophobicContact CB-CD1 4.35Å; A311-F363 HydrophobicContact CB-CE1 4.22Å; I312-F363 VanDerWaalsContact C-CE1 3.41Å; I312-F363 WeakPolarHBondContact O-CD1 3.3Å; I312-F363 PolarHBondContact O-N 2.84Å; D313-F363 HydrophobicContact CB-CE1 4.06Å; D313-F363 HydrophobicContact CB-CE2 3.72Å; D313-F363 HydrophobicContact CB-CZ 3.45Å; D313-F363 VanDerWaalsContact CB-CZ 3.45Å; D313-F363 VanDerWaalsContact N-CE1 3.29Å; F314-F363 PolarHBondContact N-O 2.83Å; F363-H375 HydrophobicContact CB-CB 4.35Å; F363-H375 VanDerWaalsContact CB-O 3.28Å; F363-H375 WeakPolarHBondContact CB-O 3.23Å; F363-T411 HydrophobicContact CE2-CG2 3.98Å; F363-V413 HydrophobicContact CD2-CG1 4.28Å; F363-V413 HydrophobicContact CE2-CG1 3.66Å; F363-V413 HydrophobicContact CZ-CG1 3.78Å; F363-I416 HydrophobicContact CB-CD1 3.84Å; F363-I416 HydrophobicContact CD1-CD1 3.5Å; F363-I416 HydrophobicContact CE1-CD1 4.39Å; F363-I416 HydrophobicContact CG-CD1 4.01Å; F363-I441 HydrophobicContact CE1-CG2 4Å; F363-I441 HydrophobicContact CZ-CG2 3.93Å
364	G	96.7	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	81.6	21.2	173	0	0	0	0	0	114.9	S374 Y408 G409	G364-S374 PolarHBondContact N-O 3.35Å; G364-Y408 CarbonylContact O-C 3.5Å; G364-Y408 WeakPolarHBondContact O-CA 3.19Å; G364-Y408 PolarHBondContact O-N 3.38Å; G364-G409 PolarHBondContact O-N 3.16Å
365	A	97.4	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	160.9	-179.7	0	0	0	0	0	112.5	F314 V373 S374 F377 I405 Q406	F314-A365 HydrophobicContact CB-CB 3.73Å; A365-V373 WeakPolarHBondContact O-CA 3.41Å; A365-S374 PolarHBondContact N-O 2.97Å; A365-S374 PolarHBondContact O-N 2.81Å; A365-F377 HydrophobicContact CB-CE1 4Å; A365-F377 HydrophobicContact CB-CZ 4.09Å; A365-I405 HydrophobicContact CB-CB 4.31Å; A365-I405 HydrophobicContact CB-CD1 3.91Å; A365-Q406 WeakPolarHBondContact CA-O 3.43Å
366	R	97.3	Very high	95.3	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.4	165.8	-70.2	174.8	-178.7	-175.9	-4.6	109.8	Y371 E372 V373 Q406 Y408	R366-Y371 HydrophobicContact CB-CD1 4.41Å; R366-Y371 WeakPolarHBondContact CB-O 3.22Å; R366-Y371 WeakPolarHBondContact CD-O 3.2Å; R366-Y371 VanDerWaalsContact CG-O 3.29Å; R366-Y371 WeakPolarHBondContact CG-O 3.38Å; R366-E372 VanDerWaalsContact CA-O 3.28Å; R366-E372 WeakPolarHBondContact CA-O 3.34Å; R366-V373 HydrophobicContact CG-CG2 3.82Å; R366-Q406 HydrophobicContact CB-CB 4.16Å; R366-Q406 PolarHBondContact N-O 3.29Å; R366-Q406 PolarHBondContact O-N 2.92Å; R366-Y408 HydrophobicContact CG-CD1 4.24Å; R366-Y408 HydrophobicContact CG-CG 4.04Å; R366-Y408 PolarHBondContact NH2-OH 3.44Å
367	I	95	Very high	95.5	Very high	43 Å²	43	42.9 Å²	42.9	22%	0.221	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.9	-171.9	62.3	173.3	0	0	0	112.5	Y371 E372 F377 I405	I367-Y371 WeakPolarHBondContact O-CA 3.32Å; I367-Y371 PolarHBondContact O-N 3.39Å; I367-E372 PolarHBondContact N-O 2.92Å; I367-E372 VanDerWaalsContact N-O 3.08Å; I367-F377 HydrophobicContact CD1-CB 3.95Å; I367-F377 HydrophobicContact CD1-CG 4.43Å; I367-F377 HydrophobicContact CG2-CB 4.35Å; I367-F377 HydrophobicContact CG2-CD1 3.72Å; I367-F377 HydrophobicContact CG2-CD2 3.79Å; I367-F377 HydrophobicContact CG2-CE1 3.85Å; I367-F377 HydrophobicContact CG2-CE2 3.93Å; I367-F377 HydrophobicContact CG2-CG 3.69Å; I367-F377 HydrophobicContact CG2-CZ 3.96Å; I367-I405 HydrophobicContact CG2-CG2 4.2Å
368	P	91.4	Very high	95.7	Very high	42 Å²	42	39.3 Å²	39.3	27%	0.273	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	158.8	174	28.5	-35.1	0	0	0	111.2	Y371 F381 K404	P368-Y371 HydrophobicContact CB-CE1 4.49Å; P368-F381 HydrophobicContact CG-CD1 4.5Å; P368-F381 HydrophobicContact CG-CE1 4.03Å; P368-K404 WeakPolarHBondContact CD-O 3.4Å
369	P	91.2	Very high	95.7	Very high	112 Å²	112	39.3 Å²	39.3	73%	0.727	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84	-23	2.9	32	-34.5	0	0	0	114.1	Y371	P369-Y371 WeakPolarHBondContact O-CD2 3.39Å
370	N	92	Very high	95.7	Very high	119 Å²	119	41.2 Å²	41.2	64%	0.636	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.5	-171.5	-63.1	-14.4	0	0	0	113.6	E372	N370-E372 VanDerWaalsContact C-N 3.28Å; N370-E372 HydrophobicContact CB-CG 4.12Å; N370-E372 PolarHBondContact O-N 2.92Å
371	Y	93.3	Very high	95.5	Very high	99 Å²	99	44.5 Å²	44.5	39%	0.388	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	41.4	-175.7	-63.6	-85.3	0	0	0	112.7	R366 I367 P368 P369 Q406	R366-Y371 HydrophobicContact CB-CD1 4.41Å; R366-Y371 WeakPolarHBondContact CB-O 3.22Å; R366-Y371 WeakPolarHBondContact CD-O 3.2Å; R366-Y371 VanDerWaalsContact CG-O 3.29Å; R366-Y371 WeakPolarHBondContact CG-O 3.38Å; I367-Y371 WeakPolarHBondContact O-CA 3.32Å; I367-Y371 PolarHBondContact O-N 3.39Å; P368-Y371 HydrophobicContact CB-CE1 4.49Å; P369-Y371 WeakPolarHBondContact O-CD2 3.39Å; Y371-Q406 VanDerWaalsContact CD1-CD 3.49Å; Y371-Q406 HydrophobicContact CD1-CG 3.77Å; Y371-Q406 HydrophobicContact CE1-CG 3.86Å
372	E	93.5	Very high	95.3	Very high	131 Å²	131	47.6 Å²	47.6	61%	0.612	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78	144.7	169.4	-69.9	179.3	-168.4	0	0	110.2	R366 I367 N370 S374	R366-E372 VanDerWaalsContact CA-O 3.28Å; R366-E372 WeakPolarHBondContact CA-O 3.34Å; I367-E372 PolarHBondContact N-O 2.92Å; I367-E372 VanDerWaalsContact N-O 3.08Å; N370-E372 VanDerWaalsContact C-N 3.28Å; N370-E372 HydrophobicContact CB-CG 4.12Å; N370-E372 PolarHBondContact O-N 2.92Å; E372-S374 PolarHBondContact O-N 2.78Å
373	V	96	Very high	94.9	Very high	61 Å²	61	52.8 Å²	52.8	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.8	178.3	-175.2	0	0	0	0	108.7	A365 R366 Y408	A365-V373 WeakPolarHBondContact O-CA 3.41Å; R366-V373 HydrophobicContact CG-CG2 3.82Å; V373-Y408 HydrophobicContact CB-CD1 4.28Å; V373-Y408 HydrophobicContact CG1-CD1 3.94Å; V373-Y408 HydrophobicContact CG2-CD1 3.34Å; V373-Y408 HydrophobicContact CG2-CE1 3.46Å; V373-Y408 VanDerWaalsContact CG2-CE1 3.46Å; V373-Y408 HydrophobicContact CG2-CG 4.4Å
374	S	96.1	Very high	94.6	Very high	21 Å²	21	61.1 Å²	61.1	15%	0.147	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.6	173.5	-178.3	0	0	0	0	110.8	G364 A365 E372 D376	G364-S374 PolarHBondContact N-O 3.35Å; A365-S374 PolarHBondContact N-O 2.97Å; A365-S374 PolarHBondContact O-N 2.81Å; E372-S374 PolarHBondContact O-N 2.78Å; S374-D376 PolarHBondContact OG-N 3.1Å; S374-D376 VanDerWaalsContact OG-N 3.15Å; S374-D376 PolarHBondContact OG-O 3.35Å; S374-D376 VanDerWaalsContact OG-O 3.1Å
375	H	95.9	Very high	94.5	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.157	33%	0.331	C	S	.	.	S	Bend	trans	-112.9	11.5	172.2	-61.2	-71.2	0	0	0	111.9	F363 P410 N412 P415 I416	F363-H375 HydrophobicContact CB-CB 4.35Å; F363-H375 VanDerWaalsContact CB-O 3.28Å; F363-H375 WeakPolarHBondContact CB-O 3.23Å; H375-P410 PolarHBondContact CE1-O 3.3Å; H375-P410 PolarHBondContact ND1-O 3.08Å; H375-N412 HydrophobicContact CB-CB 4.41Å; H375-P415 HydrophobicContact CB-CB 4.3Å; H375-P415 HydrophobicContact CB-CG 3.92Å; H375-I416 WeakPolarHBondContact O-CG1 2.97Å
376	D	95.1	Very high	94.4	Very high	49 Å²	49	64.7 Å²	64.7	26%	0.262	34%	0.337	S	S	.	.	S	Bend	trans	-164.7	93.3	179.9	179.7	7.5	0	0	0	108.3	S374 P415 I416 R419	S374-D376 PolarHBondContact OG-N 3.1Å; S374-D376 VanDerWaalsContact OG-N 3.15Å; S374-D376 PolarHBondContact OG-O 3.35Å; S374-D376 VanDerWaalsContact OG-O 3.1Å; D376-P415 HydrophobicContact CB-CB 4.41Å; D376-I416 HydrophobicContact CB-CG1 4.24Å; D376-R419 WeakPolarHBondContact OD1-CD 3.01Å; D376-R419 IonicContact OD1-CZ 3.88Å; D376-R419 IonicContact OD1-NE 3.82Å; D376-R419 IonicContact OD1-NH1 3.88Å; D376-R419 PolarHBondContact OD1-NH1 3.45Å; D376-R419 WeakPolarHBondContact OD2-CD 3.47Å; D376-R419 IonicContact OD2-NH1 3.41Å
377	F	96.8	Very high	94.4	Very high	12 Å²	12	63.7 Å²	63.7	5%	0.053	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.1	176.8	66	-88.3	0	0	0	111.8	F314 L361 G362 A365 I367 I379 I405	F314-F377 HydrophobicContact CD2-CE1 4.47Å; F314-F377 AromaticContact CD2-CZ 3.75Å; F314-F377 HydrophobicContact CD2-CZ 3.75Å; F314-F377 HydrophobicContact CE2-CZ 4.13Å; F314-F377 HydrophobicContact CG-CZ 4.5Å; L361-F377 CarbonylContact C-O 3.53Å; L361-F377 VanDerWaalsContact CA-O 3.29Å; L361-F377 WeakPolarHBondContact CA-O 3.4Å; G362-F377 PolarHBondContact N-O 3.47Å; G362-F377 WeakPolarHBondContact O-CD1 3.18Å; G362-F377 WeakPolarHBondContact O-CE1 3.39Å; G362-F377 PolarHBondContact O-N 3.18Å; A365-F377 HydrophobicContact CB-CE1 4Å; A365-F377 HydrophobicContact CB-CZ 4.09Å; I367-F377 HydrophobicContact CD1-CB 3.95Å; I367-F377 HydrophobicContact CD1-CG 4.43Å; I367-F377 HydrophobicContact CG2-CB 4.35Å; I367-F377 HydrophobicContact CG2-CD1 3.72Å; I367-F377 HydrophobicContact CG2-CD2 3.79Å; I367-F377 HydrophobicContact CG2-CE1 3.85Å; I367-F377 HydrophobicContact CG2-CE2 3.93Å; I367-F377 HydrophobicContact CG2-CG 3.69Å; I367-F377 HydrophobicContact CG2-CZ 3.96Å; F377-I379 HydrophobicContact CE2-CG2 4.22Å; F377-I379 PolarHBondContact O-N 3.39Å; F377-I405 HydrophobicContact CE2-CG2 4.36Å; F377-I405 HydrophobicContact CZ-CD1 4.36Å
378	A	97.3	Very high	94.4	Very high	11 Å²	11	62.2 Å²	62.2	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	123	174.5	0	0	0	0	0	110.5	N380 F381 N382 D386	A378-N380 WeakPolarHBondContact CB-OD1 3.38Å; A378-N380 PolarHBondContact O-N 2.86Å; A378-F381 PolarHBondContact O-N 3.34Å; A378-N382 WeakPolarHBondContact CB-O 3.45Å; A378-D386 HydrophobicContact CB-CB 3.6Å
379	I	97.3	Very high	94.6	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.8	-175.6	71.8	178.3	0	0	0	112.5	I312 F314 A360 F377 F381 A397 C401	I312-I379 HydrophobicContact CD1-CD1 4.04Å; F314-I379 HydrophobicContact CE2-CG2 3.86Å; F314-I379 HydrophobicContact CZ-CG2 4.38Å; A360-I379 HydrophobicContact CB-CD1 3.6Å; A360-I379 HydrophobicContact CB-CG1 3.65Å; A360-I379 PolarHBondContact O-N 3.17Å; F377-I379 HydrophobicContact CE2-CG2 4.22Å; F377-I379 PolarHBondContact O-N 3.39Å; I379-F381 PolarHBondContact O-N 3.13Å; I379-A397 HydrophobicContact CD1-CB 4.07Å; I379-A397 HydrophobicContact CG1-CB 3.85Å; I379-C401 HydrophobicContact CB-CB 4.06Å; I379-C401 WeakPolarHBondContact O-CB 3.31Å
380	N	95.9	Very high	94.8	Very high	50 Å²	50	63.5 Å²	63.5	27%	0.267	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-2.8	171	69.4	2.4	0	0	0	113	A378 N382 D385 A397	A378-N380 WeakPolarHBondContact CB-OD1 3.38Å; A378-N380 PolarHBondContact O-N 2.86Å; N380-N382 PolarHBondContact O-N 3.07Å; N380-N382 PolarHBondContact OD1-N 3.08Å; N380-D385 PolarHBondContact ND2-O 3.29Å; N380-A397 HydrophobicContact CB-CB 4.33Å
381	F	94.6	Very high	94.9	Very high	69 Å²	69	58.6 Å²	58.6	30%	0.303	30%	0.299	S	S	.	.	S	Bend	trans	57.4	24.1	-173.9	-56.3	-76.5	0	0	0	115.4	P368 A378 I379 P383 C401 K404 I405	P368-F381 HydrophobicContact CG-CD1 4.5Å; P368-F381 HydrophobicContact CG-CE1 4.03Å; A378-F381 PolarHBondContact O-N 3.34Å; I379-F381 PolarHBondContact O-N 3.13Å; F381-P383 WeakPolarHBondContact O-CD 3.39Å; F381-C401 HydrophobicContact CE2-CB 4.23Å; F381-C401 HydrophobicContact CZ-CB 4.37Å; F381-K404 HydrophobicContact CD2-CD 4.28Å; F381-K404 HydrophobicContact CE2-CB 4.09Å; F381-K404 HydrophobicContact CE2-CD 3.63Å; F381-K404 HydrophobicContact CE2-CG 4.46Å; F381-K404 HydrophobicContact CZ-CB 3.82Å; F381-K404 HydrophobicContact CZ-CD 4.22Å; F381-I405 HydrophobicContact CE1-CG2 3.95Å; F381-I405 HydrophobicContact CZ-CG2 3.81Å
382	N	94.1	Very high	95.1	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	31%	0.305	S	S	.	.			trans	-108.3	98.6	170	-175	4.8	0	0	0	109.3	A378 N380 E384 D385	A378-N382 WeakPolarHBondContact CB-O 3.45Å; N380-N382 PolarHBondContact O-N 3.07Å; N380-N382 PolarHBondContact OD1-N 3.08Å; N382-E384 PolarHBondContact O-N 3.16Å; N382-E384 PolarHBondContact OD1-N 3.16Å; N382-D385 WeakPolarHBondContact CB-O 3.25Å; N382-D385 CarbonylContact O-C 3.29Å; N382-D385 VanDerWaalsContact O-C 3.29Å; N382-D385 PolarHBondContact O-N 3.47Å; N382-D385 VanDerWaalsContact O-O 3.09Å
383	P	87.4	Confident	95.2	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.6	-177.3	28.8	-35.1	0	0	0	113.5	F381	F381-P383 WeakPolarHBondContact O-CD 3.39Å
384	E	93	Very high	95.3	Very high	176 Å²	176	50.6 Å²	50.6	82%	0.822	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.1	178.9	-57.7	-60.8	135.8	0	0	112.7	N382	N382-E384 PolarHBondContact O-N 3.16Å; N382-E384 PolarHBondContact OD1-N 3.16Å
385	D	94.5	Very high	95.3	Very high	48 Å²	48	50 Å²	50	26%	0.257	26%	0.26	S	S	.	.			trans	-153	99.3	-179.2	177.8	10	0	0	0	109.1	R357 N380 N382 E387	R357-D385 IonicContact CZ-OD1 3.75Å; R357-D385 IonicContact CZ-OD2 2.97Å; R357-D385 IonicContact NH1-OD1 3.22Å; R357-D385 IonicContact NH1-OD2 3.1Å; R357-D385 IonicContact NH2-OD1 2.95Å; R357-D385 PolarHBondContact NH2-OD1 3.39Å; R357-D385 IonicContact NH2-OD2 2.73Å; R357-D385 PolarHBondContact NH2-OD2 2.98Å; N380-D385 PolarHBondContact ND2-O 3.29Å; N382-D385 WeakPolarHBondContact CB-O 3.25Å; N382-D385 CarbonylContact O-C 3.29Å; N382-D385 VanDerWaalsContact O-C 3.29Å; N382-D385 PolarHBondContact O-N 3.47Å; N382-D385 VanDerWaalsContact O-O 3.09Å; D385-E387 VanDerWaalsContact C-N 3.26Å; D385-E387 PolarHBondContact O-N 3.4Å; D385-E387 WeakPolarHBondContact OD1-CB 3.34Å; D385-E387 PolarHBondContact OD1-N 2.85Å; D385-E387 VanDerWaalsContact OD1-N 3.07Å
386	D	95.4	Very high	95.4	Very high	26 Å²	26	52.8 Å²	52.8	14%	0.139	27%	0.274	C	S	.	.			trans	-85.7	4.8	-179.3	60.6	-28	0	0	0	113.3	S359 A360 L361 A378 R419	S359-D386 WeakPolarHBondContact CA-O 3.23Å; S359-D386 WeakPolarHBondContact CB-OD2 3.39Å; S359-D386 VanDerWaalsContact OG-CG 3.28Å; S359-D386 PolarHBondContact OG-OD2 2.87Å; A360-D386 PolarHBondContact N-O 3.05Å; L361-D386 HydrophobicContact CD2-CB 4.03Å; L361-D386 WeakPolarHBondContact CD2-OD2 3.5Å; A378-D386 HydrophobicContact CB-CB 3.6Å; D386-R419 VanDerWaalsContact CG-NH2 3.31Å; D386-R419 IonicContact OD1-NH2 3.23Å; D386-R419 IonicContact OD2-CZ 3.89Å; D386-R419 IonicContact OD2-NH1 3.29Å; D386-R419 IonicContact OD2-NH2 2.71Å; D386-R419 PolarHBondContact OD2-NH2 3.43Å
387	E	96.3	Very high	95.5	Very high	60 Å²	60	51 Å²	51	28%	0.28	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.3	-176.2	-57.3	-178.4	150.6	0	0	113	R357 F358 D385	R357-E387 HydrophobicContact CB-CB 4.05Å; R357-E387 HydrophobicContact CB-CG 4.48Å; R357-E387 IonicContact CZ-OE2 3.24Å; R357-E387 IonicContact NE-OE2 3.58Å; R357-E387 PolarHBondContact NE-OE2 2.72Å; R357-E387 IonicContact NH1-OE2 3.62Å; R357-E387 PolarHBondContact NH1-OE2 3.01Å; R357-E387 IonicContact NH2-OE2 2.68Å; F358-E387 CarbonylContact O-C 3.58Å; F358-E387 VanDerWaalsContact O-CA 3.32Å; F358-E387 WeakPolarHBondContact O-CA 3.15Å; D385-E387 VanDerWaalsContact C-N 3.26Å; D385-E387 PolarHBondContact O-N 3.4Å; D385-E387 WeakPolarHBondContact OD1-CB 3.34Å; D385-E387 PolarHBondContact OD1-N 2.85Å; D385-E387 VanDerWaalsContact OD1-N 3.07Å
388	C	96.4	Very high	95.6	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.6	174.5	-59.3	0	0	0	0	110.9	R357 F358 G390 V394	R357-C388 WeakPolarHBondContact CA-O 3.33Å; F358-C388 PolarHBondContact N-O 2.86Å; F358-C388 PolarHBondContact O-N 2.83Å; C388-G390 PolarHBondContact O-N 3.08Å; C388-V394 HydrophobicContact CB-CB 4.5Å; C388-V394 HydrophobicContact CB-CG2 3.78Å
389	E	95.3	Very high	95.5	Very high	170 Å²	170	53.5 Å²	53.5	79%	0.794	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	106	177.5	-171	179.1	173.7	0	0	111.1	G393	E389-G393 VanDerWaalsContact O-CA 3.32Å; E389-G393 WeakPolarHBondContact O-CA 3.22Å; E389-G393 PolarHBondContact O-N 3.34Å
390	G	94.9	Very high	95.4	Very high	12 Å²	12	58 Å²	58	12%	0.124	30%	0.299	C	S	.	.	H	α-helix	trans	64.3	178.5	-179.7	0	0	0	0	0	114	K356 F358 C388 Q392 G393 V394	K356-G390 WeakPolarHBondContact O-CA 3.45Å; K356-G390 PolarHBondContact O-N 2.96Å; F358-G390 VanDerWaalsContact CD2-C 3.48Å; C388-G390 PolarHBondContact O-N 3.08Å; G390-Q392 PolarHBondContact O-N 2.53Å; G390-G393 PolarHBondContact O-N 3.17Å; G390-V394 PolarHBondContact O-N 2.86Å
391	I	94.8	Very high	95.5	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.077	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-30.5	178.3	-171.2	53.3	0	0	0	111.6	L342 E347 V394 V395	L342-I391 HydrophobicContact CB-CD1 4.39Å; L342-I391 WeakPolarHBondContact O-CD1 3.28Å; E347-I391 HydrophobicContact CG-CG2 4.38Å; I391-V394 HydrophobicContact CD1-CB 4.26Å; I391-V394 PolarHBondContact O-N 2.81Å; I391-V395 WeakPolarHBondContact O-CG2 3.02Å; I391-V395 PolarHBondContact O-N 2.77Å
392	Q	95.6	Very high	95.5	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-41	176.1	-174.7	57.2	31.8	0	0	111.7	G390 V394 V395 E396	G390-Q392 PolarHBondContact O-N 2.53Å; Q392-V394 VanDerWaalsContact C-N 3.33Å; Q392-V394 PolarHBondContact O-N 2.86Å; Q392-V395 PolarHBondContact O-N 2.95Å; Q392-E396 PolarHBondContact NE2-OE1 3.31Å; Q392-E396 VanDerWaalsContact NE2-OE1 3.08Å; Q392-E396 WeakPolarHBondContact O-CG 3.34Å; Q392-E396 PolarHBondContact O-N 2.65Å
393	G	97	Very high	95.5	Very high	14 Å²	14	54.7 Å²	54.7	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-39.3	173.8	0	0	0	0	0	112.5	E389 G390 E396 A397	E389-G393 VanDerWaalsContact O-CA 3.32Å; E389-G393 WeakPolarHBondContact O-CA 3.22Å; E389-G393 PolarHBondContact O-N 3.34Å; G390-G393 PolarHBondContact O-N 3.17Å; G393-E396 PolarHBondContact O-N 3.43Å; G393-A397 WeakPolarHBondContact O-CB 3.47Å; G393-A397 PolarHBondContact O-N 2.89Å
394	V	97.5	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-43.9	174.8	178.7	0	0	0	0	111.1	V310 F358 A360 C388 G390 I391 Q392 E396 A397 Y398	V310-V394 HydrophobicContact CG2-CG1 4.49Å; F358-V394 HydrophobicContact CB-CG2 3.87Å; F358-V394 HydrophobicContact CD2-CG2 4.26Å; A360-V394 HydrophobicContact CB-CG1 4.06Å; A360-V394 HydrophobicContact CB-CG2 4.25Å; C388-V394 HydrophobicContact CB-CB 4.5Å; C388-V394 HydrophobicContact CB-CG2 3.78Å; G390-V394 PolarHBondContact O-N 2.86Å; I391-V394 HydrophobicContact CD1-CB 4.26Å; I391-V394 PolarHBondContact O-N 2.81Å; Q392-V394 VanDerWaalsContact C-N 3.33Å; Q392-V394 PolarHBondContact O-N 2.86Å; V394-E396 PolarHBondContact O-N 2.95Å; V394-A397 PolarHBondContact O-N 3.02Å; V394-Y398 WeakPolarHBondContact O-CB 3.11Å; V394-Y398 PolarHBondContact O-N 2.88Å
395	V	96.9	Very high	96.1	Very high	8 Å²	8	47 Å²	47	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-45.8	176.8	166.3	0	0	0	0	111.1	L339 I343 I391 Q392 Y398 Q399	L339-V395 HydrophobicContact CD2-CB 4.37Å; L339-V395 HydrophobicContact CD2-CG1 3.78Å; L339-V395 HydrophobicContact CD2-CG2 4.1Å; I343-V395 HydrophobicContact CD1-CG2 4.44Å; I343-V395 HydrophobicContact CG1-CG2 4.02Å; I391-V395 WeakPolarHBondContact O-CG2 3.02Å; I391-V395 PolarHBondContact O-N 2.77Å; Q392-V395 PolarHBondContact O-N 2.95Å; V395-Y398 PolarHBondContact O-N 3.41Å; V395-Q399 WeakPolarHBondContact O-CG 3.35Å; V395-Q399 PolarHBondContact O-N 3.19Å
396	E	96.9	Very high	96.2	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-43.2	177.2	-72.9	172.4	-161.5	0	0	111.6	Q392 G393 V394 Q399 N400	Q392-E396 PolarHBondContact NE2-OE1 3.31Å; Q392-E396 VanDerWaalsContact NE2-OE1 3.08Å; Q392-E396 WeakPolarHBondContact O-CG 3.34Å; Q392-E396 PolarHBondContact O-N 2.65Å; G393-E396 PolarHBondContact O-N 3.43Å; V394-E396 PolarHBondContact O-N 2.95Å; E396-Q399 PolarHBondContact O-N 2.79Å; E396-N400 VanDerWaalsContact O-CB 3.27Å; E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 PolarHBondContact O-N 3.42Å; E396-N400 PolarHBondContact O-ND2 2.77Å
397	A	97.7	Very high	96.2	Very high	10 Å²	10	49.1 Å²	49.1	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-44	177	0	0	0	0	0	111.5	I379 N380 G393 V394 N400 C401	I379-A397 HydrophobicContact CD1-CB 4.07Å; I379-A397 HydrophobicContact CG1-CB 3.85Å; N380-A397 HydrophobicContact CB-CB 4.33Å; G393-A397 WeakPolarHBondContact O-CB 3.47Å; G393-A397 PolarHBondContact O-N 2.89Å; V394-A397 PolarHBondContact O-N 3.02Å; A397-N400 PolarHBondContact O-N 2.85Å; A397-C401 WeakPolarHBondContact O-CB 3.4Å; A397-C401 PolarHBondContact O-N 3.35Å
398	Y	97.9	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-50.4	174.3	166.6	-105.4	0	0	0	112.3	I312 F314 H328 I330 L339 V394 V395 N400 C401 L402	I312-Y398 HydrophobicContact CD1-CD2 3.57Å; I312-Y398 HydrophobicContact CD1-CE2 4.34Å; I312-Y398 HydrophobicContact CD1-CG 4.1Å; I312-Y398 HydrophobicContact CG2-CD2 4.11Å; I312-Y398 HydrophobicContact CG2-CE2 3.93Å; F314-Y398 AromaticContact CE1-CD2 3.94Å; F314-Y398 HydrophobicContact CE1-CD2 3.94Å; F314-Y398 AromaticContact CE1-CE2 3.79Å; F314-Y398 HydrophobicContact CE1-CE2 3.79Å; F314-Y398 AromaticContact CZ-CD2 3.74Å; F314-Y398 HydrophobicContact CZ-CD2 3.74Å; F314-Y398 HydrophobicContact CZ-CE2 4.03Å; H328-Y398 AromaticContact ND1-CE2 3.74Å; H328-Y398 AromaticContact ND1-CZ 3.72Å; H328-Y398 PolarHBondContact ND1-OH 2.81Å; I330-Y398 HydrophobicContact CD1-CE1 3.82Å; L339-Y398 HydrophobicContact CD1-CE1 4.32Å; L339-Y398 HydrophobicContact CD2-CD1 3.66Å; L339-Y398 HydrophobicContact CD2-CE1 3.86Å; L339-Y398 HydrophobicContact CG-CD1 4.14Å; L339-Y398 HydrophobicContact CG-CE1 3.79Å; V394-Y398 WeakPolarHBondContact O-CB 3.11Å; V394-Y398 PolarHBondContact O-N 2.88Å; V395-Y398 PolarHBondContact O-N 3.41Å; Y398-N400 VanDerWaalsContact C-N 3.29Å; Y398-N400 PolarHBondContact O-N 2.96Å; Y398-C401 PolarHBondContact O-N 2.69Å; Y398-L402 PolarHBondContact O-N 2.92Å; Y398-L402 VanDerWaalsContact O-N 3.16Å
399	Q	96	Very high	96.1	Very high	77 Å²	77	51.5 Å²	51.5	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-36.8	179	-71.6	175	-14.5	0	0	112.3	I330 V395 E396 P403	I330-Q399 HydrophobicContact CD1-CG 4.27Å; V395-Q399 WeakPolarHBondContact O-CG 3.35Å; V395-Q399 PolarHBondContact O-N 3.19Å; E396-Q399 PolarHBondContact O-N 2.79Å; Q399-P403 WeakPolarHBondContact O-CD 3.39Å
400	N	96.1	Very high	96	Very high	95 Å²	95	46.1 Å²	46.1	51%	0.508	24%	0.243	S	C	.	.	H	α-helix	trans	-77.3	-24.7	177.7	-73.6	-38.3	0	0	0	113.7	E396 A397 Y398 K404	E396-N400 VanDerWaalsContact O-CB 3.27Å; E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 PolarHBondContact O-N 3.42Å; E396-N400 PolarHBondContact O-ND2 2.77Å; A397-N400 PolarHBondContact O-N 2.85Å; Y398-N400 VanDerWaalsContact C-N 3.29Å; Y398-N400 PolarHBondContact O-N 2.96Å; N400-K404 WeakPolarHBondContact O-CD 3.28Å; N400-K404 VanDerWaalsContact O-CE 3.26Å; N400-K404 WeakPolarHBondContact O-CE 3.15Å
401	C	96.5	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.3	-50.3	179.7	-172.6	0	0	0	0	112	F314 I379 F381 A397 Y398 P403 K404 I405	F314-C401 HydrophobicContact CZ-CB 4.48Å; I379-C401 HydrophobicContact CB-CB 4.06Å; I379-C401 WeakPolarHBondContact O-CB 3.31Å; F381-C401 HydrophobicContact CE2-CB 4.23Å; F381-C401 HydrophobicContact CZ-CB 4.37Å; A397-C401 WeakPolarHBondContact O-CB 3.4Å; A397-C401 PolarHBondContact O-N 3.35Å; Y398-C401 PolarHBondContact O-N 2.69Å; C401-P403 VanDerWaalsContact C-CD 3.49Å; C401-K404 PolarHBondContact O-N 2.82Å; C401-I405 PolarHBondContact O-N 2.72Å
402	L	95.1	Very high	96	Very high	11 Å²	11	47 Å²	47	6%	0.058	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-50.1	-44.4	-171.4	-170.2	66.3	0	0	0	115.5	F314 P321 H328 I330 Y398 K404 L407	F314-L402 HydrophobicContact CD1-CD1 3.91Å; F314-L402 HydrophobicContact CE1-CD1 3.8Å; P321-L402 HydrophobicContact CB-CD1 4.12Å; P321-L402 HydrophobicContact CB-CD2 3.86Å; P321-L402 HydrophobicContact CB-CG 3.85Å; P321-L402 HydrophobicContact CG-CD1 3.64Å; P321-L402 HydrophobicContact CG-CD2 4.33Å; P321-L402 HydrophobicContact CG-CG 3.88Å; H328-L402 HydrophobicContact CB-CD1 3.75Å; H328-L402 HydrophobicContact CB-CD2 3.9Å; H328-L402 HydrophobicContact CB-CG 4.44Å; H328-L402 VanDerWaalsContact O-CD2 3.31Å; H328-L402 WeakPolarHBondContact O-CD2 2.89Å; I330-L402 HydrophobicContact CD1-CD2 3.99Å; I330-L402 HydrophobicContact CG1-CD2 3.85Å; Y398-L402 PolarHBondContact O-N 2.92Å; Y398-L402 VanDerWaalsContact O-N 3.16Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.63Å; L402-L407 HydrophobicContact CD1-CD2 4.36Å
403	P	94.6	Very high	96	Very high	104 Å²	104	41.8 Å²	41.8	68%	0.675	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-75.5	-9.4	179.4	29.7	-36	0	0	0	114.6	Q399 C401	Q399-P403 WeakPolarHBondContact O-CD 3.39Å; C401-P403 VanDerWaalsContact C-CD 3.49Å
404	K	95.4	Very high	96	Very high	108 Å²	108	41.3 Å²	41.3	47%	0.47	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-101.7	-15.9	-174.2	-61.3	176.8	-169.5	163.9	0	113.5	P368 F381 N400 C401 L402	P368-K404 WeakPolarHBondContact CD-O 3.4Å; F381-K404 HydrophobicContact CD2-CD 4.28Å; F381-K404 HydrophobicContact CE2-CB 4.09Å; F381-K404 HydrophobicContact CE2-CD 3.63Å; F381-K404 HydrophobicContact CE2-CG 4.46Å; F381-K404 HydrophobicContact CZ-CB 3.82Å; F381-K404 HydrophobicContact CZ-CD 4.22Å; N400-K404 WeakPolarHBondContact O-CD 3.28Å; N400-K404 VanDerWaalsContact O-CE 3.26Å; N400-K404 WeakPolarHBondContact O-CE 3.15Å; C401-K404 PolarHBondContact O-N 2.82Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.63Å
405	I	96.3	Very high	96	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.082	23%	0.231	C	C	.	.	S	Bend	trans	-101.3	166.4	179.7	63	174.5	0	0	0	111.2	F314 A365 I367 F377 F381 C401 L407	F314-I405 HydrophobicContact CB-CD1 3.68Å; F314-I405 HydrophobicContact CD1-CD1 3.33Å; F314-I405 HydrophobicContact CD2-CD1 4.07Å; F314-I405 HydrophobicContact CE1-CD1 3.81Å; F314-I405 HydrophobicContact CE2-CD1 4.49Å; F314-I405 HydrophobicContact CG-CD1 3.44Å; F314-I405 VanDerWaalsContact CG-CD1 3.44Å; F314-I405 HydrophobicContact CZ-CD1 4.35Å; A365-I405 HydrophobicContact CB-CB 4.31Å; A365-I405 HydrophobicContact CB-CD1 3.91Å; I367-I405 HydrophobicContact CG2-CG2 4.2Å; F377-I405 HydrophobicContact CE2-CG2 4.36Å; F377-I405 HydrophobicContact CZ-CD1 4.36Å; F381-I405 HydrophobicContact CE1-CG2 3.95Å; F381-I405 HydrophobicContact CZ-CG2 3.81Å; C401-I405 PolarHBondContact O-N 2.72Å; I405-L407 HydrophobicContact CD1-CD2 4.27Å
406	Q	97.1	Very high	96	Very high	87 Å²	87	43.2 Å²	43.2	41%	0.407	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.7	166.8	-59.9	170.1	1.2	0	0	109	A365 R366 Y371 Y408	A365-Q406 WeakPolarHBondContact CA-O 3.43Å; R366-Q406 HydrophobicContact CB-CB 4.16Å; R366-Q406 PolarHBondContact N-O 3.29Å; R366-Q406 PolarHBondContact O-N 2.92Å; Y371-Q406 VanDerWaalsContact CD1-CD 3.49Å; Y371-Q406 HydrophobicContact CD1-CG 3.77Å; Y371-Q406 HydrophobicContact CE1-CG 3.86Å; Q406-Y408 PolarHBondContact O-N 3.01Å
407	L	96.9	Very high	96.1	Very high	31 Å²	31	38.8 Å²	38.8	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	133.3	175.8	-52.6	-175.6	0	0	0	110.1	F314 A316 N318 G319 P321 L402 I405	F314-L407 HydrophobicContact CB-CD2 3.85Å; F314-L407 HydrophobicContact CD1-CD2 4.1Å; F314-L407 HydrophobicContact CG-CD2 4.49Å; F314-L407 WeakPolarHBondContact O-CA 3.42Å; F314-L407 WeakPolarHBondContact O-CB 3.31Å; F314-L407 WeakPolarHBondContact O-CD2 3.26Å; A316-L407 HydrophobicContact CB-CB 4.36Å; N318-L407 HydrophobicContact CB-CD1 4.35Å; G319-L407 WeakPolarHBondContact O-CD1 3.39Å; P321-L407 HydrophobicContact CG-CD1 3.88Å; P321-L407 HydrophobicContact CG-CG 4.33Å; L402-L407 HydrophobicContact CD1-CD2 4.36Å; I405-L407 HydrophobicContact CD1-CD2 4.27Å
408	Y	96.1	Very high	96.1	Very high	102 Å²	102	41.4 Å²	41.4	40%	0.4	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-145.6	-142.1	-173.8	-162.5	-113.7	0	0	0	112.1	F314 T315 A316 G364 R366 V373 Q406	F314-Y408 PolarHBondContact O-N 3.24Å; T315-Y408 CarbonylContact C-O 3.58Å; T315-Y408 WeakPolarHBondContact CA-O 3.39Å; T315-Y408 VanDerWaalsContact CB-O 3.29Å; T315-Y408 WeakPolarHBondContact CB-O 3.13Å; A316-Y408 PolarHBondContact N-O 3.27Å; G364-Y408 CarbonylContact O-C 3.5Å; G364-Y408 WeakPolarHBondContact O-CA 3.19Å; G364-Y408 PolarHBondContact O-N 3.38Å; R366-Y408 HydrophobicContact CG-CD1 4.24Å; R366-Y408 HydrophobicContact CG-CG 4.04Å; R366-Y408 PolarHBondContact NH2-OH 3.44Å; V373-Y408 HydrophobicContact CB-CD1 4.28Å; V373-Y408 HydrophobicContact CG1-CD1 3.94Å; V373-Y408 HydrophobicContact CG2-CD1 3.34Å; V373-Y408 HydrophobicContact CG2-CE1 3.46Å; V373-Y408 VanDerWaalsContact CG2-CE1 3.46Å; V373-Y408 HydrophobicContact CG2-CG 4.4Å; Q406-Y408 PolarHBondContact O-N 3.01Å
409	G	92.9	Very high	96	Very high	19 Å²	19	45 Å²	45	20%	0.196	23%	0.234	C	C	.	.			trans	-174.7	179.5	177.6	0	0	0	0	0	111.1	G364	G364-G409 PolarHBondContact O-N 3.16Å
410	P	94.8	Very high	96	Very high	56 Å²	56	41.5 Å²	41.5	36%	0.364	22%	0.218	S	C	.	.			cis	-76.9	179.6	1.8	32.2	-38.2	0	0	0	114.9	H375 N412 T448	H375-P410 PolarHBondContact CE1-O 3.3Å; H375-P410 PolarHBondContact ND1-O 3.08Å; P410-N412 WeakPolarHBondContact CG-OD1 3.46Å; P410-N412 PolarHBondContact O-N 2.8Å; P410-T448 HydrophobicContact CB-CG2 3.8Å
411	T	93.9	Very high	96	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	20%	0.198	C	C	.	.			trans	-83.7	82.1	174.1	-47.9	0	0	0	0	109.5	F363 V447 T448	F363-T411 HydrophobicContact CE2-CG2 3.98Å; T411-V447 CarbonylContact O-C 3.53Å; T411-V447 WeakPolarHBondContact O-CA 3.48Å; T411-T448 PolarHBondContact N-OG1 3.06Å; T411-T448 PolarHBondContact O-N 2.91Å
412	N	95.1	Very high	96	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.171	23%	0.233	C	C	.	.			trans	-106.8	122	-179.5	-70.6	-1.5	0	0	0	111	H375 P410 D449	H375-N412 HydrophobicContact CB-CB 4.41Å; P410-N412 WeakPolarHBondContact CG-OD1 3.46Å; P410-N412 PolarHBondContact O-N 2.8Å; N412-D449 WeakPolarHBondContact CA-OD1 3.43Å; N412-D449 WeakPolarHBondContact CA-OD2 3.4Å; N412-D449 HydrophobicContact CB-CB 4.25Å; N412-D449 VanDerWaalsContact CB-OD2 3.28Å; N412-D449 WeakPolarHBondContact CB-OD2 3.39Å
413	V	95.6	Very high	95.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.253	C	S	.	.			trans	-112.2	-16.1	-177.7	-57.3	0	0	0	0	113.3	F363 P415 I416 I417 I441 V447 D449 T453	F363-V413 HydrophobicContact CD2-CG1 4.28Å; F363-V413 HydrophobicContact CE2-CG1 3.66Å; F363-V413 HydrophobicContact CZ-CG1 3.78Å; V413-P415 VanDerWaalsContact C-N 3.3Å; V413-I416 PolarHBondContact O-N 2.96Å; V413-I417 HydrophobicContact CG2-CD1 4.06Å; V413-I417 PolarHBondContact O-N 3.39Å; V413-I417 VanDerWaalsContact O-N 3.12Å; V413-I441 HydrophobicContact CB-CD1 4.39Å; V413-I441 HydrophobicContact CG1-CG2 4.16Å; V413-V447 HydrophobicContact CG1-CG2 4.06Å; V413-V447 HydrophobicContact CG2-CB 4.41Å; V413-V447 HydrophobicContact CG2-CG1 3.7Å; V413-V447 HydrophobicContact CG2-CG2 3.73Å; V413-D449 PolarHBondContact N-OD1 2.92Å; V413-D449 VanDerWaalsContact N-OD1 3.16Å; V413-D449 PolarHBondContact N-OD2 3.42Å; V413-T453 HydrophobicContact CG2-CG2 3.76Å; V413-T453 WeakPolarHBondContact CG2-OG1 3.46Å
414	A	96.9	Very high	95.8	Very high	4 Å²	4	44 Å²	44	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-37.3	178.1	0	0	0	0	0	113.5	I416 I417 N418 D449 D452 T453 A456	A414-I416 PolarHBondContact O-N 3.34Å; A414-I417 PolarHBondContact O-N 3.42Å; A414-N418 WeakPolarHBondContact O-CB 3.1Å; A414-N418 PolarHBondContact O-N 3.33Å; A414-N418 PolarHBondContact O-ND2 2.97Å; A414-D449 WeakPolarHBondContact CB-OD2 3.28Å; A414-D449 PolarHBondContact N-OD2 3.4Å; A414-D449 VanDerWaalsContact N-OD2 3.08Å; A414-D452 HydrophobicContact CB-CB 3.79Å; A414-T453 PolarHBondContact N-OG1 2.89Å; A414-A456 HydrophobicContact CB-CB 4.31Å
415	P	97.3	Very high	95.6	Very high	47 Å²	47	39.8 Å²	39.8	31%	0.305	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-46.9	176.6	-27.6	37.9	0	0	0	113.2	H375 D376 V413 N418 R419	H375-P415 HydrophobicContact CB-CB 4.3Å; H375-P415 HydrophobicContact CB-CG 3.92Å; D376-P415 HydrophobicContact CB-CB 4.41Å; V413-P415 VanDerWaalsContact C-N 3.3Å; P415-N418 PolarHBondContact O-N 2.87Å; P415-R419 PolarHBondContact O-N 3.42Å
416	I	97.3	Very high	95.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-46.4	178.9	-68.6	-173.5	0	0	0	110.9	A311 L361 F363 H375 D376 V413 A414 N418 R419 I420 L439	A311-I416 HydrophobicContact CB-CD1 3.6Å; A311-I416 HydrophobicContact CB-CG2 3.8Å; L361-I416 HydrophobicContact CB-CD1 4.24Å; L361-I416 HydrophobicContact CD1-CG2 4.41Å; F363-I416 HydrophobicContact CB-CD1 3.84Å; F363-I416 HydrophobicContact CD1-CD1 3.5Å; F363-I416 HydrophobicContact CE1-CD1 4.39Å; F363-I416 HydrophobicContact CG-CD1 4.01Å; H375-I416 WeakPolarHBondContact O-CG1 2.97Å; D376-I416 HydrophobicContact CB-CG1 4.24Å; V413-I416 PolarHBondContact O-N 2.96Å; A414-I416 PolarHBondContact O-N 3.34Å; I416-N418 VanDerWaalsContact C-N 3.28Å; I416-N418 PolarHBondContact O-N 3.45Å; I416-R419 PolarHBondContact O-N 3.36Å; I416-R419 VanDerWaalsContact O-N 3.14Å; I416-I420 HydrophobicContact CG2-CG1 4.35Å; I416-I420 WeakPolarHBondContact O-CG1 3.29Å; I416-I420 PolarHBondContact O-N 3.47Å; I416-L439 HydrophobicContact CG2-CD1 3.86Å; I416-L439 HydrophobicContact CG2-CD2 3.92Å
417	I	98.1	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-45.3	178.6	-64.5	172.4	0	0	0	110.2	V413 A414 I420 A421 L439 I441 T453 A456 I457 A460 I467	V413-I417 HydrophobicContact CG2-CD1 4.06Å; V413-I417 PolarHBondContact O-N 3.39Å; V413-I417 VanDerWaalsContact O-N 3.12Å; A414-I417 PolarHBondContact O-N 3.42Å; I417-I420 PolarHBondContact O-N 3.03Å; I417-A421 WeakPolarHBondContact O-CB 3.18Å; I417-A421 PolarHBondContact O-N 3.2Å; I417-L439 HydrophobicContact CG1-CD2 4.12Å; I417-I441 HydrophobicContact CD1-CD1 4.28Å; I417-I441 HydrophobicContact CG1-CD1 4.06Å; I417-T453 HydrophobicContact CD1-CG2 4.07Å; I417-A456 HydrophobicContact CB-CB 4Å; I417-A456 HydrophobicContact CG2-CB 3.67Å; I417-I457 HydrophobicContact CD1-CG1 4.08Å; I417-A460 HydrophobicContact CG2-CB 4.2Å; I417-I467 HydrophobicContact CD1-CD1 4.33Å; I417-I467 HydrophobicContact CG1-CD1 4.23Å; I417-I467 HydrophobicContact CG2-CD1 3.75Å
418	N	97.8	Very high	92.5	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-40.5	177.8	-77.5	-60.1	0	0	0	112.5	A414 P415 I416 K422	A414-N418 WeakPolarHBondContact O-CB 3.1Å; A414-N418 PolarHBondContact O-N 3.33Å; A414-N418 PolarHBondContact O-ND2 2.97Å; P415-N418 PolarHBondContact O-N 2.87Å; I416-N418 VanDerWaalsContact C-N 3.28Å; I416-N418 PolarHBondContact O-N 3.45Å; N418-K422 WeakPolarHBondContact O-CB 3.19Å; N418-K422 PolarHBondContact O-N 3.07Å
419	R	96.1	Very high	90.9	Very high	74 Å²	74	48.2 Å²	48.2	28%	0.279	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-51.9	176.1	175.2	172.1	173.4	-167.3	-2.6	110.9	D376 D386 P415 I416 K422 V423	D376-R419 WeakPolarHBondContact OD1-CD 3.01Å; D376-R419 IonicContact OD1-CZ 3.88Å; D376-R419 IonicContact OD1-NE 3.82Å; D376-R419 IonicContact OD1-NH1 3.88Å; D376-R419 PolarHBondContact OD1-NH1 3.45Å; D376-R419 WeakPolarHBondContact OD2-CD 3.47Å; D376-R419 IonicContact OD2-NH1 3.41Å; D386-R419 VanDerWaalsContact CG-NH2 3.31Å; D386-R419 IonicContact OD1-NH2 3.23Å; D386-R419 IonicContact OD2-CZ 3.89Å; D386-R419 IonicContact OD2-NH1 3.29Å; D386-R419 IonicContact OD2-NH2 2.71Å; D386-R419 PolarHBondContact OD2-NH2 3.43Å; P415-R419 PolarHBondContact O-N 3.42Å; I416-R419 PolarHBondContact O-N 3.36Å; I416-R419 VanDerWaalsContact O-N 3.14Å; R419-K422 WeakPolarHBondContact O-CB 3.49Å; R419-K422 PolarHBondContact O-N 3.14Å; R419-V423 WeakPolarHBondContact O-CG2 3.1Å; R419-V423 PolarHBondContact O-N 3.18Å
420	I	96.8	Very high	89.9	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-36.5	-176.6	-56	-50.6	0	0	0	111.6	T309 L361 I416 I417 K422 V423 A424 L439 L465	T309-I420 HydrophobicContact CG2-CD1 3.77Å; T309-I420 HydrophobicContact CG2-CG1 4.14Å; L361-I420 HydrophobicContact CD1-CD1 4.1Å; I416-I420 HydrophobicContact CG2-CG1 4.35Å; I416-I420 WeakPolarHBondContact O-CG1 3.29Å; I416-I420 PolarHBondContact O-N 3.47Å; I417-I420 PolarHBondContact O-N 3.03Å; I420-K422 PolarHBondContact O-N 3.37Å; I420-V423 PolarHBondContact O-N 3.12Å; I420-A424 VanDerWaalsContact O-CB 3.29Å; I420-A424 WeakPolarHBondContact O-CB 3.29Å; I420-A424 PolarHBondContact O-N 3.4Å; I420-L439 HydrophobicContact CB-CD2 4.3Å; I420-L439 HydrophobicContact CG1-CD1 4.21Å; I420-L439 HydrophobicContact CG1-CD2 4.21Å; I420-L439 HydrophobicContact CG2-CB 4.38Å; I420-L465 HydrophobicContact CG2-CD1 3.7Å; I420-L465 HydrophobicContact CG2-CD2 4.24Å
421	A	96.5	Very high	89	Confident	10 Å²	10	55.5 Å²	55.5	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-37.7	171.8	0	0	0	0	0	112	I417 A425 A460 Q463 L465	I417-A421 WeakPolarHBondContact O-CB 3.18Å; I417-A421 PolarHBondContact O-N 3.2Å; A421-A425 WeakPolarHBondContact O-CB 3.06Å; A421-A425 PolarHBondContact O-N 3.18Å; A421-A460 HydrophobicContact CB-CB 3.92Å; A421-Q463 HydrophobicContact CB-CG 4.46Å; A421-L465 HydrophobicContact CB-CD2 4.26Å
422	K	94.9	Very high	88.7	Confident	170 Å²	170	58.1 Å²	58.1	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-67.8	-42.3	175	-174	-176	177.8	-172.5	0	112.1	N418 R419 I420 A425 G426	N418-K422 WeakPolarHBondContact O-CB 3.19Å; N418-K422 PolarHBondContact O-N 3.07Å; R419-K422 WeakPolarHBondContact O-CB 3.49Å; R419-K422 PolarHBondContact O-N 3.14Å; I420-K422 PolarHBondContact O-N 3.37Å; K422-A425 PolarHBondContact O-N 2.95Å; K422-G426 PolarHBondContact O-N 2.6Å
423	V	93	Very high	88.5	Confident	81 Å²	81	56.6 Å²	56.6	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-46.7	174.3	173.8	0	0	0	0	110.4	R419 I420 A425 G426	R419-V423 WeakPolarHBondContact O-CG2 3.1Å; R419-V423 PolarHBondContact O-N 3.18Å; I420-V423 PolarHBondContact O-N 3.12Å; V423-A425 VanDerWaalsContact C-N 3.31Å; V423-A425 PolarHBondContact O-N 2.8Å; V423-G426 PolarHBondContact O-N 3.23Å
424	A	93.9	Very high	88.3	Confident	1 Å²	1	58 Å²	58	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-34.4	179.4	0	0	0	0	0	113.1	I420 G426 H437 Q463 P464 L465	I420-A424 VanDerWaalsContact O-CB 3.29Å; I420-A424 WeakPolarHBondContact O-CB 3.29Å; I420-A424 PolarHBondContact O-N 3.4Å; A424-G426 VanDerWaalsContact C-N 3.27Å; A424-G426 PolarHBondContact O-N 3.24Å; A424-H437 HydrophobicContact CB-CB 4.31Å; A424-Q463 HydrophobicContact CB-CB 4.22Å; A424-P464 HydrophobicContact CB-CG 4.15Å; A424-P464 WeakPolarHBondContact O-CD 3.01Å; A424-P464 VanDerWaalsContact O-CG 3.25Å; A424-P464 WeakPolarHBondContact O-CG 3.45Å; A424-L465 HydrophobicContact CB-CB 4.3Å
425	A	91.4	Very high	88.1	Confident	21 Å²	21	63.4 Å²	63.4	17%	0.174	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-28.4	174.8	0	0	0	0	0	113.2	A421 K422 V423 G428 Q463	A421-A425 WeakPolarHBondContact O-CB 3.06Å; A421-A425 PolarHBondContact O-N 3.18Å; K422-A425 PolarHBondContact O-N 2.95Å; V423-A425 VanDerWaalsContact C-N 3.31Å; V423-A425 PolarHBondContact O-N 2.8Å; A425-G428 PolarHBondContact O-N 2.9Å; A425-Q463 HydrophobicContact CB-CG 4.4Å; A425-Q463 VanDerWaalsContact CB-OE1 3.23Å
426	G	84.9	Confident	88	Confident	45 Å²	45	61.1 Å²	61.1	46%	0.464	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	-145.4	-174.8	0	0	0	0	0	113	K422 V423 A424 G428	K422-G426 PolarHBondContact O-N 2.6Å; V423-G426 PolarHBondContact O-N 3.23Å; A424-G426 VanDerWaalsContact C-N 3.27Å; A424-G426 PolarHBondContact O-N 3.24Å; G426-G428 PolarHBondContact O-N 3.14Å
427	D	74.9	Confident	88	Confident	178 Å²	178	61.6 Å²	61.6	95%	0.952	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	17.7	177.6	-65.1	-29.4	0	0	0	113.8	N429	D427-N429 PolarHBondContact O-N 2.81Å
428	G	64.4	Low	87.9	Confident	58 Å²	58	61.6 Å²	61.6	60%	0.598	33%	0.331	S	S	*	.	S	Bend	trans	83.2	2.9	171.5	0	0	0	0	0	116.3	A425 G426	A425-G428 PolarHBondContact O-N 2.9Å; G426-G428 PolarHBondContact O-N 3.14Å
429	N	63.2	Low	87.9	Confident	132 Å²	132	58.5 Å²	58.5	71%	0.706	32%	0.315	S	S	*	.			trans	-135.3	84.9	173.5	-82.6	-40.8	0	0	0	110.9	D427 K431	D427-N429 PolarHBondContact O-N 2.81Å; N429-K431 PolarHBondContact O-N 3.46Å; N429-K431 VanDerWaalsContact O-N 3.14Å
430	I	70.5	Confident	88	Confident	46 Å²	46	55 Å²	55	24%	0.236	30%	0.302	C	S	.	.			trans	-68.3	108.8	166.6	-63.9	161.8	0	0	0	107.1	D432 P464 Y534 I540	I430-D432 WeakPolarHBondContact CG2-O 3.34Å; I430-P464 HydrophobicContact CD1-CB 4.44Å; I430-P464 VanDerWaalsContact CD1-CD 3.45Å; I430-P464 HydrophobicContact CD1-CG 3.54Å; I430-Y534 WeakPolarHBondContact CD1-OH 3.28Å; I430-I540 HydrophobicContact CG2-CD1 4.01Å
431	K	76.2	Confident	88.1	Confident	182 Å²	182	54.9 Å²	54.9	79%	0.791	30%	0.301	S	S	*	.			trans	-92.3	-20.2	-176.3	-68	-179.5	-177.5	175.7	0	113.1	N429	N429-K431 PolarHBondContact O-N 3.46Å; N429-K431 VanDerWaalsContact O-N 3.14Å
432	D	87.8	Confident	88.1	Confident	67 Å²	67	54.4 Å²	54.4	36%	0.358	30%	0.297	S	S	.	.	S	Bend	trans	-147.9	171	-173.7	54.7	35.7	0	0	0	110.9	I430 S434 M543	I430-D432 WeakPolarHBondContact CG2-O 3.34Å; D432-S434 PolarHBondContact O-N 3.42Å; D432-S434 WeakPolarHBondContact OD1-CB 3.33Å; D432-S434 PolarHBondContact OD1-N 2.62Å; D432-S434 PolarHBondContact OD1-OG 2.86Å; D432-M543 HydrophobicContact CB-CG 4.01Å; D432-M543 HydrophobicContact CB-SD 3.98Å
433	A	91.3	Very high	88.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	26%	0.262	C	S	.	.	S	Bend	trans	-87.9	46.6	175.6	0	0	0	0	0	111.9	Y299 C304 F535 I540 M543	Y299-A433 HydrophobicContact CD1-CB 3.54Å; Y299-A433 HydrophobicContact CE1-CB 3.84Å; C304-A433 VanDerWaalsContact CA-O 3.26Å; C304-A433 WeakPolarHBondContact CA-O 3.49Å; C304-A433 WeakPolarHBondContact CB-O 3.24Å; C304-A433 PolarHBondContact SG-O 3.42Å; A433-F535 HydrophobicContact CB-CD1 3.86Å; A433-F535 HydrophobicContact CB-CD2 4.27Å; A433-F535 HydrophobicContact CB-CE1 3.59Å; A433-F535 HydrophobicContact CB-CE2 4.01Å; A433-F535 HydrophobicContact CB-CG 4.21Å; A433-F535 HydrophobicContact CB-CZ 3.67Å; A433-I540 HydrophobicContact CB-CG2 3.92Å; A433-M543 WeakPolarHBondContact O-CE 3.4Å
434	S	91.1	Very high	88.1	Confident	30 Å²	30	43 Å²	43	21%	0.21	24%	0.242	C	C	.	.			trans	-77.5	-27.3	-177.8	53.8	0	0	0	0	114.7	Q305 D432 M543	Q305-S434 PolarHBondContact N-O 2.79Å; D432-S434 PolarHBondContact O-N 3.42Å; D432-S434 WeakPolarHBondContact OD1-CB 3.33Å; D432-S434 PolarHBondContact OD1-N 2.62Å; D432-S434 PolarHBondContact OD1-OG 2.86Å; S434-M543 VanDerWaalsContact CA-CE 3.49Å
435	R	92.6	Very high	87.6	Confident	118 Å²	118	43.5 Å²	43.5	45%	0.445	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.6	-172	69.1	-172.4	74.4	-175.3	-1.5	112.6	Q305	Q305-R435 CarbonylContact O-C 3.45Å; Q305-R435 WeakPolarHBondContact O-CA 3.43Å
436	Y	95.5	Very high	87	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.9	169.4	-166	-86.6	0	0	0	109	Q305 I306 H307 P464 L465 S466 R500 V531 Y534 F535	Q305-Y436 PolarHBondContact O-N 2.91Å; I306-Y436 CarbonylContact C-O 3.55Å; I306-Y436 WeakPolarHBondContact CA-O 3.39Å; H307-Y436 PolarHBondContact N-O 3.13Å; Y436-P464 HydrophobicContact CD2-CB 3.8Å; Y436-P464 HydrophobicContact CE2-CB 4.24Å; Y436-P464 HydrophobicContact CG-CB 4.49Å; Y436-L465 PolarHBondContact OH-O 3.43Å; Y436-S466 VanDerWaalsContact CE1-OG 3.32Å; Y436-S466 WeakPolarHBondContact CE1-OG 3.34Å; Y436-S466 PolarHBondContact OH-OG 3.06Å; Y436-R500 PolarHBondContact OH-NH1 3.49Å; Y436-R500 VanDerWaalsContact OH-NH1 3.16Å; Y436-V531 HydrophobicContact CD1-CG2 3.6Å; Y436-V531 HydrophobicContact CD2-CB 4.49Å; Y436-V531 HydrophobicContact CD2-CG1 4.44Å; Y436-V531 HydrophobicContact CD2-CG2 4.01Å; Y436-V531 HydrophobicContact CE1-CG2 3.58Å; Y436-V531 HydrophobicContact CE2-CB 4.4Å; Y436-V531 HydrophobicContact CE2-CG2 3.99Å; Y436-V531 HydrophobicContact CG-CG2 3.82Å; Y436-Y534 HydrophobicContact CD2-CD1 4.35Å; Y436-Y534 HydrophobicContact CE2-CD1 4.23Å; Y436-Y534 HydrophobicContact CE2-CG 4.14Å; Y436-F535 HydrophobicContact CD2-CE2 4.23Å; Y436-F535 HydrophobicContact CD2-CZ 4.38Å
437	H	96.6	Very high	87.1	Confident	11 Å²	11	43 Å²	43	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.1	-174.6	-60.5	73.1	0	0	0	110.9	H307 A424 P464 L465 S466	H307-H437 AromaticContact CD2-NE2 3.92Å; H307-H437 CarbonylContact O-C 3.51Å; H307-H437 WeakPolarHBondContact O-CA 3.45Å; A424-H437 HydrophobicContact CB-CB 4.31Å; H437-P464 PolarHBondContact N-O 2.96Å; H437-P464 PolarHBondContact ND1-O 3.26Å; H437-L465 HydrophobicContact CB-CD1 3.66Å; H437-L465 CarbonylContact O-C 3.5Å; H437-L465 WeakPolarHBondContact O-CA 3.41Å; H437-S466 PolarHBondContact O-N 3.17Å
438	I	97.2	Very high	87.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.8	168.7	-62.2	175.3	0	0	0	107.7	F83 I306 H307 F308 T309 S466 I468 V527	F83-I438 HydrophobicContact CZ-CD1 4.37Å; I306-I438 HydrophobicContact CG2-CB 4.5Å; I306-I438 HydrophobicContact CG2-CD1 3.35Å; I306-I438 HydrophobicContact CG2-CG1 3.73Å; H307-I438 PolarHBondContact O-N 3.08Å; F308-I438 HydrophobicContact CD2-CB 4.11Å; F308-I438 HydrophobicContact CD2-CG2 3.94Å; F308-I438 HydrophobicContact CE2-CG2 4.11Å; T309-I438 PolarHBondContact N-O 3.12Å; I438-S466 WeakPolarHBondContact CA-O 3.28Å; I438-I468 HydrophobicContact CG2-CD1 3.62Å; I438-I468 HydrophobicContact CG2-CG1 4.27Å; I438-V527 HydrophobicContact CD1-CG1 3.68Å; I438-V527 HydrophobicContact CD1-CG2 4.38Å; I438-V527 HydrophobicContact CG1-CG1 4.25Å
439	L	98.1	Very high	89.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111	171.2	170.4	57.8	0	0	0	109.4	T309 A311 I416 I417 I420 I441 L465 S466 I467 I468	T309-L439 HydrophobicContact CG2-CD1 4.02Å; T309-L439 WeakPolarHBondContact O-CA 3.42Å; A311-L439 HydrophobicContact CB-CD1 3.97Å; I416-L439 HydrophobicContact CG2-CD1 3.86Å; I416-L439 HydrophobicContact CG2-CD2 3.92Å; I417-L439 HydrophobicContact CG1-CD2 4.12Å; I420-L439 HydrophobicContact CB-CD2 4.3Å; I420-L439 HydrophobicContact CG1-CD1 4.21Å; I420-L439 HydrophobicContact CG1-CD2 4.21Å; I420-L439 HydrophobicContact CG2-CB 4.38Å; L439-I441 HydrophobicContact CD1-CG1 4.21Å; L439-I441 HydrophobicContact CD2-CD1 4.07Å; L439-I441 HydrophobicContact CD2-CG1 4.17Å; L439-I441 HydrophobicContact CG-CD1 4.31Å; L439-I441 HydrophobicContact CG-CG1 3.86Å; L439-L465 HydrophobicContact CB-CD1 4.09Å; L439-S466 PolarHBondContact N-O 2.77Å; L439-I467 CarbonylContact O-C 3.55Å; L439-I467 WeakPolarHBondContact O-CA 3.45Å; L439-I468 PolarHBondContact O-N 2.87Å
440	L	97.9	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117	170	175	65.9	0	0	0	110.2	F308 T309 V310 A311 V345 L442 I468 V470	F308-L440 HydrophobicContact CE2-CB 3.74Å; F308-L440 HydrophobicContact CE2-CD2 4.35Å; F308-L440 HydrophobicContact CZ-CB 3.88Å; F308-L440 HydrophobicContact CZ-CD2 3.73Å; F308-L440 HydrophobicContact CZ-CG 4.46Å; T309-L440 PolarHBondContact O-N 2.97Å; V310-L440 CarbonylContact C-O 3.54Å; V310-L440 WeakPolarHBondContact CA-O 3.3Å; A311-L440 PolarHBondContact N-O 2.64Å; V345-L440 HydrophobicContact CB-CD2 4.01Å; V345-L440 HydrophobicContact CG1-CD2 4.13Å; V345-L440 HydrophobicContact CG2-CD2 4.27Å; L440-L442 HydrophobicContact CD1-CD2 3.88Å; L440-L442 HydrophobicContact CD2-CD2 4.07Å; L440-L442 HydrophobicContact CD2-CG 4.49Å; L440-L442 HydrophobicContact CG-CD2 3.91Å; L440-L442 HydrophobicContact CG-CG 4.32Å; L440-I468 CarbonylContact C-O 3.58Å; L440-I468 WeakPolarHBondContact CA-O 2.97Å; L440-I468 HydrophobicContact CD1-CB 4.08Å; L440-I468 HydrophobicContact CD1-CG2 3.56Å; L440-V470 HydrophobicContact CD1-CG2 3.77Å
441	I	97.9	Very high	91.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.6	174.2	-52.7	-179	0	0	0	108.5	A311 F363 V413 I417 L439 I467 I468 I469 V470	A311-I441 HydrophobicContact CB-CG1 4.27Å; A311-I441 WeakPolarHBondContact O-CA 3.45Å; F363-I441 HydrophobicContact CE1-CG2 4Å; F363-I441 HydrophobicContact CZ-CG2 3.93Å; V413-I441 HydrophobicContact CB-CD1 4.39Å; V413-I441 HydrophobicContact CG1-CG2 4.16Å; I417-I441 HydrophobicContact CD1-CD1 4.28Å; I417-I441 HydrophobicContact CG1-CD1 4.06Å; L439-I441 HydrophobicContact CD1-CG1 4.21Å; L439-I441 HydrophobicContact CD2-CD1 4.07Å; L439-I441 HydrophobicContact CD2-CG1 4.17Å; L439-I441 HydrophobicContact CG-CD1 4.31Å; L439-I441 HydrophobicContact CG-CG1 3.86Å; I441-I467 HydrophobicContact CD1-CG2 3.92Å; I441-I467 HydrophobicContact CG1-CG2 4.43Å; I441-I468 PolarHBondContact N-O 3.49Å; I441-I469 HydrophobicContact CB-CG1 4.31Å; I441-I469 HydrophobicContact CD1-CG1 4.38Å; I441-I469 CarbonylContact O-C 3.44Å; I441-I469 WeakPolarHBondContact O-CA 3.37Å; I441-V470 PolarHBondContact O-N 2.95Å
442	L	97.6	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.1	172.9	-54.6	-177	0	0	0	108.7	A311 D313 Y338 A341 L342 L440 V470	A311-L442 PolarHBondContact O-N 3.06Å; D313-L442 WeakPolarHBondContact CB-O 3.14Å; D313-L442 PolarHBondContact N-O 3.46Å; Y338-L442 HydrophobicContact CD1-CB 3.58Å; Y338-L442 HydrophobicContact CD1-CD1 3.91Å; Y338-L442 HydrophobicContact CD1-CG 4.4Å; Y338-L442 HydrophobicContact CE1-CB 3.69Å; A341-L442 HydrophobicContact CB-CD1 4.33Å; A341-L442 HydrophobicContact CB-CD2 3.83Å; L342-L442 HydrophobicContact CD1-CD1 4.42Å; L342-L442 HydrophobicContact CD2-CD1 3.54Å; L342-L442 HydrophobicContact CG-CD1 3.59Å; L440-L442 HydrophobicContact CD1-CD2 3.88Å; L440-L442 HydrophobicContact CD2-CD2 4.07Å; L440-L442 HydrophobicContact CD2-CG 4.49Å; L440-L442 HydrophobicContact CG-CD2 3.91Å; L440-L442 HydrophobicContact CG-CG 4.32Å; L442-V470 HydrophobicContact CD2-CB 3.63Å; L442-V470 HydrophobicContact CD2-CG1 4.3Å; L442-V470 HydrophobicContact CD2-CG2 4.14Å
443	T	95.7	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.6	-178.3	-177.9	0	0	0	0	112.3	D313 G445 I469 V470 G471 V472	D313-T443 WeakPolarHBondContact OD2-CA 3.46Å; D313-T443 WeakPolarHBondContact OD2-CB 3.31Å; D313-T443 PolarHBondContact OD2-OG1 3.25Å; T443-G445 PolarHBondContact OG1-N 2.74Å; T443-G445 PolarHBondContact OG1-O 2.91Å; T443-I469 HydrophobicContact CG2-CG2 4.13Å; T443-V470 PolarHBondContact N-O 3.23Å; T443-G471 CarbonylContact O-C 3.3Å; T443-G471 WeakPolarHBondContact O-CA 3.45Å; T443-V472 WeakPolarHBondContact O-CG2 3.21Å; T443-V472 PolarHBondContact O-N 3.02Å
444	D	92.4	Very high	93	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.064	16%	0.16	C	C	.	.	S	Bend	trans	-94.2	-2.6	179	78.7	-44.4	0	0	0	114.8	D313 S317 N318 L327 Y338 V472 A475	D313-D444 PolarHBondContact OD2-N 2.93Å; S317-D444 WeakPolarHBondContact CB-OD2 3.46Å; S317-D444 PolarHBondContact OG-OD1 3.08Å; S317-D444 PolarHBondContact OG-OD2 3.03Å; N318-D444 WeakPolarHBondContact CA-OD2 3.49Å; N318-D444 VanDerWaalsContact CG-CG 3.42Å; N318-D444 PolarHBondContact N-OD2 2.83Å; N318-D444 VanDerWaalsContact N-OD2 3.12Å; N318-D444 VanDerWaalsContact ND2-CG 3.27Å; N318-D444 PolarHBondContact ND2-OD1 2.87Å; N318-D444 VanDerWaalsContact OD1-CB 3.28Å; N318-D444 WeakPolarHBondContact OD1-CB 3.26Å; N318-D444 VanDerWaalsContact OD1-CG 3.28Å; L327-D444 HydrophobicContact CD1-CB 3.38Å; Y338-D444 PolarHBondContact OH-N 2.93Å; D444-V472 WeakPolarHBondContact CA-O 3.32Å; D444-V472 HydrophobicContact CB-CG2 3.84Å; D444-A475 WeakPolarHBondContact O-CB 3.38Å
445	G	82.6	Confident	93.2	Very high	10 Å²	10	29.3 Å²	29.3	10%	0.103	16%	0.155	C	C	.	.	S	Bend	trans	-156.4	-174.5	-170.4	0	0	0	0	0	114.4	T443	T443-G445 PolarHBondContact OG1-N 2.74Å; T443-G445 PolarHBondContact OG1-O 2.91Å
446	V	79.3	Confident	93.5	Very high	51 Å²	51	23.7 Å²	23.7	31%	0.309	13%	0.134	S	C	.	.			trans	-75.4	133.9	-178.7	-178.2	0	0	0	0	110.2	T448 M450 D476 D479 M480	V446-T448 PolarHBondContact O-N 2.9Å; V446-M450 HydrophobicContact CG1-CE 4.5Å; V446-D476 WeakPolarHBondContact CG2-O 3.36Å; V446-D479 HydrophobicContact CG1-CB 3.89Å; V446-M480 HydrophobicContact CG1-CE 4.08Å
447	V	85.4	Confident	93.5	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	14%	0.135	C	C	.	.			trans	-58.7	121.6	170.9	175.8	0	0	0	0	110.4	T411 V413 D449 M450 T453 M480	T411-V447 CarbonylContact O-C 3.53Å; T411-V447 WeakPolarHBondContact O-CA 3.48Å; V413-V447 HydrophobicContact CG1-CG2 4.06Å; V413-V447 HydrophobicContact CG2-CB 4.41Å; V413-V447 HydrophobicContact CG2-CG1 3.7Å; V413-V447 HydrophobicContact CG2-CG2 3.73Å; V447-D449 WeakPolarHBondContact CG1-OD1 3.39Å; V447-M450 HydrophobicContact CB-CE 4.34Å; V447-T453 HydrophobicContact CG1-CG2 4.35Å; V447-T453 WeakPolarHBondContact CG1-OG1 3.25Å; V447-M480 HydrophobicContact CB-CE 3.74Å; V447-M480 HydrophobicContact CG2-CE 3.6Å; V447-M480 HydrophobicContact CG2-SD 3.76Å
448	T	88.9	Confident	93.5	Very high	92 Å²	92	23.4 Å²	23.4	56%	0.564	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-33.6	-178.8	-52	0	0	0	0	111.9	P410 T411 V446 M450	P410-T448 HydrophobicContact CB-CG2 3.8Å; T411-T448 PolarHBondContact N-OG1 3.06Å; T411-T448 PolarHBondContact O-N 2.91Å; V446-T448 PolarHBondContact O-N 2.9Å; T448-M450 VanDerWaalsContact C-N 3.29Å; T448-M450 PolarHBondContact O-N 2.79Å
449	D	92.8	Very high	93.4	Very high	16 Å²	16	29.7 Å²	29.7	9%	0.086	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	43.5	179.5	67.1	-12.6	0	0	0	112.9	N412 V413 A414 V447 A451 D452 T453	N412-D449 WeakPolarHBondContact CA-OD1 3.43Å; N412-D449 WeakPolarHBondContact CA-OD2 3.4Å; N412-D449 HydrophobicContact CB-CB 4.25Å; N412-D449 VanDerWaalsContact CB-OD2 3.28Å; N412-D449 WeakPolarHBondContact CB-OD2 3.39Å; V413-D449 PolarHBondContact N-OD1 2.92Å; V413-D449 VanDerWaalsContact N-OD1 3.16Å; V413-D449 PolarHBondContact N-OD2 3.42Å; A414-D449 WeakPolarHBondContact CB-OD2 3.28Å; A414-D449 PolarHBondContact N-OD2 3.4Å; A414-D449 VanDerWaalsContact N-OD2 3.08Å; V447-D449 WeakPolarHBondContact CG1-OD1 3.39Å; D449-A451 VanDerWaalsContact C-N 3.28Å; D449-A451 PolarHBondContact O-N 2.89Å; D449-A451 VanDerWaalsContact O-N 3.14Å; D449-D452 HydrophobicContact CB-CB 4.3Å; D449-D452 PolarHBondContact O-N 3.28Å; D449-T453 WeakPolarHBondContact O-CB 3.37Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 PolarHBondContact O-OG1 3.02Å; D449-T453 PolarHBondContact OD1-OG1 2.82Å
450	M	90.9	Very high	93.4	Very high	40 Å²	40	29.7 Å²	29.7	20%	0.197	16%	0.157	C	C	.	.	H	α-helix	trans	-52.6	-40.8	-173.3	-174.8	59.6	70.4	0	0	113.9	V446 V447 T448 T453 R454 D479 M480 L483	V446-M450 HydrophobicContact CG1-CE 4.5Å; V447-M450 HydrophobicContact CB-CE 4.34Å; T448-M450 VanDerWaalsContact C-N 3.29Å; T448-M450 PolarHBondContact O-N 2.79Å; M450-T453 PolarHBondContact O-N 3.34Å; M450-R454 WeakPolarHBondContact O-CB 3.45Å; M450-R454 VanDerWaalsContact O-CG 3.23Å; M450-R454 WeakPolarHBondContact O-CG 3.35Å; M450-R454 PolarHBondContact O-N 3.21Å; M450-R454 HydrophobicContact SD-CG 4.37Å; M450-D479 HydrophobicContact CE-CB 3.85Å; M450-M480 HydrophobicContact CE-CE 3.59Å; M450-L483 HydrophobicContact SD-CD1 4.42Å; M450-L483 HydrophobicContact SD-CD2 3.82Å; M450-L483 HydrophobicContact SD-CG 4.35Å
451	A	93.4	Very high	93.3	Very high	53 Å²	53	29.7 Å²	29.7	44%	0.438	16%	0.157	S	C	.	.	H	α-helix	trans	-65	-43.5	178.8	0	0	0	0	0	112.3	D449 E455 P493	D449-A451 VanDerWaalsContact C-N 3.28Å; D449-A451 PolarHBondContact O-N 2.89Å; D449-A451 VanDerWaalsContact O-N 3.14Å; A451-E455 PolarHBondContact O-N 3Å; A451-P493 HydrophobicContact CB-CG 3.86Å; A451-P493 WeakPolarHBondContact O-CG 3.32Å
452	D	96.1	Very high	93.1	Very high	106 Å²	106	34.6 Å²	34.6	57%	0.567	18%	0.176	S	C	*	.	H	α-helix	trans	-72.7	-35.7	178.8	-65	-39.9	0	0	0	111.2	A414 D449 E455 A456	A414-D452 HydrophobicContact CB-CB 3.79Å; D449-D452 HydrophobicContact CB-CB 4.3Å; D449-D452 PolarHBondContact O-N 3.28Å; D452-E455 PolarHBondContact O-N 3.06Å; D452-A456 WeakPolarHBondContact O-CB 3.46Å; D452-A456 PolarHBondContact O-N 3.15Å
453	T	95.6	Very high	93	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-45.5	174.8	-72.5	0	0	0	0	111.1	V413 A414 I417 V447 D449 M450 E455 A456 I457 L483	V413-T453 HydrophobicContact CG2-CG2 3.76Å; V413-T453 WeakPolarHBondContact CG2-OG1 3.46Å; A414-T453 PolarHBondContact N-OG1 2.89Å; I417-T453 HydrophobicContact CD1-CG2 4.07Å; V447-T453 HydrophobicContact CG1-CG2 4.35Å; V447-T453 WeakPolarHBondContact CG1-OG1 3.25Å; D449-T453 WeakPolarHBondContact O-CB 3.37Å; D449-T453 PolarHBondContact O-N 3.36Å; D449-T453 PolarHBondContact O-OG1 3.02Å; D449-T453 PolarHBondContact OD1-OG1 2.82Å; M450-T453 PolarHBondContact O-N 3.34Å; T453-E455 VanDerWaalsContact C-N 3.35Å; T453-E455 PolarHBondContact O-N 3.11Å; T453-A456 PolarHBondContact O-N 2.75Å; T453-I457 HydrophobicContact CG2-CD1 3.78Å; T453-I457 HydrophobicContact CG2-CG1 4.5Å; T453-I457 VanDerWaalsContact O-CG1 3.31Å; T453-I457 WeakPolarHBondContact O-CG1 3.09Å; T453-I457 PolarHBondContact O-N 2.97Å; T453-L483 HydrophobicContact CG2-CD1 4.22Å
454	R	95.1	Very high	93	Very high	76 Å²	76	36.9 Å²	36.9	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-43.6	174.1	-73.8	172	58.8	-175.1	-0.1	112.3	M450 V458 L483 L490 R491	M450-R454 WeakPolarHBondContact O-CB 3.45Å; M450-R454 VanDerWaalsContact O-CG 3.23Å; M450-R454 WeakPolarHBondContact O-CG 3.35Å; M450-R454 PolarHBondContact O-N 3.21Å; M450-R454 HydrophobicContact SD-CG 4.37Å; R454-V458 VanDerWaalsContact O-CG2 3.3Å; R454-V458 WeakPolarHBondContact O-CG2 3.38Å; R454-V458 PolarHBondContact O-N 2.9Å; R454-L483 HydrophobicContact CG-CD2 4.09Å; R454-L490 HydrophobicContact CG-CD1 4.15Å; R454-R491 PolarHBondContact NE-O 2.94Å; R454-R491 PolarHBondContact NH2-O 2.83Å
455	E	96.1	Very high	93.3	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.107	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-41.8	175.1	-179.6	75.1	-170.7	0	0	111.5	A451 D452 T453 V458 R459 S492 K494	A451-E455 PolarHBondContact O-N 3Å; D452-E455 PolarHBondContact O-N 3.06Å; T453-E455 VanDerWaalsContact C-N 3.35Å; T453-E455 PolarHBondContact O-N 3.11Å; E455-V458 PolarHBondContact O-N 3.15Å; E455-R459 WeakPolarHBondContact O-CG 3.46Å; E455-R459 PolarHBondContact O-N 2.95Å; E455-R459 IonicContact OE1-CZ 3.71Å; E455-R459 VanDerWaalsContact OE1-CZ 3.23Å; E455-R459 IonicContact OE1-NE 3.97Å; E455-R459 PolarHBondContact OE1-NE 2.99Å; E455-R459 IonicContact OE1-NH2 3.9Å; E455-R459 PolarHBondContact OE1-NH2 2.93Å; E455-S492 VanDerWaalsContact OE2-CB 3.29Å; E455-S492 WeakPolarHBondContact OE2-CB 3.33Å; E455-K494 IonicContact OE1-NZ 3.12Å
456	A	97.4	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-43.9	178.5	0	0	0	0	0	111.7	A414 I417 D452 T453 R459 A460	A414-A456 HydrophobicContact CB-CB 4.31Å; I417-A456 HydrophobicContact CB-CB 4Å; I417-A456 HydrophobicContact CG2-CB 3.67Å; D452-A456 WeakPolarHBondContact O-CB 3.46Å; D452-A456 PolarHBondContact O-N 3.15Å; T453-A456 PolarHBondContact O-N 2.75Å; A456-R459 PolarHBondContact O-N 2.87Å; A456-A460 VanDerWaalsContact O-CB 3.23Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 3.28Å
457	I	97	Very high	94.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-46.1	176.5	-67.1	161.3	0	0	0	110.8	I417 T453 R459 A460 S461 I467 L483 L490 V498 I502 V503	I417-I457 HydrophobicContact CD1-CG1 4.08Å; T453-I457 HydrophobicContact CG2-CD1 3.78Å; T453-I457 HydrophobicContact CG2-CG1 4.5Å; T453-I457 VanDerWaalsContact O-CG1 3.31Å; T453-I457 WeakPolarHBondContact O-CG1 3.09Å; T453-I457 PolarHBondContact O-N 2.97Å; I457-R459 VanDerWaalsContact C-N 3.3Å; I457-R459 PolarHBondContact O-N 3.37Å; I457-A460 PolarHBondContact O-N 3.02Å; I457-A460 VanDerWaalsContact O-N 3.15Å; I457-S461 PolarHBondContact O-N 2.95Å; I457-I467 HydrophobicContact CG1-CD1 4.17Å; I457-L483 HydrophobicContact CD1-CB 4.49Å; I457-L483 HydrophobicContact CD1-CD1 4.45Å; I457-L483 HydrophobicContact CD1-CD2 3.88Å; I457-L490 HydrophobicContact CB-CD2 3.96Å; I457-L490 HydrophobicContact CD1-CD2 4.07Å; I457-L490 HydrophobicContact CG2-CD2 3.49Å; I457-L490 VanDerWaalsContact CG2-CD2 3.49Å; I457-V498 HydrophobicContact CG2-CG1 4.14Å; I457-I502 HydrophobicContact CG2-CD1 4.05Å; I457-I502 HydrophobicContact CG2-CG1 3.97Å; I457-V503 HydrophobicContact CD1-CG2 4.01Å; I457-V503 HydrophobicContact CG1-CG2 4.15Å; I457-V503 HydrophobicContact CG2-CG2 3.67Å
458	V	96.1	Very high	95.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-43.9	176.8	170	0	0	0	0	111.2	R454 E455 S461 Y462 E496 V498	R454-V458 VanDerWaalsContact O-CG2 3.3Å; R454-V458 WeakPolarHBondContact O-CG2 3.38Å; R454-V458 PolarHBondContact O-N 2.9Å; E455-V458 PolarHBondContact O-N 3.15Å; V458-S461 PolarHBondContact O-N 2.96Å; V458-S461 PolarHBondContact O-OG 2.93Å; V458-Y462 WeakPolarHBondContact O-CD2 3.33Å; V458-Y462 WeakPolarHBondContact O-CE2 3.26Å; V458-E496 HydrophobicContact CG1-CB 4.47Å; V458-V498 HydrophobicContact CB-CG1 4.45Å; V458-V498 HydrophobicContact CG2-CG1 3.67Å
459	R	95.5	Very high	95.7	Very high	131 Å²	131	29 Å²	29	49%	0.494	14%	0.137	S	C	.	.	H	α-helix	trans	-68.3	-40.3	176.3	-68.4	174.5	-174.1	-179.4	4.7	112.8	E455 A456 I457 S461 Y462	E455-R459 WeakPolarHBondContact O-CG 3.46Å; E455-R459 PolarHBondContact O-N 2.95Å; E455-R459 IonicContact OE1-CZ 3.71Å; E455-R459 VanDerWaalsContact OE1-CZ 3.23Å; E455-R459 IonicContact OE1-NE 3.97Å; E455-R459 PolarHBondContact OE1-NE 2.99Å; E455-R459 IonicContact OE1-NH2 3.9Å; E455-R459 PolarHBondContact OE1-NH2 2.93Å; A456-R459 PolarHBondContact O-N 2.87Å; I457-R459 VanDerWaalsContact C-N 3.3Å; I457-R459 PolarHBondContact O-N 3.37Å; R459-S461 PolarHBondContact O-N 2.79Å; R459-Y462 PolarHBondContact O-N 3.19Å
460	A	97.1	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.5	-28.2	178.2	0	0	0	0	0	112.6	I417 A421 A456 I457 Y462 Q463 L465 I467 I502	I417-A460 HydrophobicContact CG2-CB 4.2Å; A421-A460 HydrophobicContact CB-CB 3.92Å; A456-A460 VanDerWaalsContact O-CB 3.23Å; A456-A460 WeakPolarHBondContact O-CB 3.46Å; A456-A460 PolarHBondContact O-N 3.28Å; I457-A460 PolarHBondContact O-N 3.02Å; I457-A460 VanDerWaalsContact O-N 3.15Å; A460-Y462 PolarHBondContact O-N 3.02Å; A460-Q463 WeakPolarHBondContact O-CB 3.22Å; A460-Q463 PolarHBondContact O-N 2.85Å; A460-L465 HydrophobicContact CB-CD2 4.07Å; A460-I467 HydrophobicContact CB-CD1 4.42Å; A460-I502 HydrophobicContact CB-CD1 3.68Å
461	S	95.7	Very high	96	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	179.3	75	0	0	0	0	113.9	I457 V458 R459 L499 R500	I457-S461 PolarHBondContact O-N 2.95Å; V458-S461 PolarHBondContact O-N 2.96Å; V458-S461 PolarHBondContact O-OG 2.93Å; R459-S461 PolarHBondContact O-N 2.79Å; S461-L499 WeakPolarHBondContact OG-CB 3.41Å; S461-L499 PolarHBondContact OG-N 3.31Å; S461-R500 WeakPolarHBondContact O-CG 3.33Å; S461-R500 PolarHBondContact O-NE 3.37Å
462	Y	94.1	Very high	96.1	Very high	105 Å²	105	23.8 Å²	23.8	41%	0.412	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.9	176.3	-66.9	-94.1	0	0	0	114.7	V458 R459 A460 L499 K538	V458-Y462 WeakPolarHBondContact O-CD2 3.33Å; V458-Y462 WeakPolarHBondContact O-CE2 3.26Å; R459-Y462 PolarHBondContact O-N 3.19Å; A460-Y462 PolarHBondContact O-N 3.02Å; Y462-L499 HydrophobicContact CD1-CB 4.49Å; Y462-L499 HydrophobicContact CD1-CD2 3.61Å; Y462-L499 HydrophobicContact CE1-CB 4.21Å; Y462-L499 HydrophobicContact CE1-CD1 4.23Å; Y462-L499 HydrophobicContact CE1-CD2 3.8Å; Y462-L499 HydrophobicContact CE1-CG 4.31Å; Y462-L499 HydrophobicContact CE2-CB 4.26Å; Y462-L499 HydrophobicContact CG-CD2 4.16Å; Y462-K538 WeakPolarHBondContact O-CE 3.39Å; Y462-K538 PolarHBondContact O-NZ 3.41Å
463	Q	96.1	Very high	95.9	Very high	49 Å²	49	18.8 Å²	18.8	23%	0.229	8%	0.076	C	C	.	.	S	Bend	trans	-106.1	161.9	-173	-49.5	-51.2	-27	0	0	111.3	A421 A424 A425 A460 L465 R500 Y534	A421-Q463 HydrophobicContact CB-CG 4.46Å; A424-Q463 HydrophobicContact CB-CB 4.22Å; A425-Q463 HydrophobicContact CB-CG 4.4Å; A425-Q463 VanDerWaalsContact CB-OE1 3.23Å; A460-Q463 WeakPolarHBondContact O-CB 3.22Å; A460-Q463 PolarHBondContact O-N 2.85Å; Q463-L465 PolarHBondContact O-N 3.1Å; Q463-R500 PolarHBondContact O-NH2 2.88Å; Q463-Y534 WeakPolarHBondContact O-CD2 3.35Å; Q463-Y534 WeakPolarHBondContact O-CE2 3.07Å
464	P	96.2	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-77	68.4	176.8	33.9	-37.3	0	0	0	110.8	A424 I430 Y436 H437 Y534	A424-P464 HydrophobicContact CB-CG 4.15Å; A424-P464 WeakPolarHBondContact O-CD 3.01Å; A424-P464 VanDerWaalsContact O-CG 3.25Å; A424-P464 WeakPolarHBondContact O-CG 3.45Å; I430-P464 HydrophobicContact CD1-CB 4.44Å; I430-P464 VanDerWaalsContact CD1-CD 3.45Å; I430-P464 HydrophobicContact CD1-CG 3.54Å; Y436-P464 HydrophobicContact CD2-CB 3.8Å; Y436-P464 HydrophobicContact CE2-CB 4.24Å; Y436-P464 HydrophobicContact CG-CB 4.49Å; H437-P464 PolarHBondContact N-O 2.96Å; H437-P464 PolarHBondContact ND1-O 3.26Å; P464-Y534 HydrophobicContact CB-CD1 3.95Å; P464-Y534 HydrophobicContact CB-CE1 3.51Å; P464-Y534 HydrophobicContact CB-CE2 4.3Å; P464-Y534 HydrophobicContact CG-CE1 4.41Å
465	L	97.4	Very high	95.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.4	-172.9	-180	61.7	0	0	0	111.2	I420 A421 A424 Y436 H437 L439 A460 Q463 I467 R500	I420-L465 HydrophobicContact CG2-CD1 3.7Å; I420-L465 HydrophobicContact CG2-CD2 4.24Å; A421-L465 HydrophobicContact CB-CD2 4.26Å; A424-L465 HydrophobicContact CB-CB 4.3Å; Y436-L465 PolarHBondContact OH-O 3.43Å; H437-L465 HydrophobicContact CB-CD1 3.66Å; H437-L465 CarbonylContact O-C 3.5Å; H437-L465 WeakPolarHBondContact O-CA 3.41Å; L439-L465 HydrophobicContact CB-CD1 4.09Å; A460-L465 HydrophobicContact CB-CD2 4.07Å; Q463-L465 PolarHBondContact O-N 3.1Å; L465-I467 HydrophobicContact CD2-CD1 4.4Å; L465-I467 HydrophobicContact CD2-CG1 4.15Å; L465-I467 HydrophobicContact CG-CG1 4.16Å; L465-R500 PolarHBondContact O-NH2 3.28Å
466	S	97.5	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.4	160.4	-69.4	0	0	0	0	109.5	Y436 H437 I438 L439 Q530	Y436-S466 VanDerWaalsContact CE1-OG 3.32Å; Y436-S466 WeakPolarHBondContact CE1-OG 3.34Å; Y436-S466 PolarHBondContact OH-OG 3.06Å; H437-S466 PolarHBondContact O-N 3.17Å; I438-S466 WeakPolarHBondContact CA-O 3.28Å; L439-S466 PolarHBondContact N-O 2.77Å; S466-Q530 PolarHBondContact OG-OE1 3.41Å
467	I	97.6	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.2	179.2	-56.3	173.1	0	0	0	107	I417 L439 I441 I457 A460 L465 I469 I502 V503 Q504	I417-I467 HydrophobicContact CD1-CD1 4.33Å; I417-I467 HydrophobicContact CG1-CD1 4.23Å; I417-I467 HydrophobicContact CG2-CD1 3.75Å; L439-I467 CarbonylContact O-C 3.55Å; L439-I467 WeakPolarHBondContact O-CA 3.45Å; I441-I467 HydrophobicContact CD1-CG2 3.92Å; I441-I467 HydrophobicContact CG1-CG2 4.43Å; I457-I467 HydrophobicContact CG1-CD1 4.17Å; A460-I467 HydrophobicContact CB-CD1 4.42Å; L465-I467 HydrophobicContact CD2-CD1 4.4Å; L465-I467 HydrophobicContact CD2-CG1 4.15Å; L465-I467 HydrophobicContact CG-CG1 4.16Å; I467-I469 HydrophobicContact CG2-CG1 4.14Å; I467-I502 HydrophobicContact CD1-CD1 3.77Å; I467-I502 HydrophobicContact CD1-CG1 4.37Å; I467-I502 HydrophobicContact CG1-CD1 4.23Å; I467-I502 PolarHBondContact N-O 3.46Å; I467-V503 HydrophobicContact CB-CG2 4.33Å; I467-V503 CarbonylContact O-C 3.57Å; I467-V503 VanDerWaalsContact O-CA 3.23Å; I467-V503 WeakPolarHBondContact O-CA 3.31Å; I467-Q504 PolarHBondContact O-N 3.21Å
468	I	96.4	Very high	93.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	178.6	-64.5	175.7	0	0	0	106.6	I438 L439 L440 I441 V470 Q504 V523 L524 V527	I438-I468 HydrophobicContact CG2-CD1 3.62Å; I438-I468 HydrophobicContact CG2-CG1 4.27Å; L439-I468 PolarHBondContact O-N 2.87Å; L440-I468 CarbonylContact C-O 3.58Å; L440-I468 WeakPolarHBondContact CA-O 2.97Å; L440-I468 HydrophobicContact CD1-CB 4.08Å; L440-I468 HydrophobicContact CD1-CG2 3.56Å; I441-I468 PolarHBondContact N-O 3.49Å; I468-V470 HydrophobicContact CG2-CG2 4.25Å; I468-Q504 CarbonylContact C-O 3.44Å; I468-Q504 WeakPolarHBondContact CA-O 3.36Å; I468-V523 HydrophobicContact CD1-CG1 4.19Å; I468-V523 HydrophobicContact CG2-CG1 3.32Å; I468-L524 HydrophobicContact CD1-CD2 3.76Å; I468-V527 HydrophobicContact CD1-CG2 4Å
469	I	95.1	Very high	93.1	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.7	179.2	-54.2	177.7	0	0	0	108.1	I441 T443 I467 L483 V503 Q504 F505 V506	I441-I469 HydrophobicContact CB-CG1 4.31Å; I441-I469 HydrophobicContact CD1-CG1 4.38Å; I441-I469 CarbonylContact O-C 3.44Å; I441-I469 WeakPolarHBondContact O-CA 3.37Å; T443-I469 HydrophobicContact CG2-CG2 4.13Å; I467-I469 HydrophobicContact CG2-CG1 4.14Å; I469-L483 HydrophobicContact CD1-CD1 4.03Å; I469-V503 HydrophobicContact CD1-CG1 4.03Å; I469-V503 HydrophobicContact CG1-CG1 4.41Å; I469-Q504 PolarHBondContact N-O 3.31Å; I469-F505 HydrophobicContact CB-CD2 3.97Å; I469-F505 HydrophobicContact CG2-CD2 3.81Å; I469-F505 HydrophobicContact CG2-CE2 4.2Å; I469-F505 CarbonylContact O-C 3.55Å; I469-F505 WeakPolarHBondContact O-CA 3.47Å; I469-F505 WeakPolarHBondContact O-CD2 3.4Å; I469-V506 PolarHBondContact O-N 3.24Å
470	V	95.8	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.8	174.4	-179.8	0	0	0	0	109.5	A341 L440 I441 L442 T443 I468 V506 F508 V523	A341-V470 HydrophobicContact CB-CG1 4.19Å; L440-V470 HydrophobicContact CD1-CG2 3.77Å; I441-V470 PolarHBondContact O-N 2.95Å; L442-V470 HydrophobicContact CD2-CB 3.63Å; L442-V470 HydrophobicContact CD2-CG1 4.3Å; L442-V470 HydrophobicContact CD2-CG2 4.14Å; T443-V470 PolarHBondContact N-O 3.23Å; I468-V470 HydrophobicContact CG2-CG2 4.25Å; V470-V506 VanDerWaalsContact CA-O 3.28Å; V470-V506 WeakPolarHBondContact CA-O 3.39Å; V470-F508 HydrophobicContact CG1-CB 4.02Å; V470-F508 HydrophobicContact CG1-CD2 4.33Å; V470-V523 HydrophobicContact CG2-CG1 4.28Å; V470-V523 HydrophobicContact CG2-CG2 3.96Å
471	G	95.4	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.2	178	0	0	0	0	0	111.7	T443 F477 V506 F508	T443-G471 CarbonylContact O-C 3.3Å; T443-G471 WeakPolarHBondContact O-CA 3.45Å; G471-F477 VanDerWaalsContact C-CZ 3.46Å; G471-V506 PolarHBondContact N-O 3.28Å; G471-F508 WeakPolarHBondContact O-CB 3.11Å; G471-F508 PolarHBondContact O-N 3.14Å
472	V	94.8	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.			trans	-95.7	155.6	178.4	-60.4	0	0	0	0	112.4	L327 E337 Y338 T443 D444 F477 F508	L327-V472 HydrophobicContact CD1-CG2 4.48Å; E337-V472 HydrophobicContact CB-CB 4.06Å; E337-V472 HydrophobicContact CB-CG1 3.96Å; Y338-V472 HydrophobicContact CD1-CG2 4.45Å; Y338-V472 HydrophobicContact CD2-CG2 4.19Å; Y338-V472 HydrophobicContact CE1-CG2 3.85Å; Y338-V472 HydrophobicContact CE2-CG2 3.57Å; Y338-V472 WeakPolarHBondContact OH-CG2 3.17Å; T443-V472 WeakPolarHBondContact O-CG2 3.21Å; T443-V472 PolarHBondContact O-N 3.02Å; D444-V472 WeakPolarHBondContact CA-O 3.32Å; D444-V472 HydrophobicContact CB-CG2 3.84Å; V472-F477 WeakPolarHBondContact O-CZ 3.24Å; V472-F508 HydrophobicContact CG1-CB 4.28Å
473	G	92.6	Very high	91	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-153	-178	0	0	0	0	0	113.4	E337	E337-G473 PolarHBondContact OE2-N 3.19Å
474	N	89.3	Confident	90.3	Very high	123 Å²	123	30.4 Å²	30.4	66%	0.658	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.1	20.9	-166.8	-55.8	-44.9	0	0	0	113.6	K512	N474-K512 PolarHBondContact OD1-NZ 3.41Å
475	A	88.9	Confident	89.3	Confident	33 Å²	33	31.1 Å²	31.1	27%	0.273	17%	0.173	S	C	.	.			trans	-61.5	175	177.8	0	0	0	0	0	112.9	D444 F477 R509	D444-A475 WeakPolarHBondContact O-CB 3.38Å; A475-F477 HydrophobicContact CB-CE1 4.09Å; A475-F477 HydrophobicContact CB-CZ 4.18Å; A475-R509 PolarHBondContact O-NH1 2.99Å; A475-R509 PolarHBondContact O-NH2 3.42Å
476	D	86.5	Confident	88.3	Confident	109 Å²	109	36.4 Å²	36.4	58%	0.583	20%	0.202	S	C	*	.			trans	-84.9	123.2	166.1	-172.1	-7.4	0	0	0	108.7	V446 T478	V446-D476 WeakPolarHBondContact CG2-O 3.36Å; D476-T478 WeakPolarHBondContact OD1-CB 3.38Å; D476-T478 PolarHBondContact OD1-N 3.06Å; D476-T478 PolarHBondContact OD1-OG1 2.71Å
477	F	87.7	Confident	87	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	24%	0.241	C	C	.	.			trans	-109.3	14.1	-178.3	-66.3	-52.9	0	0	0	113.3	G471 V472 A475 D479 M480 Q481 F505 P507	G471-F477 VanDerWaalsContact C-CZ 3.46Å; V472-F477 WeakPolarHBondContact O-CZ 3.24Å; A475-F477 HydrophobicContact CB-CE1 4.09Å; A475-F477 HydrophobicContact CB-CZ 4.18Å; F477-D479 PolarHBondContact O-N 2.72Å; F477-M480 HydrophobicContact CB-CB 4.37Å; F477-M480 HydrophobicContact CB-CG 4.36Å; F477-M480 HydrophobicContact CD1-CG 3.98Å; F477-M480 WeakPolarHBondContact O-CA 3.11Å; F477-M480 WeakPolarHBondContact O-CB 3.29Å; F477-M480 PolarHBondContact O-N 3.04Å; F477-Q481 PolarHBondContact O-N 3.42Å; F477-F505 HydrophobicContact CB-CE1 3.8Å; F477-F505 HydrophobicContact CB-CE2 4.42Å; F477-F505 HydrophobicContact CB-CZ 3.43Å; F477-F505 VanDerWaalsContact CB-CZ 3.43Å; F477-F505 HydrophobicContact CD1-CE2 4.44Å; F477-F505 HydrophobicContact CD1-CZ 4.08Å; F477-F505 AromaticContact CD2-CZ 3.88Å; F477-F505 HydrophobicContact CD2-CZ 3.88Å; F477-F505 HydrophobicContact CG-CE1 4.39Å; F477-F505 HydrophobicContact CG-CE2 4.35Å; F477-F505 AromaticContact CG-CZ 3.57Å; F477-F505 HydrophobicContact CG-CZ 3.57Å; F477-P507 HydrophobicContact CD2-CB 4.16Å
478	T	85.2	Confident	85.9	Confident	74 Å²	74	45.9 Å²	45.9	45%	0.454	26%	0.262	S	S	.	.	H	α-helix	trans	-52.2	-42.4	178.4	-56	0	0	0	0	111.8	D476 M480 Q481	D476-T478 WeakPolarHBondContact OD1-CB 3.38Å; D476-T478 PolarHBondContact OD1-N 3.06Å; D476-T478 PolarHBondContact OD1-OG1 2.71Å; T478-M480 VanDerWaalsContact C-N 3.27Å; T478-M480 PolarHBondContact O-N 3.44Å; T478-Q481 WeakPolarHBondContact O-CB 3.29Å; T478-Q481 PolarHBondContact O-N 3.15Å
479	D	81.2	Confident	85.4	Confident	74 Å²	74	50.1 Å²	50.1	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-23.1	178.4	-75.2	-15.3	0	0	0	113.7	V446 M450 F477	V446-D479 HydrophobicContact CG1-CB 3.89Å; M450-D479 HydrophobicContact CE-CB 3.85Å; F477-D479 PolarHBondContact O-N 2.72Å
480	M	84.1	Confident	85.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-77.2	-32.1	175.6	-60.9	-63.5	100.4	0	0	111.5	V446 V447 M450 F477 T478 I482 L483 F505	V446-M480 HydrophobicContact CG1-CE 4.08Å; V447-M480 HydrophobicContact CB-CE 3.74Å; V447-M480 HydrophobicContact CG2-CE 3.6Å; V447-M480 HydrophobicContact CG2-SD 3.76Å; M450-M480 HydrophobicContact CE-CE 3.59Å; F477-M480 HydrophobicContact CB-CB 4.37Å; F477-M480 HydrophobicContact CB-CG 4.36Å; F477-M480 HydrophobicContact CD1-CG 3.98Å; F477-M480 WeakPolarHBondContact O-CA 3.11Å; F477-M480 WeakPolarHBondContact O-CB 3.29Å; F477-M480 PolarHBondContact O-N 3.04Å; T478-M480 VanDerWaalsContact C-N 3.27Å; T478-M480 PolarHBondContact O-N 3.44Å; M480-I482 PolarHBondContact O-N 3.4Å; M480-L483 HydrophobicContact CE-CD1 4.22Å; M480-L483 VanDerWaalsContact O-CB 3.32Å; M480-L483 WeakPolarHBondContact O-CB 3.49Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD1 4.14Å; M480-F505 HydrophobicContact CB-CD1 4.05Å; M480-F505 HydrophobicContact CB-CD2 3.51Å; M480-F505 HydrophobicContact CB-CE1 4.04Å; M480-F505 HydrophobicContact CB-CE2 3.49Å; M480-F505 VanDerWaalsContact CB-CE2 3.49Å; M480-F505 HydrophobicContact CB-CG 3.81Å; M480-F505 HydrophobicContact CB-CZ 3.79Å; M480-F505 HydrophobicContact CG-CD2 4.21Å; M480-F505 HydrophobicContact CG-CE2 3.84Å; M480-F505 HydrophobicContact CG-CZ 4.27Å
481	Q	82.7	Confident	85	Confident	95 Å²	95	56.1 Å²	56.1	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-29.6	174.6	-64.4	176.7	-38	0	0	111.8	F477 T478 L483 D484 F505	F477-Q481 PolarHBondContact O-N 3.42Å; T478-Q481 WeakPolarHBondContact O-CB 3.29Å; T478-Q481 PolarHBondContact O-N 3.15Å; Q481-L483 PolarHBondContact O-N 3.05Å; Q481-D484 WeakPolarHBondContact O-CB 3.19Å; Q481-D484 PolarHBondContact O-N 3.06Å; Q481-F505 HydrophobicContact CG-CD1 4.09Å; Q481-F505 HydrophobicContact CG-CE1 4.29Å
482	I	83.9	Confident	84.8	Confident	97 Å²	97	56.2 Å²	56.2	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28	173.7	-58.5	174.3	0	0	0	111.4	M480 L490	M480-I482 PolarHBondContact O-N 3.4Å; I482-L490 WeakPolarHBondContact O-CD1 3.34Å
483	L	86.1	Confident	84.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-24.2	-179.3	-58.2	178	0	0	0	113	M450 T453 R454 I457 I469 M480 Q481 G485 L490 V503	M450-L483 HydrophobicContact SD-CD1 4.42Å; M450-L483 HydrophobicContact SD-CD2 3.82Å; M450-L483 HydrophobicContact SD-CG 4.35Å; T453-L483 HydrophobicContact CG2-CD1 4.22Å; R454-L483 HydrophobicContact CG-CD2 4.09Å; I457-L483 HydrophobicContact CD1-CB 4.49Å; I457-L483 HydrophobicContact CD1-CD1 4.45Å; I457-L483 HydrophobicContact CD1-CD2 3.88Å; I469-L483 HydrophobicContact CD1-CD1 4.03Å; M480-L483 HydrophobicContact CE-CD1 4.22Å; M480-L483 VanDerWaalsContact O-CB 3.32Å; M480-L483 WeakPolarHBondContact O-CB 3.49Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD1 4.14Å; Q481-L483 PolarHBondContact O-N 3.05Å; L483-G485 PolarHBondContact O-N 3.46Å; L483-L490 HydrophobicContact CD2-CD1 4.2Å; L483-L490 HydrophobicContact CD2-CD2 4.46Å; L483-V503 HydrophobicContact CB-CG1 4.12Å; L483-V503 VanDerWaalsContact O-CB 3.27Å; L483-V503 WeakPolarHBondContact O-CB 3.41Å
484	D	82.4	Confident	84.6	Confident	17 Å²	17	67 Å²	67	9%	0.091	37%	0.366	C	S	.	.	S	Bend	trans	-71.7	-3.2	-171.5	-153.9	17.5	0	0	0	114.5	Q481 D486 Q504 F505	Q481-D484 WeakPolarHBondContact O-CB 3.19Å; Q481-D484 PolarHBondContact O-N 3.06Å; D484-D486 PolarHBondContact O-N 2.58Å; D484-Q504 WeakPolarHBondContact OD1-CA 3.43Å; D484-Q504 PolarHBondContact OD1-NE2 2.8Å; D484-Q504 VanDerWaalsContact OD1-NE2 3.11Å; D484-F505 HydrophobicContact CB-CB 4.05Å; D484-F505 PolarHBondContact OD1-N 2.77Å
485	G	74.7	Confident	84.7	Confident	15 Å²	15	62.8 Å²	62.8	16%	0.155	35%	0.352	C	S	.	.	S	Bend	trans	68.9	-22.6	173.4	0	0	0	0	0	117	L483 D487 G488 D501	L483-G485 PolarHBondContact O-N 3.46Å; G485-D487 PolarHBondContact O-N 3.03Å; G485-G488 CarbonylContact O-C 3.54Å; G485-G488 PolarHBondContact O-N 2.77Å; G485-G488 VanDerWaalsContact O-N 3.07Å; G485-D501 WeakPolarHBondContact CA-OD2 3.32Å
486	D	75.9	Confident	84.9	Confident	112 Å²	112	66.1 Å²	66.1	60%	0.599	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.7	-177.4	-89	-16.3	0	0	0	113.9	D484 G488	D484-D486 PolarHBondContact O-N 2.58Å; D486-G488 VanDerWaalsContact C-N 3.28Å; D486-G488 PolarHBondContact O-N 2.94Å
487	D	71.6	Confident	85.2	Confident	155 Å²	155	63.6 Å²	63.6	83%	0.829	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	4.9	-179.4	-74.5	-40.3	0	0	0	113.2	G485	G485-D487 PolarHBondContact O-N 3.03Å
488	G	74.5	Confident	85.5	Confident	43 Å²	43	64.1 Å²	64.1	44%	0.443	36%	0.356	S	S	.	.	S	Bend	trans	145.5	163.6	173.6	0	0	0	0	0	114.6	G485 D486 L490	G485-G488 CarbonylContact O-C 3.54Å; G485-G488 PolarHBondContact O-N 2.77Å; G485-G488 VanDerWaalsContact O-N 3.07Å; D486-G488 VanDerWaalsContact C-N 3.28Å; D486-G488 PolarHBondContact O-N 2.94Å; G488-L490 PolarHBondContact O-N 3.36Å
489	V	85.4	Confident	85.7	Confident	91 Å²	91	63.2 Å²	63.2	55%	0.552	35%	0.348	S	S	*	.			trans	-62.4	112.2	-176.5	-177.9	0	0	0	0	111.3	R491 P497 V498	V489-R491 PolarHBondContact O-N 2.82Å; V489-P497 HydrophobicContact CG1-CB 3.57Å; V489-V498 HydrophobicContact CG1-CG2 3.97Å
490	L	89.9	Confident	86.2	Confident	9 Å²	9	60.1 Å²	60.1	5%	0.047	33%	0.331	C	S	.	.			trans	-57.5	136.4	173.3	-174.7	70.4	0	0	0	110.4	R454 I457 I482 L483 G488 P497 V498	R454-L490 HydrophobicContact CG-CD1 4.15Å; I457-L490 HydrophobicContact CB-CD2 3.96Å; I457-L490 HydrophobicContact CD1-CD2 4.07Å; I457-L490 HydrophobicContact CG2-CD2 3.49Å; I457-L490 VanDerWaalsContact CG2-CD2 3.49Å; I482-L490 WeakPolarHBondContact O-CD1 3.34Å; L483-L490 HydrophobicContact CD2-CD1 4.2Å; L483-L490 HydrophobicContact CD2-CD2 4.46Å; G488-L490 PolarHBondContact O-N 3.36Å; L490-P497 WeakPolarHBondContact O-CA 3.39Å; L490-V498 HydrophobicContact CB-CG1 3.81Å; L490-V498 HydrophobicContact CB-CG2 4.19Å; L490-V498 HydrophobicContact CD2-CG1 3.97Å; L490-V498 HydrophobicContact CG-CG1 4.17Å; L490-V498 PolarHBondContact O-N 2.93Å
491	R	91.5	Very high	86.6	Confident	119 Å²	119	62.2 Å²	62.2	45%	0.449	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-125	149.8	179.1	-68.9	175.9	-178.2	-83.4	-5.5	111.4	R454 V489 G495 E496 P497	R454-R491 PolarHBondContact NE-O 2.94Å; R454-R491 PolarHBondContact NH2-O 2.83Å; V489-R491 PolarHBondContact O-N 2.82Å; R491-G495 PolarHBondContact NH1-O 3.25Å; R491-E496 CarbonylContact C-O 3.59Å; R491-E496 WeakPolarHBondContact CA-O 3.33Å; R491-P497 HydrophobicContact CG-CB 4.35Å
492	S	92.4	Very high	87.2	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	32%	0.321	C	S	.	.			trans	-67.5	165.8	167.9	75.3	0	0	0	0	110.9	E455 K494 G495 E496	E455-S492 VanDerWaalsContact OE2-CB 3.29Å; E455-S492 WeakPolarHBondContact OE2-CB 3.33Å; S492-K494 PolarHBondContact O-N 3.2Å; S492-K494 VanDerWaalsContact O-N 3.09Å; S492-K494 PolarHBondContact OG-N 2.95Å; S492-G495 PolarHBondContact O-N 2.86Å; S492-E496 PolarHBondContact N-O 2.84Å; S492-E496 WeakPolarHBondContact OG-CB 3.12Å; S492-E496 PolarHBondContact OG-N 2.89Å
493	P	90.9	Very high	87.7	Confident	77 Å²	77	53.2 Å²	53.2	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.9	171	-25.8	35.6	0	0	0	114	A451 G495	A451-P493 HydrophobicContact CB-CG 3.86Å; A451-P493 WeakPolarHBondContact O-CG 3.32Å; P493-G495 VanDerWaalsContact C-N 3.34Å
494	K	92.4	Very high	88.1	Confident	150 Å²	150	54 Å²	54	65%	0.652	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.5	176.1	-61.4	172.4	-173.6	162	0	113.4	E455 S492	E455-K494 IonicContact OE1-NZ 3.12Å; S492-K494 PolarHBondContact O-N 3.2Å; S492-K494 VanDerWaalsContact O-N 3.09Å; S492-K494 PolarHBondContact OG-N 2.95Å
495	G	91.1	Very high	88.6	Confident	36 Å²	36	53.6 Å²	53.6	37%	0.371	30%	0.299	S	S	.	.	S	Bend	trans	89.9	1.6	179.9	0	0	0	0	0	115	R491 S492 P493	R491-G495 PolarHBondContact NH1-O 3.25Å; S492-G495 PolarHBondContact O-N 2.86Å; P493-G495 VanDerWaalsContact C-N 3.34Å
496	E	92.9	Very high	89.5	Confident	102 Å²	102	53.3 Å²	53.3	48%	0.477	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-71	126.1	177.8	-61.8	176.2	166.5	0	0	109.9	V458 R491 S492	V458-E496 HydrophobicContact CG1-CB 4.47Å; R491-E496 CarbonylContact C-O 3.59Å; R491-E496 WeakPolarHBondContact CA-O 3.33Å; S492-E496 PolarHBondContact N-O 2.84Å; S492-E496 WeakPolarHBondContact OG-CB 3.12Å; S492-E496 PolarHBondContact OG-N 2.89Å
497	P	93	Very high	90.3	Very high	56 Å²	56	49 Å²	49	36%	0.364	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-74.7	154.2	177.9	31.7	-33.3	0	0	0	111.8	V489 L490 R491	V489-P497 HydrophobicContact CG1-CB 3.57Å; L490-P497 WeakPolarHBondContact O-CA 3.39Å; R491-P497 HydrophobicContact CG-CB 4.35Å
498	V	92.8	Very high	91.4	Very high	22 Å²	22	42 Å²	42	13%	0.133	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-56.9	146	162.4	-68.5	0	0	0	0	110.1	I457 V458 V489 L490	I457-V498 HydrophobicContact CG2-CG1 4.14Å; V458-V498 HydrophobicContact CB-CG1 4.45Å; V458-V498 HydrophobicContact CG2-CG1 3.67Å; V489-V498 HydrophobicContact CG1-CG2 3.97Å; L490-V498 HydrophobicContact CB-CG1 3.81Å; L490-V498 HydrophobicContact CB-CG2 4.19Å; L490-V498 HydrophobicContact CD2-CG1 3.97Å; L490-V498 HydrophobicContact CG-CG1 4.17Å; L490-V498 PolarHBondContact O-N 2.93Å
499	L	90.3	Very high	92.2	Very high	56 Å²	56	43.8 Å²	43.8	29%	0.293	23%	0.228	S	C	.	.	S	Bend	trans	-71.4	-37.6	177.6	-179.1	66	0	0	0	112	S461 Y462	S461-L499 WeakPolarHBondContact OG-CB 3.41Å; S461-L499 PolarHBondContact OG-N 3.31Å; Y462-L499 HydrophobicContact CD1-CB 4.49Å; Y462-L499 HydrophobicContact CD1-CD2 3.61Å; Y462-L499 HydrophobicContact CE1-CB 4.21Å; Y462-L499 HydrophobicContact CE1-CD1 4.23Å; Y462-L499 HydrophobicContact CE1-CD2 3.8Å; Y462-L499 HydrophobicContact CE1-CG 4.31Å; Y462-L499 HydrophobicContact CE2-CB 4.26Å; Y462-L499 HydrophobicContact CG-CD2 4.16Å
500	R	92.1	Very high	92.4	Very high	9 Å²	9	44.7 Å²	44.7	3%	0.034	23%	0.23	C	C	.	.	S	Bend	trans	-152.9	160	-177.9	60	-178.7	-176.1	93.9	7.2	108	Y436 S461 Q463 L465 I502 Q530 E533	Y436-R500 PolarHBondContact OH-NH1 3.49Å; Y436-R500 VanDerWaalsContact OH-NH1 3.16Å; S461-R500 WeakPolarHBondContact O-CG 3.33Å; S461-R500 PolarHBondContact O-NE 3.37Å; Q463-R500 PolarHBondContact O-NH2 2.88Å; L465-R500 PolarHBondContact O-NH2 3.28Å; R500-I502 HydrophobicContact CG-CG2 3.79Å; R500-I502 VanDerWaalsContact NH1-CG2 3.32Å; R500-Q530 PolarHBondContact NH1-O 3.07Å; R500-E533 HydrophobicContact CB-CG 4.28Å; R500-E533 WeakPolarHBondContact CB-OE1 3.36Å
501	D	91.8	Very high	92.4	Very high	44 Å²	44	46 Å²	46	24%	0.235	24%	0.235	C	C	.	.			trans	-72.3	136.6	171.3	-153.9	-15.4	0	0	0	110.7	G485 V503	G485-D501 WeakPolarHBondContact CA-OD2 3.32Å; D501-V503 PolarHBondContact OD1-N 3.27Å
502	I	95	Very high	91.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.232	C	C	.	.			trans	-139	-3.6	-178.7	72.2	168.9	0	0	0	112.9	I457 A460 I467 R500	I457-I502 HydrophobicContact CG2-CD1 4.05Å; I457-I502 HydrophobicContact CG2-CG1 3.97Å; A460-I502 HydrophobicContact CB-CD1 3.68Å; I467-I502 HydrophobicContact CD1-CD1 3.77Å; I467-I502 HydrophobicContact CD1-CG1 4.37Å; I467-I502 HydrophobicContact CG1-CD1 4.23Å; I467-I502 PolarHBondContact N-O 3.46Å; R500-I502 HydrophobicContact CG-CG2 3.79Å; R500-I502 VanDerWaalsContact NH1-CG2 3.32Å
503	V	95.3	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.1	-172.2	-179.5	0	0	0	0	108.4	I457 I467 I469 L483 D501	I457-V503 HydrophobicContact CD1-CG2 4.01Å; I457-V503 HydrophobicContact CG1-CG2 4.15Å; I457-V503 HydrophobicContact CG2-CG2 3.67Å; I467-V503 HydrophobicContact CB-CG2 4.33Å; I467-V503 CarbonylContact O-C 3.57Å; I467-V503 VanDerWaalsContact O-CA 3.23Å; I467-V503 WeakPolarHBondContact O-CA 3.31Å; I469-V503 HydrophobicContact CD1-CG1 4.03Å; I469-V503 HydrophobicContact CG1-CG1 4.41Å; L483-V503 HydrophobicContact CB-CG1 4.12Å; L483-V503 VanDerWaalsContact O-CB 3.27Å; L483-V503 WeakPolarHBondContact O-CB 3.41Å; D501-V503 PolarHBondContact OD1-N 3.27Å
504	Q	93.9	Very high	91	Very high	16 Å²	16	49.9 Å²	49.9	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.8	163.2	-177.7	82.4	86.7	0	0	109.4	I467 I468 I469 D484 V506 E526	I467-Q504 PolarHBondContact O-N 3.21Å; I468-Q504 CarbonylContact C-O 3.44Å; I468-Q504 WeakPolarHBondContact CA-O 3.36Å; I469-Q504 PolarHBondContact N-O 3.31Å; D484-Q504 WeakPolarHBondContact OD1-CA 3.43Å; D484-Q504 PolarHBondContact OD1-NE2 2.8Å; D484-Q504 VanDerWaalsContact OD1-NE2 3.11Å; Q504-V506 HydrophobicContact CG-CG2 3.93Å; Q504-E526 VanDerWaalsContact CD-OE1 3.28Å; Q504-E526 PolarHBondContact NE2-OE1 2.68Å; Q504-E526 PolarHBondContact OE1-OE1 2.85Å
505	F	93.3	Very high	90.5	Very high	10 Å²	10	46 Å²	46	4%	0.044	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.7	170.4	176.8	-105.3	0	0	0	112.1	I469 F477 M480 Q481 D484 P507	I469-F505 HydrophobicContact CB-CD2 3.97Å; I469-F505 HydrophobicContact CG2-CD2 3.81Å; I469-F505 HydrophobicContact CG2-CE2 4.2Å; I469-F505 CarbonylContact O-C 3.55Å; I469-F505 WeakPolarHBondContact O-CA 3.47Å; I469-F505 WeakPolarHBondContact O-CD2 3.4Å; F477-F505 HydrophobicContact CB-CE1 3.8Å; F477-F505 HydrophobicContact CB-CE2 4.42Å; F477-F505 HydrophobicContact CB-CZ 3.43Å; F477-F505 VanDerWaalsContact CB-CZ 3.43Å; F477-F505 HydrophobicContact CD1-CE2 4.44Å; F477-F505 HydrophobicContact CD1-CZ 4.08Å; F477-F505 AromaticContact CD2-CZ 3.88Å; F477-F505 HydrophobicContact CD2-CZ 3.88Å; F477-F505 HydrophobicContact CG-CE1 4.39Å; F477-F505 HydrophobicContact CG-CE2 4.35Å; F477-F505 AromaticContact CG-CZ 3.57Å; F477-F505 HydrophobicContact CG-CZ 3.57Å; M480-F505 HydrophobicContact CB-CD1 4.05Å; M480-F505 HydrophobicContact CB-CD2 3.51Å; M480-F505 HydrophobicContact CB-CE1 4.04Å; M480-F505 HydrophobicContact CB-CE2 3.49Å; M480-F505 VanDerWaalsContact CB-CE2 3.49Å; M480-F505 HydrophobicContact CB-CG 3.81Å; M480-F505 HydrophobicContact CB-CZ 3.79Å; M480-F505 HydrophobicContact CG-CD2 4.21Å; M480-F505 HydrophobicContact CG-CE2 3.84Å; M480-F505 HydrophobicContact CG-CZ 4.27Å; Q481-F505 HydrophobicContact CG-CD1 4.09Å; Q481-F505 HydrophobicContact CG-CE1 4.29Å; D484-F505 HydrophobicContact CB-CB 4.05Å; D484-F505 PolarHBondContact OD1-N 2.77Å; F505-P507 HydrophobicContact CE1-CB 4.21Å; F505-P507 HydrophobicContact CE1-CG 4.29Å; F505-P507 HydrophobicContact CZ-CB 4.17Å
506	V	93.1	Very high	90	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.7	176	-175.1	0	0	0	0	111.1	I469 V470 G471 Q504 F508 F511 L519 C522 V523	I469-V506 PolarHBondContact O-N 3.24Å; V470-V506 VanDerWaalsContact CA-O 3.28Å; V470-V506 WeakPolarHBondContact CA-O 3.39Å; G471-V506 PolarHBondContact N-O 3.28Å; Q504-V506 HydrophobicContact CG-CG2 3.93Å; V506-F508 PolarHBondContact O-N 2.77Å; V506-F511 HydrophobicContact CG1-CD2 4.17Å; V506-F511 HydrophobicContact CG1-CE2 3.51Å; V506-F511 HydrophobicContact CG1-CZ 4.28Å; V506-L519 HydrophobicContact CG1-CD1 4.1Å; V506-C522 HydrophobicContact CG1-CB 4.47Å; V506-V523 HydrophobicContact CB-CG2 3.84Å; V506-V523 HydrophobicContact CG1-CG2 4Å; V506-V523 HydrophobicContact CG2-CB 4.42Å; V506-V523 HydrophobicContact CG2-CG2 3.78Å
507	P	93.8	Very high	89.6	Confident	23 Å²	23	46.4 Å²	46.4	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.4	171.9	31.1	-33.6	0	0	0	110.2	F477 F505 R509 D510	F477-P507 HydrophobicContact CD2-CB 4.16Å; F505-P507 HydrophobicContact CE1-CB 4.21Å; F505-P507 HydrophobicContact CE1-CG 4.29Å; F505-P507 HydrophobicContact CZ-CB 4.17Å; P507-R509 HydrophobicContact CB-CG 4.39Å; P507-R509 PolarHBondContact O-N 2.91Å; P507-D510 WeakPolarHBondContact CG-OD2 3.47Å; P507-D510 PolarHBondContact O-N 3.13Å
508	F	93.4	Very high	89.3	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.8	179.7	-172.7	-85.8	0	0	0	112.7	E337 K340 A341 V470 G471 V472 V506 D510 F511 K512 L519	E337-F508 HydrophobicContact CB-CD1 3.8Å; E337-F508 HydrophobicContact CB-CE1 3.84Å; E337-F508 HydrophobicContact CB-CG 4.25Å; E337-F508 HydrophobicContact CB-CZ 4.27Å; E337-F508 HydrophobicContact CG-CD1 3.7Å; E337-F508 HydrophobicContact CG-CE1 3.58Å; E337-F508 HydrophobicContact CG-CZ 4.38Å; E337-F508 WeakPolarHBondContact OE2-CD1 3.43Å; K340-F508 HydrophobicContact CB-CE2 3.81Å; K340-F508 HydrophobicContact CB-CZ 3.67Å; K340-F508 HydrophobicContact CD-CE1 4.42Å; K340-F508 HydrophobicContact CD-CZ 3.74Å; K340-F508 HydrophobicContact CG-CZ 4.37Å; A341-F508 HydrophobicContact CB-CD2 4.18Å; A341-F508 HydrophobicContact CB-CE2 4.3Å; V470-F508 HydrophobicContact CG1-CB 4.02Å; V470-F508 HydrophobicContact CG1-CD2 4.33Å; G471-F508 WeakPolarHBondContact O-CB 3.11Å; G471-F508 PolarHBondContact O-N 3.14Å; V472-F508 HydrophobicContact CG1-CB 4.28Å; V506-F508 PolarHBondContact O-N 2.77Å; F508-D510 PolarHBondContact O-N 3.27Å; F508-D510 VanDerWaalsContact O-N 3.09Å; F508-F511 PolarHBondContact O-N 3.08Å; F508-K512 HydrophobicContact CD1-CG 4.37Å; F508-K512 HydrophobicContact CE1-CG 4.33Å; F508-L519 HydrophobicContact CD2-CD1 4.28Å; F508-L519 HydrophobicContact CD2-CD2 3.64Å; F508-L519 HydrophobicContact CE2-CD2 3.47Å; F508-L519 VanDerWaalsContact CE2-CD2 3.47Å
509	R	91.6	Very high	89.1	Confident	82 Å²	82	44.4 Å²	44.4	31%	0.309	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-56.4	-29.9	-176.5	82.6	-175.3	65.4	-171.4	-1.9	113.5	A475 P507 F511	A475-R509 PolarHBondContact O-NH1 2.99Å; A475-R509 PolarHBondContact O-NH2 3.42Å; P507-R509 HydrophobicContact CB-CG 4.39Å; P507-R509 PolarHBondContact O-N 2.91Å; R509-F511 PolarHBondContact O-N 3.26Å
510	D	90	Very high	89.1	Confident	110 Å²	110	41.8 Å²	41.8	59%	0.588	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-73.3	-12.3	-177.9	-63.8	-6.6	0	0	0	111.7	P507 F508	P507-D510 WeakPolarHBondContact CG-OD2 3.47Å; P507-D510 PolarHBondContact O-N 3.13Å; F508-D510 PolarHBondContact O-N 3.27Å; F508-D510 VanDerWaalsContact O-N 3.09Å
511	F	90.4	Very high	88.9	Confident	35 Å²	35	44.8 Å²	44.8	15%	0.154	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-118.3	9.9	-175.3	-57.5	-87.5	0	0	0	113.6	V506 F508 R509 T513 A514 A518 L519 C522	V506-F511 HydrophobicContact CG1-CD2 4.17Å; V506-F511 HydrophobicContact CG1-CE2 3.51Å; V506-F511 HydrophobicContact CG1-CZ 4.28Å; F508-F511 PolarHBondContact O-N 3.08Å; R509-F511 PolarHBondContact O-N 3.26Å; F511-T513 PolarHBondContact O-N 2.98Å; F511-T513 VanDerWaalsContact O-N 3.08Å; F511-A514 HydrophobicContact CB-CB 4.04Å; F511-A514 HydrophobicContact CD1-CB 4.04Å; F511-A514 PolarHBondContact O-N 3.03Å; F511-A518 HydrophobicContact CD1-CB 4.18Å; F511-A518 HydrophobicContact CE1-CB 4.47Å; F511-A518 WeakPolarHBondContact CE1-O 3.38Å; F511-L519 HydrophobicContact CB-CB 4.17Å; F511-L519 HydrophobicContact CB-CD1 4.29Å; F511-L519 HydrophobicContact CD1-CB 4.29Å; F511-L519 HydrophobicContact CD2-CD1 3.75Å; F511-L519 HydrophobicContact CE2-CD1 4.31Å; F511-L519 HydrophobicContact CG-CB 4.13Å; F511-L519 HydrophobicContact CG-CD1 4Å; F511-C522 HydrophobicContact CE1-CB 4.3Å; F511-C522 HydrophobicContact CZ-CB 3.75Å; F511-C522 VanDerWaalsContact CZ-SG 3.52Å
512	K	80.4	Confident	88.8	Confident	90 Å²	90	45.3 Å²	45.3	39%	0.391	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.9	-176.3	-74.5	-176.1	-172	-164.3	0	114	E337 N474 F508	E337-K512 WeakPolarHBondContact OE1-CE 3.28Å; E337-K512 IonicContact OE1-NZ 2.64Å; E337-K512 PolarHBondContact OE1-NZ 3.22Å; N474-K512 PolarHBondContact OD1-NZ 3.41Å; F508-K512 HydrophobicContact CD1-CG 4.37Å; F508-K512 HydrophobicContact CE1-CG 4.33Å
513	T	81.9	Confident	88.6	Confident	147 Å²	147	45.2 Å²	45.2	90%	0.902	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-0.9	177.6	57.8	0	0	0	0	113.2	F511	F511-T513 PolarHBondContact O-N 2.98Å; F511-T513 VanDerWaalsContact O-N 3.08Å
514	A	82.1	Confident	88.4	Confident	43 Å²	43	45.2 Å²	45.2	36%	0.355	26%	0.264	S	S	.	.	S	Bend	trans	-83.7	165.6	-179.2	0	0	0	0	0	111	F511 A518	F511-A514 HydrophobicContact CB-CB 4.04Å; F511-A514 HydrophobicContact CD1-CB 4.04Å; F511-A514 PolarHBondContact O-N 3.03Å; A514-A518 HydrophobicContact CB-CB 3.93Å
515	S	81.8	Confident	88.1	Confident	69 Å²	69	47.1 Å²	47.1	48%	0.483	28%	0.283	S	S	.	.			trans	-69.5	152.4	172.1	63.5	0	0	0	0	110.3	A517 A518 L519	S515-A517 PolarHBondContact O-N 3.08Å; S515-A517 VanDerWaalsContact O-N 3.16Å; S515-A518 WeakPolarHBondContact O-CB 3.29Å; S515-A518 PolarHBondContact O-N 2.84Å; S515-A518 PolarHBondContact OG-N 2.88Å; S515-L519 PolarHBondContact O-N 2.63Å
516	P	82.1	Confident	88	Confident	90 Å²	90	48.9 Å²	48.9	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-53.4	-34.1	171.9	-27.7	35.6	0	0	0	113.1	A344 A518 L519 A520	A344-P516 HydrophobicContact CB-CB 4.14Å; P516-A518 VanDerWaalsContact C-N 3.31Å; P516-A518 PolarHBondContact O-N 3.39Å; P516-L519 PolarHBondContact O-N 3.24Å; P516-A520 PolarHBondContact O-N 2.99Å
517	A	82.9	Confident	88	Confident	56 Å²	56	48.6 Å²	48.6	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-35.3	175.5	0	0	0	0	0	112.9	S515 K521	S515-A517 PolarHBondContact O-N 3.08Å; S515-A517 VanDerWaalsContact O-N 3.16Å; A517-K521 WeakPolarHBondContact O-CB 3.47Å; A517-K521 PolarHBondContact O-N 3.03Å
518	A	87.1	Confident	88	Confident	32 Å²	32	48.6 Å²	48.6	26%	0.264	29%	0.29	S	S	.	.	H	α-helix	trans	-68.3	-39.4	177.7	0	0	0	0	0	112.1	F511 A514 S515 P516 C522	F511-A518 HydrophobicContact CD1-CB 4.18Å; F511-A518 HydrophobicContact CE1-CB 4.47Å; F511-A518 WeakPolarHBondContact CE1-O 3.38Å; A514-A518 HydrophobicContact CB-CB 3.93Å; S515-A518 WeakPolarHBondContact O-CB 3.29Å; S515-A518 PolarHBondContact O-N 2.84Å; S515-A518 PolarHBondContact OG-N 2.88Å; P516-A518 VanDerWaalsContact C-N 3.31Å; P516-A518 PolarHBondContact O-N 3.39Å; A518-C522 PolarHBondContact O-N 2.85Å
519	L	89.2	Confident	87.8	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-53.2	173.4	173.9	67.2	0	0	0	110.4	A341 A344 V506 F508 F511 S515 P516 K521 C522 V523	A341-L519 HydrophobicContact CB-CD2 4.34Å; A344-L519 HydrophobicContact CB-CD2 4.13Å; V506-L519 HydrophobicContact CG1-CD1 4.1Å; F508-L519 HydrophobicContact CD2-CD1 4.28Å; F508-L519 HydrophobicContact CD2-CD2 3.64Å; F508-L519 HydrophobicContact CE2-CD2 3.47Å; F508-L519 VanDerWaalsContact CE2-CD2 3.47Å; F511-L519 HydrophobicContact CB-CB 4.17Å; F511-L519 HydrophobicContact CB-CD1 4.29Å; F511-L519 HydrophobicContact CD1-CB 4.29Å; F511-L519 HydrophobicContact CD2-CD1 3.75Å; F511-L519 HydrophobicContact CE2-CD1 4.31Å; F511-L519 HydrophobicContact CG-CB 4.13Å; F511-L519 HydrophobicContact CG-CD1 4Å; S515-L519 PolarHBondContact O-N 2.63Å; P516-L519 PolarHBondContact O-N 3.24Å; L519-K521 PolarHBondContact O-N 3.37Å; L519-C522 PolarHBondContact O-N 3.2Å; L519-C522 VanDerWaalsContact O-N 3.17Å; L519-V523 HydrophobicContact CD1-CG2 3.71Å; L519-V523 HydrophobicContact CG-CG2 4.02Å; L519-V523 WeakPolarHBondContact O-CB 3.45Å; L519-V523 WeakPolarHBondContact O-CG2 3.32Å; L519-V523 PolarHBondContact O-N 3.21Å
520	A	89.4	Confident	88	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-39.7	-179.9	0	0	0	0	0	112.5	I348 P516 C522 V523 L524	I348-A520 HydrophobicContact CD1-CB 3.37Å; P516-A520 PolarHBondContact O-N 2.99Å; A520-C522 VanDerWaalsContact C-N 3.35Å; A520-C522 PolarHBondContact O-N 2.81Å; A520-V523 PolarHBondContact O-N 3.31Å; A520-L524 WeakPolarHBondContact O-CB 3.41Å; A520-L524 PolarHBondContact O-N 2.88Å
521	K	88.5	Confident	88.2	Confident	73 Å²	73	41.6 Å²	41.6	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-56.2	-46.3	177	-178.8	157.3	-157.8	148	0	113	E84 E85 A517 L519 A525	E84-K521 HydrophobicContact CG-CB 4Å; E84-K521 HydrophobicContact CG-CD 4.5Å; E84-K521 HydrophobicContact CG-CG 3.75Å; E84-K521 IonicContact OE1-NZ 3.53Å; E85-K521 IonicContact OE1-NZ 3.91Å; E85-K521 PolarHBondContact OE1-NZ 3.33Å; A517-K521 WeakPolarHBondContact O-CB 3.47Å; A517-K521 PolarHBondContact O-N 3.03Å; L519-K521 PolarHBondContact O-N 3.37Å; K521-A525 WeakPolarHBondContact O-CB 3.16Å; K521-A525 PolarHBondContact O-N 2.83Å
522	C	89.4	Confident	88.2	Confident	54 Å²	54	41.3 Å²	41.3	37%	0.365	27%	0.27	S	S	.	.	H	α-helix	trans	-73.4	-41.2	176.9	-68.2	0	0	0	0	111.9	V506 F511 A518 L519 A520 L524 A525	V506-C522 HydrophobicContact CG1-CB 4.47Å; F511-C522 HydrophobicContact CE1-CB 4.3Å; F511-C522 HydrophobicContact CZ-CB 3.75Å; F511-C522 VanDerWaalsContact CZ-SG 3.52Å; A518-C522 PolarHBondContact O-N 2.85Å; L519-C522 PolarHBondContact O-N 3.2Å; L519-C522 VanDerWaalsContact O-N 3.17Å; A520-C522 VanDerWaalsContact C-N 3.35Å; A520-C522 PolarHBondContact O-N 2.81Å; C522-L524 VanDerWaalsContact C-N 3.32Å; C522-L524 PolarHBondContact O-N 2.8Å; C522-A525 PolarHBondContact O-N 2.92Å
523	V	90.4	Very high	88.6	Confident	0 Å²	0	41 Å²	41	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-33.6	-175.9	171.9	0	0	0	0	113.1	V345 I468 V470 V506 L519 A520	V345-V523 HydrophobicContact CG1-CG1 4.44Å; V345-V523 HydrophobicContact CG2-CB 4.26Å; V345-V523 HydrophobicContact CG2-CG1 3.61Å; I468-V523 HydrophobicContact CD1-CG1 4.19Å; I468-V523 HydrophobicContact CG2-CG1 3.32Å; V470-V523 HydrophobicContact CG2-CG1 4.28Å; V470-V523 HydrophobicContact CG2-CG2 3.96Å; V506-V523 HydrophobicContact CB-CG2 3.84Å; V506-V523 HydrophobicContact CG1-CG2 4Å; V506-V523 HydrophobicContact CG2-CB 4.42Å; V506-V523 HydrophobicContact CG2-CG2 3.78Å; L519-V523 HydrophobicContact CD1-CG2 3.71Å; L519-V523 HydrophobicContact CG-CG2 4.02Å; L519-V523 WeakPolarHBondContact O-CB 3.45Å; L519-V523 WeakPolarHBondContact O-CG2 3.32Å; L519-V523 PolarHBondContact O-N 3.21Å; A520-V523 PolarHBondContact O-N 3.31Å
524	L	92.3	Very high	89.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.8	-175.5	-67.8	173	0	0	0	113.6	F83 E84 V345 I348 I468 A520 C522 E526 V527 P528	F83-L524 HydrophobicContact CD1-CB 4.11Å; F83-L524 HydrophobicContact CE1-CB 3.81Å; F83-L524 HydrophobicContact CE1-CD1 4.34Å; F83-L524 HydrophobicContact CE1-CD2 3.96Å; F83-L524 HydrophobicContact CE1-CG 4.25Å; F83-L524 HydrophobicContact CZ-CD2 4.37Å; E84-L524 HydrophobicContact CB-CB 3.81Å; V345-L524 HydrophobicContact CG1-CD1 4.48Å; V345-L524 HydrophobicContact CG1-CD2 4.08Å; V345-L524 HydrophobicContact CG1-CG 4.42Å; I348-L524 HydrophobicContact CB-CD1 3.87Å; I348-L524 HydrophobicContact CD1-CD1 3.74Å; I348-L524 HydrophobicContact CG1-CD1 4.45Å; I348-L524 HydrophobicContact CG2-CD1 3.64Å; I468-L524 HydrophobicContact CD1-CD2 3.76Å; A520-L524 WeakPolarHBondContact O-CB 3.41Å; A520-L524 PolarHBondContact O-N 2.88Å; C522-L524 VanDerWaalsContact C-N 3.32Å; C522-L524 PolarHBondContact O-N 2.8Å; L524-E526 VanDerWaalsContact C-N 3.32Å; L524-E526 PolarHBondContact O-N 3.1Å; L524-V527 HydrophobicContact CD2-CG2 4.19Å; L524-V527 PolarHBondContact O-N 3.37Å; L524-P528 WeakPolarHBondContact O-CD 3.36Å
525	A	87.9	Confident	89.6	Confident	57 Å²	57	32.3 Å²	32.3	47%	0.471	21%	0.212	S	C	.	.	S	Bend	trans	-56.7	-41.9	-170.6	0	0	0	0	0	113.4	K521 C522	K521-A525 WeakPolarHBondContact O-CB 3.16Å; K521-A525 PolarHBondContact O-N 2.83Å; C522-A525 PolarHBondContact O-N 2.92Å
526	E	90.3	Very high	89.8	Confident	46 Å²	46	31.9 Å²	31.9	22%	0.215	21%	0.209	C	C	.	.	S	Bend	trans	-88.8	-18.8	-173.6	-71	178	-155.9	0	0	114.4	Q504 L524 G529 Q530	Q504-E526 VanDerWaalsContact CD-OE1 3.28Å; Q504-E526 PolarHBondContact NE2-OE1 2.68Å; Q504-E526 PolarHBondContact OE1-OE1 2.85Å; L524-E526 VanDerWaalsContact C-N 3.32Å; L524-E526 PolarHBondContact O-N 3.1Å; E526-G529 WeakPolarHBondContact O-CA 3.46Å; E526-G529 PolarHBondContact O-N 3Å; E526-Q530 HydrophobicContact CB-CG 4.34Å; E526-Q530 WeakPolarHBondContact O-CG 3.31Å; E526-Q530 PolarHBondContact O-N 2.96Å; E526-Q530 PolarHBondContact OE2-NE2 2.74Å
527	V	93.9	Very high	89.9	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-53.9	-46.3	-173.5	172.7	0	0	0	0	112.4	F83 I438 I468 L524 G529 Q530 V531	F83-V527 HydrophobicContact CD1-CB 4.43Å; F83-V527 HydrophobicContact CE1-CB 3.71Å; F83-V527 HydrophobicContact CE1-CG1 3.73Å; F83-V527 HydrophobicContact CE1-CG2 4.39Å; F83-V527 HydrophobicContact CZ-CB 4.4Å; F83-V527 HydrophobicContact CZ-CG1 3.91Å; I438-V527 HydrophobicContact CD1-CG1 3.68Å; I438-V527 HydrophobicContact CD1-CG2 4.38Å; I438-V527 HydrophobicContact CG1-CG1 4.25Å; I468-V527 HydrophobicContact CD1-CG2 4Å; L524-V527 HydrophobicContact CD2-CG2 4.19Å; L524-V527 PolarHBondContact O-N 3.37Å; V527-G529 VanDerWaalsContact C-N 3.28Å; V527-G529 PolarHBondContact O-N 3.3Å; V527-Q530 PolarHBondContact O-N 3.49Å; V527-V531 HydrophobicContact CG1-CG2 4.28Å; V527-V531 VanDerWaalsContact O-CG2 3.28Å; V527-V531 WeakPolarHBondContact O-CG2 3.32Å; V527-V531 PolarHBondContact O-N 3.24Å
528	P	92.9	Very high	90.1	Very high	24 Å²	24	34.6 Å²	34.6	16%	0.156	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-41	176.8	-27.4	37.4	0	0	0	113.3	F83 F296 L524 V532	F83-P528 HydrophobicContact CB-CG 3.74Å; F83-P528 HydrophobicContact CD1-CG 3.59Å; F83-P528 HydrophobicContact CE1-CG 4.44Å; F83-P528 HydrophobicContact CG-CG 3.81Å; F296-P528 HydrophobicContact CB-CB 3.83Å; F296-P528 HydrophobicContact CD1-CB 4.1Å; F296-P528 HydrophobicContact CD1-CG 4.38Å; F296-P528 HydrophobicContact CD2-CB 4.04Å; F296-P528 HydrophobicContact CG-CB 3.73Å; F296-P528 HydrophobicContact CG-CG 4.42Å; L524-P528 WeakPolarHBondContact O-CD 3.36Å; P528-V532 WeakPolarHBondContact O-CG2 3.32Å; P528-V532 PolarHBondContact O-N 2.68Å
529	G	90.4	Very high	90	Very high	44 Å²	44	37.4 Å²	37.4	45%	0.454	23%	0.225	S	C	.	.	H	α-helix	trans	-66.1	-47.5	177.4	0	0	0	0	0	111.9	E526 V527 V531 V532 E533	E526-G529 WeakPolarHBondContact O-CA 3.46Å; E526-G529 PolarHBondContact O-N 3Å; V527-G529 VanDerWaalsContact C-N 3.28Å; V527-G529 PolarHBondContact O-N 3.3Å; G529-V531 VanDerWaalsContact C-N 3.3Å; G529-V531 PolarHBondContact O-N 3.42Å; G529-V532 PolarHBondContact O-N 3.42Å; G529-E533 WeakPolarHBondContact O-CB 3.39Å; G529-E533 PolarHBondContact O-N 2.97Å
530	Q	93.9	Very high	89.9	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-36.4	179.8	-65.5	176	0.9	0	0	112.2	S466 R500 E526 V527 Y534	S466-Q530 PolarHBondContact OG-OE1 3.41Å; R500-Q530 PolarHBondContact NH1-O 3.07Å; E526-Q530 HydrophobicContact CB-CG 4.34Å; E526-Q530 WeakPolarHBondContact O-CG 3.31Å; E526-Q530 PolarHBondContact O-N 2.96Å; E526-Q530 PolarHBondContact OE2-NE2 2.74Å; V527-Q530 PolarHBondContact O-N 3.49Å; Q530-Y534 WeakPolarHBondContact O-CB 3.34Å; Q530-Y534 PolarHBondContact O-N 3.19Å
531	V	94.4	Very high	89.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-51.3	173.9	171	0	0	0	0	111.3	F296 Y436 V527 G529 E533 Y534 F535	F296-V531 HydrophobicContact CD2-CB 4.02Å; F296-V531 HydrophobicContact CD2-CG1 3.98Å; F296-V531 HydrophobicContact CD2-CG2 4.32Å; F296-V531 HydrophobicContact CE2-CB 4.3Å; F296-V531 HydrophobicContact CE2-CG1 4.28Å; F296-V531 HydrophobicContact CE2-CG2 4.11Å; Y436-V531 HydrophobicContact CD1-CG2 3.6Å; Y436-V531 HydrophobicContact CD2-CB 4.49Å; Y436-V531 HydrophobicContact CD2-CG1 4.44Å; Y436-V531 HydrophobicContact CD2-CG2 4.01Å; Y436-V531 HydrophobicContact CE1-CG2 3.58Å; Y436-V531 HydrophobicContact CE2-CB 4.4Å; Y436-V531 HydrophobicContact CE2-CG2 3.99Å; Y436-V531 HydrophobicContact CG-CG2 3.82Å; V527-V531 HydrophobicContact CG1-CG2 4.28Å; V527-V531 VanDerWaalsContact O-CG2 3.28Å; V527-V531 WeakPolarHBondContact O-CG2 3.32Å; V527-V531 PolarHBondContact O-N 3.24Å; G529-V531 VanDerWaalsContact C-N 3.3Å; G529-V531 PolarHBondContact O-N 3.42Å; V531-E533 VanDerWaalsContact C-N 3.32Å; V531-E533 PolarHBondContact O-N 3.34Å; V531-Y534 PolarHBondContact O-N 2.82Å; V531-F535 HydrophobicContact CG1-CD2 3.91Å; V531-F535 HydrophobicContact CG1-CE2 3.86Å; V531-F535 WeakPolarHBondContact O-CD2 3.33Å; V531-F535 PolarHBondContact O-N 3.3Å
532	V	91.1	Very high	89.8	Confident	28 Å²	28	38.8 Å²	38.8	17%	0.17	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-42.6	-179.8	171.7	0	0	0	0	110.5	Y294 F296 Y299 P528 G529 S536	Y294-V532 WeakPolarHBondContact O-CG1 3.38Å; F296-V532 HydrophobicContact CB-CG2 4.11Å; Y299-V532 HydrophobicContact CD2-CG2 4.36Å; Y299-V532 HydrophobicContact CE2-CG2 4.35Å; P528-V532 WeakPolarHBondContact O-CG2 3.32Å; P528-V532 PolarHBondContact O-N 2.68Å; G529-V532 PolarHBondContact O-N 3.42Å; V532-S536 WeakPolarHBondContact O-CB 3.33Å; V532-S536 PolarHBondContact O-N 3.22Å; V532-S536 PolarHBondContact O-OG 2.95Å
533	E	89.9	Confident	89.7	Confident	85 Å²	85	38.6 Å²	38.6	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-60.5	-47.4	178.1	-173.9	179.2	-169.3	0	0	111.5	R500 G529 V531 S536 H537	R500-E533 HydrophobicContact CB-CG 4.28Å; R500-E533 WeakPolarHBondContact CB-OE1 3.36Å; G529-E533 WeakPolarHBondContact O-CB 3.39Å; G529-E533 PolarHBondContact O-N 2.97Å; V531-E533 VanDerWaalsContact C-N 3.32Å; V531-E533 PolarHBondContact O-N 3.34Å; E533-S536 PolarHBondContact O-N 3.16Å; E533-H537 VanDerWaalsContact O-CB 3.26Å; E533-H537 WeakPolarHBondContact O-CB 3.48Å; E533-H537 PolarHBondContact O-N 2.94Å
534	Y	92.9	Very high	88.7	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-55.2	178.8	173	-97.4	0	0	0	112.1	I430 Y436 Q463 P464 Q530 V531 S536 H537 K538	I430-Y534 WeakPolarHBondContact CD1-OH 3.28Å; Y436-Y534 HydrophobicContact CD2-CD1 4.35Å; Y436-Y534 HydrophobicContact CE2-CD1 4.23Å; Y436-Y534 HydrophobicContact CE2-CG 4.14Å; Q463-Y534 WeakPolarHBondContact O-CD2 3.35Å; Q463-Y534 WeakPolarHBondContact O-CE2 3.07Å; P464-Y534 HydrophobicContact CB-CD1 3.95Å; P464-Y534 HydrophobicContact CB-CE1 3.51Å; P464-Y534 HydrophobicContact CB-CE2 4.3Å; P464-Y534 HydrophobicContact CG-CE1 4.41Å; Q530-Y534 WeakPolarHBondContact O-CB 3.34Å; Q530-Y534 PolarHBondContact O-N 3.19Å; V531-Y534 PolarHBondContact O-N 2.82Å; Y534-S536 VanDerWaalsContact C-N 3.34Å; Y534-S536 PolarHBondContact O-N 3.37Å; Y534-H537 PolarHBondContact O-N 3.02Å; Y534-K538 HydrophobicContact CE1-CG 4.29Å; Y534-K538 HydrophobicContact CE2-CG 4.02Å; Y534-K538 WeakPolarHBondContact O-CG 3.47Å; Y534-K538 PolarHBondContact O-N 3.39Å; Y534-K538 VanDerWaalsContact O-N 3.08Å
535	F	91.6	Very high	86.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.6	-35.8	-176.5	-71.7	-56.6	0	0	0	111.9	Y299 A433 Y436 V531 K538 A539 I540	Y299-F535 HydrophobicContact CD1-CB 4.37Å; Y299-F535 AromaticContact CD1-CD2 3.63Å; Y299-F535 HydrophobicContact CD1-CD2 3.63Å; Y299-F535 HydrophobicContact CD1-CE2 4.1Å; Y299-F535 HydrophobicContact CD1-CG 4.09Å; Y299-F535 HydrophobicContact CD2-CD2 4.27Å; Y299-F535 HydrophobicContact CE1-CB 3.48Å; Y299-F535 VanDerWaalsContact CE1-CB 3.48Å; Y299-F535 HydrophobicContact CE1-CD1 4.46Å; Y299-F535 AromaticContact CE1-CD2 3.63Å; Y299-F535 HydrophobicContact CE1-CD2 3.63Å; Y299-F535 HydrophobicContact CE1-CE2 4.47Å; Y299-F535 AromaticContact CE1-CG 3.63Å; Y299-F535 HydrophobicContact CE1-CG 3.63Å; Y299-F535 HydrophobicContact CE2-CB 4.12Å; Y299-F535 HydrophobicContact CE2-CD2 4.28Å; Y299-F535 AromaticContact CG-CD2 3.98Å; Y299-F535 HydrophobicContact CG-CD2 3.98Å; Y299-F535 HydrophobicContact CG-CE2 4.41Å; Y299-F535 AromaticContact CZ-CD2 3.98Å; Y299-F535 AromaticContact CZ-CG 3.96Å; Y299-F535 VanDerWaalsContact OH-CB 3.22Å; Y299-F535 WeakPolarHBondContact OH-CB 3.11Å; A433-F535 HydrophobicContact CB-CD1 3.86Å; A433-F535 HydrophobicContact CB-CD2 4.27Å; A433-F535 HydrophobicContact CB-CE1 3.59Å; A433-F535 HydrophobicContact CB-CE2 4.01Å; A433-F535 HydrophobicContact CB-CG 4.21Å; A433-F535 HydrophobicContact CB-CZ 3.67Å; Y436-F535 HydrophobicContact CD2-CE2 4.23Å; Y436-F535 HydrophobicContact CD2-CZ 4.38Å; V531-F535 HydrophobicContact CG1-CD2 3.91Å; V531-F535 HydrophobicContact CG1-CE2 3.86Å; V531-F535 WeakPolarHBondContact O-CD2 3.33Å; V531-F535 PolarHBondContact O-N 3.3Å; F535-K538 CarbonylContact O-C 3.55Å; F535-K538 PolarHBondContact O-N 3.43Å; F535-A539 PolarHBondContact O-N 2.97Å; F535-I540 HydrophobicContact CB-CB 4.42Å; F535-I540 HydrophobicContact CD1-CB 3.98Å; F535-I540 HydrophobicContact CD1-CD1 4.26Å; F535-I540 HydrophobicContact CD1-CG2 3.95Å; F535-I540 HydrophobicContact CE1-CG2 4.5Å; F535-I540 PolarHBondContact O-N 3.03Å
536	S	85.1	Confident	84.7	Confident	60 Å²	60	52.4 Å²	52.4	42%	0.42	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-45.5	174.3	-62.5	0	0	0	0	111.7	V532 E533 Y534 K538 A539	V532-S536 WeakPolarHBondContact O-CB 3.33Å; V532-S536 PolarHBondContact O-N 3.22Å; V532-S536 PolarHBondContact O-OG 2.95Å; E533-S536 PolarHBondContact O-N 3.16Å; Y534-S536 VanDerWaalsContact C-N 3.34Å; Y534-S536 PolarHBondContact O-N 3.37Å; S536-K538 VanDerWaalsContact C-N 3.27Å; S536-K538 PolarHBondContact O-N 2.88Å; S536-A539 PolarHBondContact O-N 2.95Å
537	H	84.8	Confident	82.1	Confident	116 Å²	116	61.2 Å²	61.2	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-32.9	178	-174.1	-80.3	0	0	0	112.2	E533 Y534 A539	E533-H537 VanDerWaalsContact O-CB 3.26Å; E533-H537 WeakPolarHBondContact O-CB 3.48Å; E533-H537 PolarHBondContact O-N 2.94Å; Y534-H537 PolarHBondContact O-N 3.02Å; H537-A539 VanDerWaalsContact C-N 3.3Å
538	K	86.8	Confident	79.2	Confident	87 Å²	87	67.7 Å²	67.7	38%	0.378	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2	174.3	-63.1	-68.6	-174.3	174	0	113.8	Y462 Y534 F535 S536 I540	Y462-K538 WeakPolarHBondContact O-CE 3.39Å; Y462-K538 PolarHBondContact O-NZ 3.41Å; Y534-K538 HydrophobicContact CE1-CG 4.29Å; Y534-K538 HydrophobicContact CE2-CG 4.02Å; Y534-K538 WeakPolarHBondContact O-CG 3.47Å; Y534-K538 PolarHBondContact O-N 3.39Å; Y534-K538 VanDerWaalsContact O-N 3.08Å; F535-K538 CarbonylContact O-C 3.55Å; F535-K538 PolarHBondContact O-N 3.43Å; S536-K538 VanDerWaalsContact C-N 3.27Å; S536-K538 PolarHBondContact O-N 2.88Å; K538-I540 HydrophobicContact CB-CD1 3.67Å; K538-I540 HydrophobicContact CB-CG1 3.76Å; K538-I540 HydrophobicContact CG-CD1 4.42Å; K538-I540 PolarHBondContact O-N 3.17Å
539	A	85.2	Confident	76.2	Confident	90 Å²	90	74.3 Å²	74.3	74%	0.744	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	37	-172.2	0	0	0	0	0	113.5	F535 S536 H537	F535-A539 PolarHBondContact O-N 2.97Å; S536-A539 PolarHBondContact O-N 2.95Å; H537-A539 VanDerWaalsContact C-N 3.3Å
540	I	88	Confident	73.3	Confident	24 Å²	24	80 Å²	80	12%	0.123	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-97.3	117.5	177.9	-61.6	174	0	0	0	108.6	Y299 I430 A433 F535 K538	Y299-I540 PolarHBondContact OH-O 3Å; I430-I540 HydrophobicContact CG2-CD1 4.01Å; A433-I540 HydrophobicContact CB-CG2 3.92Å; F535-I540 HydrophobicContact CB-CB 4.42Å; F535-I540 HydrophobicContact CD1-CB 3.98Å; F535-I540 HydrophobicContact CD1-CD1 4.26Å; F535-I540 HydrophobicContact CD1-CG2 3.95Å; F535-I540 HydrophobicContact CE1-CG2 4.5Å; F535-I540 PolarHBondContact O-N 3.03Å; K538-I540 HydrophobicContact CB-CD1 3.67Å; K538-I540 HydrophobicContact CB-CG1 3.76Å; K538-I540 HydrophobicContact CG-CD1 4.42Å; K538-I540 PolarHBondContact O-N 3.17Å
541	S	87.4	Confident	70.2	Confident	62 Å²	62	85.6 Å²	85.6	43%	0.434	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-77.4	153.5	173.3	-63.5	0	0	0	0	111.6	Y294	Y294-S541 WeakPolarHBondContact OH-CB 3.24Å; Y294-S541 PolarHBondContact OH-OG 3.21Å
542	P	87.5	Confident	67.2	Low	21 Å²	21	91 Å²	91	14%	0.136	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-51.4	143.3	165.4	-24	31.5	0	0	0	111.5	Y294 D298 Y299	Y294-P542 HydrophobicContact CD1-CG 3.41Å; Y294-P542 VanDerWaalsContact CD1-CG 3.41Å; Y294-P542 HydrophobicContact CD2-CG 4.13Å; Y294-P542 VanDerWaalsContact CE1-CD 3.49Å; Y294-P542 HydrophobicContact CE1-CG 3.9Å; Y294-P542 HydrophobicContact CG-CG 3.51Å; D298-P542 HydrophobicContact CB-CB 4.37Å; D298-P542 HydrophobicContact CB-CG 3.76Å; D298-P542 WeakPolarHBondContact O-CB 3.19Å; Y299-P542 HydrophobicContact CD1-CB 4Å; Y299-P542 HydrophobicContact CD1-CG 3.7Å; Y299-P542 HydrophobicContact CD2-CG 4.36Å; Y299-P542 HydrophobicContact CE1-CB 4.29Å; Y299-P542 HydrophobicContact CE1-CG 3.66Å; Y299-P542 HydrophobicContact CE2-CG 4.31Å; Y299-P542 HydrophobicContact CG-CG 4.06Å
543	M	87.8	Confident	64.5	Low	50 Å²	50	97.2 Å²	97.2	25%	0.246	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-65	140.4	176.3	-64.1	-178.1	-61.7	0	0	109.6	G302 G303 D432 A433 S434	G302-M543 VanDerWaalsContact CA-O 3.28Å; G302-M543 WeakPolarHBondContact CA-O 3.39Å; G302-M543 WeakPolarHBondContact O-CB 3.26Å; G303-M543 VanDerWaalsContact O-CE 3.31Å; G303-M543 WeakPolarHBondContact O-CE 3.27Å; D432-M543 HydrophobicContact CB-CG 4.01Å; D432-M543 HydrophobicContact CB-SD 3.98Å; A433-M543 WeakPolarHBondContact O-CE 3.4Å; S434-M543 VanDerWaalsContact CA-CE 3.49Å
544	S	68.8	Low	61.9	Low	108 Å²	108	101 Å²	101	76%	0.755	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-66.3	137	171	-70.4	0	0	0	0	108.6	M546	S544-M546 PolarHBondContact O-N 3.08Å
545	P	54.3	Low	59	Low	65 Å²	65	105.5 Å²	105.5	42%	0.422	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-53	123.8	171.2	-15.3	24.7	0	0	0	107.1	K124 R547	K124-P545 HydrophobicContact CD-CB 4.46Å; K124-P545 HydrophobicContact CD-CG 4.43Å; P545-R547 PolarHBondContact O-N 3.44Å
546	M	42.5	Very low	56.3	Low	174 Å²	174	111.4 Å²	111.4	86%	0.857	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-46.5	116.2	175.1	-122.2	179	72.6	0	0	106.6	S544 E548	S544-M546 PolarHBondContact O-N 3.08Å; M546-E548 VanDerWaalsContact C-N 3.27Å; M546-E548 PolarHBondContact O-N 3Å
547	R	35.5	Very low	53.9	Low	232 Å²	232	114.7 Å²	114.7	88%	0.875	64%	0.635	S	S	*	*			trans	-57.6	104.7	166	-80.7	-179.8	176.8	172.7	-0.7	103.9	P545 L549	P545-R547 PolarHBondContact O-N 3.44Å; R547-L549 VanDerWaalsContact C-N 3.28Å; R547-L549 PolarHBondContact O-N 3.3Å
548	E	33.4	Very low	51.5	Low	138 Å²	138	113.5 Å²	113.5	65%	0.645	65%	0.645	S	S	*	*			trans	-48.4	106.6	164.4	-83	178.5	178.3	0	0	104	K125 M546 L550	K125-E548 IonicContact NZ-OE1 2.74Å; K125-E548 PolarHBondContact NZ-OE1 3.3Å; K125-E548 IonicContact NZ-OE2 3.12Å; K125-E548 PolarHBondContact NZ-OE2 3.26Å; M546-E548 VanDerWaalsContact C-N 3.27Å; M546-E548 PolarHBondContact O-N 3Å; E548-L550 VanDerWaalsContact C-N 3.29Å; E548-L550 PolarHBondContact O-N 3.45Å
549	L	28.8	Very low	49.1	Very low	163 Å²	163	115.5 Å²	115.5	85%	0.853	67%	0.665	S	S	*	*			trans	-56.9	105.1	171.8	-83.4	154.8	0	0	0	104	R547 T551	R547-L549 VanDerWaalsContact C-N 3.28Å; R547-L549 PolarHBondContact O-N 3.3Å; L549-T551 PolarHBondContact O-N 2.92Å
550	L	30.6	Very low	46.7	Very low	163 Å²	163	117 Å²	117	85%	0.853	67%	0.665	S	S	*	*			trans	-54.8	99.2	168.3	-74.6	162.9	0	0	0	105.3	E548 P552	E548-L550 VanDerWaalsContact C-N 3.29Å; E548-L550 PolarHBondContact O-N 3.45Å; L550-P552 VanDerWaalsContact O-CD 3.31Å; L550-P552 WeakPolarHBondContact O-CD 3.42Å
551	T	28.6	Very low	44.4	Very low	123 Å²	123	122 Å²	122	76%	0.755	70%	0.698	S	S	*	*			trans	-57.9	120.2	165.4	26.6	0	0	0	0	105.4	L549 I553	L549-T551 PolarHBondContact O-N 2.92Å; T551-I553 PolarHBondContact O-N 2.89Å; T551-I553 VanDerWaalsContact O-N 3.08Å
552	P	31.1	Very low	42.4	Very low	115 Å²	115	125.6 Å²	125.6	75%	0.747	72%	0.718	S	S	*	*			trans	-58.4	123.2	175.7	-18.3	30	0	0	0	107.1	L550 L554	L550-P552 VanDerWaalsContact O-CD 3.31Å; L550-P552 WeakPolarHBondContact O-CD 3.42Å; P552-L554 PolarHBondContact O-N 3.3Å
553	I	35.2	Very low	40.1	Very low	159 Å²	159	137.4 Å²	137.4	82%	0.815	77%	0.772	S	S	*	*			trans	-57.4	107.4	167.8	-60.8	171	0	0	0	105.2	T551 S555	T551-I553 PolarHBondContact O-N 2.89Å; T551-I553 VanDerWaalsContact O-N 3.08Å; I553-S555 PolarHBondContact O-N 2.82Å
554	L	33.8	Very low	37.7	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	80%	0.798	S	S	*	*			trans	-59.5	112.7	170.1	-81.8	161.8	0	0	0	106.8	P552	P552-L554 PolarHBondContact O-N 3.3Å
555	S	31.6	Very low	36.1	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-52.1	135.1	170.8	-47.6	0	0	0	0	109.1	I553 V557	I553-S555 PolarHBondContact O-N 2.82Å; S555-V557 PolarHBondContact O-N 2.73Å
556	P	35	Very low	35	Very low	124 Å²	124	147.9 Å²	147.9	81%	0.805	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.6	176.2	23.3	-30.2	0	0	0	109.4	A558	P556-A558 PolarHBondContact O-N 3.09Å
557	V	34.5	Very low	34.6	Very low	128 Å²	128	146.4 Å²	146.4	78%	0.776	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59.9	118.2	172.7	172.9	0	0	0	0	107.9	S555 T559	S555-V557 PolarHBondContact O-N 2.73Å; V557-T559 PolarHBondContact O-N 3.22Å; V557-T559 VanDerWaalsContact O-N 3.09Å
558	A	34.5	Very low	34.5	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	82%	0.816	S	S	*	*			trans	-64.1	107.8	169.5	0	0	0	0	0	108.6	P556 T560	P556-A558 PolarHBondContact O-N 3.09Å; A558-T560 PolarHBondContact O-N 2.83Å
559	T	36.9	Very low	34.6	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	83%	0.827	S	S	*	*			trans	-71.9	105.6	165.6	44.2	0	0	0	0	108.4	V557	V557-T559 PolarHBondContact O-N 3.22Å; V557-T559 VanDerWaalsContact O-N 3.09Å
560	T	35.9	Very low	35	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.8	133.1	161.4	34.7	0	0	0	0	109.6	A558	A558-T560 PolarHBondContact O-N 2.83Å
561	P	39.9	Very low	35.4	Very low	127 Å²	127	137.9 Å²	137.9	83%	0.825	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.3	124.2	172.6	30.5	-28.6	0	0	0	109.1
562	T	44.1	Very low	35.9	Very low	139 Å²	139	139.2 Å²	139.2	85%	0.853	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.6	140.5	162.1	39.9	0	0	0	0	109.6
563	E	38.9	Very low	36.4	Very low	269 Å²	269	141.4 Å²	141.4	100%	1.257	84%	0.836	S	S	*	*			trans	-46.7	0	-179.8	-64.5	177.7	147.1	0	0	116.2

Retrieved 563 of 563 residues in 1182.3 ms (Link to these results)

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