A0A096N8L0_PAPAN Loading...

Transmembrane protease serine

Serine protease which possesses both gelatinolytic and caseinolytic activities. Shows a preference for Arg in the P1 position.

AlphaFold DB (A0A2I3M402), UniProt , Accession A0A096N8L0, Species PAPAN (Papio anubis, Olive baboon), Gene TMPRSS11E, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	51	Low	255 Å²	255	187.3 Å²	187.3	100%	1.256	89%	0.891	S	S	*	*				0	99.5	0	-114.1	173.5	173.6	0	0	107.6
2	Y	40.4	Very low	51.8	Low	236 Å²	236	192 Å²	192	93%	0.925	89%	0.894	S	S	*	*			trans	-120.4	118.8	177.7	-143.4	-93.9	0	0	0	106.2
3	R	45.3	Very low	52.7	Low	241 Å²	241	186.2 Å²	186.2	91%	0.909	88%	0.879	S	S	*	*			trans	-104.3	120.2	-178	-145.8	-176.3	-164.8	-175	4.4	106.9
4	P	53.7	Low	53.7	Low	113 Å²	113	181.9 Å²	181.9	73%	0.734	88%	0.877	S	S	*	*			trans	-82.4	147.1	-178.9	30.3	-29.9	0	0	0	111.7
5	D	49.8	Very low	55.1	Low	164 Å²	164	179.3 Å²	179.3	88%	0.877	86%	0.855	S	S	*	*			trans	-65.5	137.3	175.1	-80.8	-47	0	0	0	112.6
6	V	56.2	Low	56.9	Low	139 Å²	139	175.6 Å²	175.6	84%	0.842	84%	0.837	S	S	*	*			trans	-85.4	111.6	175.9	178.2	0	0	0	0	109.6	R8	V6-R8 PolarHBondContact O-N 2.98Å
7	V	56.3	Low	58.5	Low	135 Å²	135	171.9 Å²	171.9	82%	0.818	83%	0.831	S	S	*	*			trans	-67.7	119.7	170.4	177.7	0	0	0	0	109.9	A9	V7-A9 PolarHBondContact O-N 2.9Å
8	R	52.7	Low	60.1	Low	240 Å²	240	171.6 Å²	171.6	91%	0.906	82%	0.819	S	S	*	*			trans	-80.6	103.6	176.4	-165.6	-177.7	-87.9	-176.8	-5.4	110	V6	V6-R8 PolarHBondContact O-N 2.98Å
9	A	54.5	Low	61.5	Low	88 Å²	88	164.3 Å²	164.3	73%	0.727	79%	0.787	S	S	*	*			trans	-66.9	128.5	175.3	0	0	0	0	0	111.9	V7 K11	V7-A9 PolarHBondContact O-N 2.9Å; A9-K11 PolarHBondContact O-N 3.04Å
10	R	56.7	Low	62.7	Low	247 Å²	247	160.2 Å²	160.2	93%	0.932	77%	0.769	S	S	*	*			trans	-66	114.5	168.6	-94.2	179.1	172.3	170.5	-2.3	109.2	R12	R10-R12 PolarHBondContact O-N 3.36Å
11	K	53.9	Low	63.9	Low	202 Å²	202	154.5 Å²	154.5	88%	0.878	75%	0.752	S	S	*	*			trans	-59	117.2	168	-85.5	-178.4	173.5	-179.3	0	109.2	A9 V13	A9-K11 PolarHBondContact O-N 3.04Å; K11-V13 PolarHBondContact O-N 3.11Å
12	R	60.3	Low	66.3	Low	244 Å²	244	146.6 Å²	146.6	92%	0.921	71%	0.714	S	S	*	*			trans	-73.5	116.6	163.2	-71.3	-172.9	-166.3	-168.2	4.3	107.5	R10 C14	R10-R12 PolarHBondContact O-N 3.36Å; R12-C14 PolarHBondContact O-N 3.46Å
13	V	63.7	Low	68.6	Low	116 Å²	116	138.5 Å²	138.5	70%	0.703	69%	0.689	S	S	*	*			trans	-72.9	110.2	171.5	-179	0	0	0	0	106.8	K11	K11-V13 PolarHBondContact O-N 3.11Å
14	C	66.1	Low	70.8	Confident	126 Å²	126	131.5 Å²	131.5	85%	0.851	67%	0.669	S	S	*	*			trans	-86.6	114	173.1	-153	0	0	0	0	107.3	R12	R12-C14 PolarHBondContact O-N 3.46Å
15	W	75.7	Confident	72.8	Confident	143 Å²	143	133.4 Å²	133.4	54%	0.542	66%	0.662	S	S	.	*			trans	-79.1	135.7	179.9	-71.8	49.5	0	0	0	108.8	V19 I20 V23	W15-V19 HydrophobicContact CD2-CG1 4.48Å; W15-V19 HydrophobicContact CE3-CB 4.09Å; W15-V19 HydrophobicContact CE3-CG1 3.37Å; W15-V19 HydrophobicContact CZ3-CG1 3.59Å; W15-I20 HydrophobicContact CB-CD1 4.23Å; W15-I20 HydrophobicContact CB-CG1 3.93Å; W15-V23 HydrophobicContact CZ3-CG2 3.97Å
16	E	83.6	Confident	74.9	Confident	121 Å²	121	129.7 Å²	129.7	57%	0.565	64%	0.641	S	S	*	*			trans	-64.5	143.7	175.1	-62.9	-161.9	162.5	0	0	110.5	W18 V19 I20	E16-W18 PolarHBondContact O-N 3.48Å; E16-W18 VanDerWaalsContact O-N 3.08Å; E16-W18 PolarHBondContact OE2-NE1 3.2Å; E16-V19 HydrophobicContact CB-CG2 4.21Å; E16-V19 WeakPolarHBondContact O-CB 3.29Å; E16-V19 PolarHBondContact O-N 3.27Å; E16-I20 PolarHBondContact O-N 2.95Å
17	P	83.6	Confident	76.7	Confident	113 Å²	113	126.2 Å²	126.2	73%	0.734	62%	0.624	S	S	*	*	H	α-helix	trans	-54.2	-33.3	-173.5	-28.6	34.8	0	0	0	114.9	V19 I20 G21	P17-V19 VanDerWaalsContact C-N 3.35Å; P17-I20 PolarHBondContact O-N 3.48Å; P17-G21 PolarHBondContact O-N 3.38Å
18	W	87.4	Confident	78.5	Confident	166 Å²	166	124.8 Å²	124.8	63%	0.629	61%	0.611	S	S	*	*	H	α-helix	trans	-69.5	-31.3	178.3	69.2	-93.2	0	0	0	112.6	E16 G21 L22	E16-W18 PolarHBondContact O-N 3.48Å; E16-W18 VanDerWaalsContact O-N 3.08Å; E16-W18 PolarHBondContact OE2-NE1 3.2Å; W18-G21 PolarHBondContact O-N 3.28Å; W18-L22 WeakPolarHBondContact O-CB 3.39Å; W18-L22 PolarHBondContact O-N 2.86Å
19	V	86.1	Confident	80.6	Confident	33 Å²	33	117 Å²	117	20%	0.2	59%	0.586	C	S	.	*	H	α-helix	trans	-69.9	-40.1	177	-169.4	0	0	0	0	109.9	W15 E16 P17 G21 L22 V23	W15-V19 HydrophobicContact CD2-CG1 4.48Å; W15-V19 HydrophobicContact CE3-CB 4.09Å; W15-V19 HydrophobicContact CE3-CG1 3.37Å; W15-V19 HydrophobicContact CZ3-CG1 3.59Å; E16-V19 HydrophobicContact CB-CG2 4.21Å; E16-V19 WeakPolarHBondContact O-CB 3.29Å; E16-V19 PolarHBondContact O-N 3.27Å; P17-V19 VanDerWaalsContact C-N 3.35Å; V19-G21 VanDerWaalsContact C-N 3.34Å; V19-L22 PolarHBondContact O-N 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 3.45Å
20	I	85.5	Confident	82.5	Confident	82 Å²	82	116.7 Å²	116.7	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-61.4	-45.8	173.8	-60.4	172.6	0	0	0	109.9	W15 E16 P17 L22 V23 I24	W15-I20 HydrophobicContact CB-CD1 4.23Å; W15-I20 HydrophobicContact CB-CG1 3.93Å; E16-I20 PolarHBondContact O-N 2.95Å; P17-I20 PolarHBondContact O-N 3.48Å; I20-L22 PolarHBondContact O-N 3.01Å; I20-V23 PolarHBondContact O-N 3.02Å; I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.63Å
21	G	88.5	Confident	84.3	Confident	40 Å²	40	109.6 Å²	109.6	41%	0.412	56%	0.555	S	S	.	*	H	α-helix	trans	-58.9	-44.8	176	0	0	0	0	0	113.2	P17 W18 V19 I24 Y25	P17-G21 PolarHBondContact O-N 3.38Å; W18-G21 PolarHBondContact O-N 3.28Å; V19-G21 VanDerWaalsContact C-N 3.34Å; G21-I24 PolarHBondContact O-N 3.08Å; G21-Y25 WeakPolarHBondContact O-CB 3.45Å; G21-Y25 PolarHBondContact O-N 3.27Å
22	L	92.1	Very high	86.3	Confident	90 Å²	90	103 Å²	103	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-62.9	-45.4	177.5	-169.4	91	0	0	0	112	W18 V19 I20 Y25 I26	W18-L22 WeakPolarHBondContact O-CB 3.39Å; W18-L22 PolarHBondContact O-N 2.86Å; V19-L22 PolarHBondContact O-N 3.21Å; I20-L22 PolarHBondContact O-N 3.01Å; L22-Y25 PolarHBondContact O-N 2.88Å; L22-I26 HydrophobicContact CD2-CD1 4.11Å; L22-I26 HydrophobicContact CG-CD1 3.96Å; L22-I26 WeakPolarHBondContact O-CG1 3.38Å; L22-I26 PolarHBondContact O-N 3.46Å
23	V	89.7	Confident	88	Confident	65 Å²	65	95.1 Å²	95.1	39%	0.394	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-42.1	179.2	170.7	0	0	0	0	111.2	W15 V19 I20 S27	W15-V23 HydrophobicContact CZ3-CG2 3.97Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 3.45Å; I20-V23 PolarHBondContact O-N 3.02Å; V23-S27 VanDerWaalsContact O-CB 3.27Å; V23-S27 WeakPolarHBondContact O-CB 3.13Å; V23-S27 PolarHBondContact O-N 3.45Å; V23-S27 PolarHBondContact O-OG 3.18Å
24	I	91.6	Very high	89.4	Confident	94 Å²	94	92.6 Å²	92.6	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176	-68.4	168.7	0	0	0	110.2	I20 G21 S27 L28	I20-I24 HydrophobicContact CG2-CD1 3.83Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.63Å; G21-I24 PolarHBondContact O-N 3.08Å; I24-S27 PolarHBondContact O-N 3.39Å; I24-L28 HydrophobicContact CG2-CD1 4.06Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 WeakPolarHBondContact O-CG 3.27Å; I24-L28 PolarHBondContact O-N 2.96Å
25	Y	94.7	Very high	90.7	Very high	154 Å²	154	91 Å²	91	60%	0.604	49%	0.486	S	S	*	.	H	α-helix	trans	-60.7	-47.6	179.3	-179.4	-104.1	0	0	0	112.4	G21 L22 S27 L28 I29	G21-Y25 WeakPolarHBondContact O-CB 3.45Å; G21-Y25 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 2.88Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.07Å; Y25-L28 PolarHBondContact O-N 3.39Å; Y25-I29 HydrophobicContact CD1-CD1 3.89Å; Y25-I29 HydrophobicContact CE1-CD1 3.34Å; Y25-I29 HydrophobicContact CE1-CG1 4.41Å; Y25-I29 HydrophobicContact CE2-CD1 4.36Å; Y25-I29 PolarHBondContact O-N 3.46Å
26	I	94.3	Very high	91.4	Very high	85 Å²	85	86.1 Å²	86.1	44%	0.436	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176.6	-67	170	0	0	0	110.8	L22 L28 I29 V30	L22-I26 HydrophobicContact CD2-CD1 4.11Å; L22-I26 HydrophobicContact CG-CD1 3.96Å; L22-I26 WeakPolarHBondContact O-CG1 3.38Å; L22-I26 PolarHBondContact O-N 3.46Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 3.18Å; I26-I29 PolarHBondContact O-N 3.47Å; I26-V30 HydrophobicContact CG2-CG2 4.35Å; I26-V30 WeakPolarHBondContact O-CG2 3.31Å; I26-V30 PolarHBondContact O-N 2.93Å
27	S	92.7	Very high	91.7	Very high	67 Å²	67	85.6 Å²	85.6	47%	0.469	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-39.2	178.1	-59.3	0	0	0	0	111.8	V23 I24 Y25 V30 L31	V23-S27 VanDerWaalsContact O-CB 3.27Å; V23-S27 WeakPolarHBondContact O-CB 3.13Å; V23-S27 PolarHBondContact O-N 3.45Å; V23-S27 PolarHBondContact O-OG 3.18Å; I24-S27 PolarHBondContact O-N 3.39Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.07Å; S27-V30 PolarHBondContact O-N 2.87Å; S27-L31 VanDerWaalsContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CB 3.11Å; S27-L31 PolarHBondContact O-N 3.45Å
28	L	95.6	Very high	91.8	Very high	105 Å²	105	84.2 Å²	84.2	55%	0.55	47%	0.47	S	S	.	.	H	α-helix	trans	-66.4	-39.5	175.4	-72	172.5	0	0	0	112.3	I24 Y25 I26 L31 A32	I24-L28 HydrophobicContact CG2-CD1 4.06Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 WeakPolarHBondContact O-CG 3.27Å; I24-L28 PolarHBondContact O-N 2.96Å; Y25-L28 PolarHBondContact O-N 3.39Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 3.18Å; L28-L31 PolarHBondContact O-N 3.22Å; L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 2.93Å
29	I	95.7	Very high	91.6	Very high	76 Å²	76	80.4 Å²	80.4	39%	0.39	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-49.2	174.7	-69.5	173.5	0	0	0	110.6	Y25 I26 L31 A32 V33	Y25-I29 HydrophobicContact CD1-CD1 3.89Å; Y25-I29 HydrophobicContact CE1-CD1 3.34Å; Y25-I29 HydrophobicContact CE1-CG1 4.41Å; Y25-I29 HydrophobicContact CE2-CD1 4.36Å; Y25-I29 PolarHBondContact O-N 3.46Å; I26-I29 PolarHBondContact O-N 3.47Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.94Å; I29-A32 PolarHBondContact O-N 3.29Å; I29-V33 HydrophobicContact CG2-CG2 4.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3.05Å
30	V	95.5	Very high	91.3	Very high	82 Å²	82	84.7 Å²	84.7	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-59.4	-44.7	178.8	172.7	0	0	0	0	110.2	I26 S27 A32 V33 C34	I26-V30 HydrophobicContact CG2-CG2 4.35Å; I26-V30 WeakPolarHBondContact O-CG2 3.31Å; I26-V30 PolarHBondContact O-N 2.93Å; S27-V30 PolarHBondContact O-N 2.87Å; V30-A32 PolarHBondContact O-N 2.91Å; V30-V33 PolarHBondContact O-N 3.31Å; V30-C34 WeakPolarHBondContact O-CB 3.37Å; V30-C34 PolarHBondContact O-N 3.41Å; V30-C34 PolarHBondContact O-SG 3.06Å
31	L	95.1	Very high	91.1	Very high	98 Å²	98	88.3 Å²	88.3	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-45.2	176.3	-175.3	67.6	0	0	0	111.8	S27 L28 I29 V33 C34 I35	S27-L31 VanDerWaalsContact O-CB 3.28Å; S27-L31 WeakPolarHBondContact O-CB 3.11Å; S27-L31 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 3.22Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.94Å; L31-V33 PolarHBondContact O-N 2.9Å; L31-C34 PolarHBondContact O-N 3.41Å; L31-I35 HydrophobicContact CD1-CD1 4.19Å; L31-I35 HydrophobicContact CD1-CG1 4.47Å; L31-I35 HydrophobicContact CG-CD1 3.88Å; L31-I35 WeakPolarHBondContact O-CB 3.47Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.07Å
32	A	95.1	Very high	90.5	Very high	62 Å²	62	90 Å²	90	51%	0.512	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-41.4	177.9	0	0	0	0	0	112.3	L28 I29 V30 G36	L28-A32 WeakPolarHBondContact O-CB 3.4Å; L28-A32 PolarHBondContact O-N 2.93Å; I29-A32 PolarHBondContact O-N 3.29Å; V30-A32 PolarHBondContact O-N 2.91Å; A32-G36 PolarHBondContact O-N 3.12Å
33	V	95.6	Very high	89.4	Confident	79 Å²	79	93.9 Å²	93.9	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-45	175.4	173.2	0	0	0	0	111	I29 V30 L31 I35 G36 L37	I29-V33 HydrophobicContact CG2-CG2 4.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.41Å; I29-V33 PolarHBondContact O-N 3.05Å; V30-V33 PolarHBondContact O-N 3.31Å; L31-V33 PolarHBondContact O-N 2.9Å; V33-I35 PolarHBondContact O-N 3.07Å; V33-G36 PolarHBondContact O-N 3.3Å; V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 HydrophobicContact CG1-CG 4.3Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.77Å
34	C	93.4	Very high	88.4	Confident	64 Å²	64	97.1 Å²	97.1	43%	0.432	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44.3	176.5	-73.3	0	0	0	0	111.7	V30 L31 T38	V30-C34 WeakPolarHBondContact O-CB 3.37Å; V30-C34 PolarHBondContact O-N 3.41Å; V30-C34 PolarHBondContact O-SG 3.06Å; L31-C34 PolarHBondContact O-N 3.41Å; C34-T38 VanDerWaalsContact O-CB 3.28Å; C34-T38 WeakPolarHBondContact O-CB 3.15Å; C34-T38 PolarHBondContact O-N 2.84Å; C34-T38 PolarHBondContact O-OG1 2.91Å
35	I	92.8	Very high	87.4	Confident	93 Å²	93	96.3 Å²	96.3	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-46.2	174.7	-68.5	167.9	0	0	0	109.9	L31 V33 L37 T38 V39	L31-I35 HydrophobicContact CD1-CD1 4.19Å; L31-I35 HydrophobicContact CD1-CG1 4.47Å; L31-I35 HydrophobicContact CG-CD1 3.88Å; L31-I35 WeakPolarHBondContact O-CB 3.47Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.07Å; V33-I35 PolarHBondContact O-N 3.07Å; I35-L37 PolarHBondContact O-N 2.98Å; I35-T38 PolarHBondContact O-N 3.29Å; I35-V39 HydrophobicContact CG2-CG2 4.18Å; I35-V39 WeakPolarHBondContact O-CB 3.1Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.35Å; I35-V39 PolarHBondContact O-N 3.02Å
36	G	91.1	Very high	86.6	Confident	39 Å²	39	94.1 Å²	94.1	40%	0.402	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-47.5	178.4	0	0	0	0	0	112.9	A32 V33 V39 H40	A32-G36 PolarHBondContact O-N 3.12Å; V33-G36 PolarHBondContact O-N 3.3Å; G36-V39 PolarHBondContact O-N 2.96Å; G36-H40 VanDerWaalsContact O-CB 3.27Å; G36-H40 WeakPolarHBondContact O-CB 3.37Å; G36-H40 PolarHBondContact O-N 2.64Å
37	L	89.8	Confident	86.1	Confident	111 Å²	111	94.7 Å²	94.7	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-65.1	-39.7	175.8	-71.5	174.4	0	0	0	111.9	V33 I35 H40 Y41	V33-L37 HydrophobicContact CG1-CD1 3.92Å; V33-L37 HydrophobicContact CG1-CG 4.3Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.77Å; I35-L37 PolarHBondContact O-N 2.98Å; L37-H40 PolarHBondContact O-N 2.89Å; L37-Y41 WeakPolarHBondContact O-CB 3.25Å; L37-Y41 PolarHBondContact O-N 3.17Å
38	T	85.1	Confident	85.8	Confident	83 Å²	83	96.6 Å²	96.6	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-45.5	177.5	-54.9	0	0	0	0	110.8	C34 I35 Y41 V42	C34-T38 VanDerWaalsContact O-CB 3.28Å; C34-T38 WeakPolarHBondContact O-CB 3.15Å; C34-T38 PolarHBondContact O-N 2.84Å; C34-T38 PolarHBondContact O-OG1 2.91Å; I35-T38 PolarHBondContact O-N 3.29Å; T38-Y41 PolarHBondContact O-N 3.17Å; T38-V42 HydrophobicContact CG2-CG2 4.3Å; T38-V42 VanDerWaalsContact O-CB 3.3Å; T38-V42 WeakPolarHBondContact O-CB 3.43Å; T38-V42 WeakPolarHBondContact O-CG2 3.46Å; T38-V42 PolarHBondContact O-N 3.23Å
39	V	83.6	Confident	85.4	Confident	86 Å²	86	94.9 Å²	94.9	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.2	171.1	0	0	0	0	110.7	I35 G36 V42 R43	I35-V39 HydrophobicContact CG2-CG2 4.18Å; I35-V39 WeakPolarHBondContact O-CB 3.1Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.35Å; I35-V39 PolarHBondContact O-N 3.02Å; G36-V39 PolarHBondContact O-N 2.96Å; V39-V42 PolarHBondContact O-N 3.47Å; V39-R43 WeakPolarHBondContact O-CB 3.21Å; V39-R43 PolarHBondContact O-N 2.89Å
40	H	80.8	Confident	85.2	Confident	124 Å²	124	91.5 Å²	91.5	57%	0.574	47%	0.473	S	S	*	.	H	α-helix	trans	-61.8	-48.5	175.7	-178.2	80.7	0	0	0	111.4	G36 L37 R43 Y44	G36-H40 VanDerWaalsContact O-CB 3.27Å; G36-H40 WeakPolarHBondContact O-CB 3.37Å; G36-H40 PolarHBondContact O-N 2.64Å; L37-H40 PolarHBondContact O-N 2.89Å; H40-R43 PolarHBondContact O-N 2.98Å; H40-Y44 WeakPolarHBondContact O-CB 3.43Å; H40-Y44 PolarHBondContact O-N 3.11Å
41	Y	80.5	Confident	85.1	Confident	158 Å²	158	88.5 Å²	88.5	62%	0.62	45%	0.454	S	S	*	.	H	α-helix	trans	-61.6	-45.8	177.9	-175.2	-99	0	0	0	111.7	L37 T38 R43 N45	L37-Y41 WeakPolarHBondContact O-CB 3.25Å; L37-Y41 PolarHBondContact O-N 3.17Å; T38-Y41 PolarHBondContact O-N 3.17Å; Y41-R43 PolarHBondContact O-N 3.34Å; Y41-N45 WeakPolarHBondContact O-CB 3.18Å; Y41-N45 PolarHBondContact O-N 3.3Å
42	V	76.4	Confident	85.2	Confident	75 Å²	75	83.9 Å²	83.9	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176.7	169.6	0	0	0	0	111	T38 V39 Q46	T38-V42 HydrophobicContact CG2-CG2 4.3Å; T38-V42 VanDerWaalsContact O-CB 3.3Å; T38-V42 WeakPolarHBondContact O-CB 3.43Å; T38-V42 WeakPolarHBondContact O-CG2 3.46Å; T38-V42 PolarHBondContact O-N 3.23Å; V39-V42 PolarHBondContact O-N 3.47Å; V42-Q46 WeakPolarHBondContact O-CB 3.43Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.5Å; V42-Q46 PolarHBondContact O-N 2.86Å
43	R	68.1	Low	85.2	Confident	172 Å²	172	82.9 Å²	82.9	65%	0.649	41%	0.413	S	S	*	.	H	α-helix	trans	-72.3	-39	-179.3	-169.2	-178.2	-177	137.2	0.3	112.6	V39 H40 Y41 Q46	V39-R43 WeakPolarHBondContact O-CB 3.21Å; V39-R43 PolarHBondContact O-N 2.89Å; H40-R43 PolarHBondContact O-N 2.98Å; Y41-R43 PolarHBondContact O-N 3.34Å; R43-Q46 WeakPolarHBondContact O-CB 3.43Å; R43-Q46 PolarHBondContact O-N 3.41Å
44	Y	69.6	Low	85.3	Confident	132 Å²	132	79.3 Å²	79.3	52%	0.518	39%	0.392	S	S	.	.	H	α-helix	trans	-68.3	-39.2	177.1	-173.8	-99.1	0	0	0	111.1	H40 Q46 H125	H40-Y44 WeakPolarHBondContact O-CB 3.43Å; H40-Y44 PolarHBondContact O-N 3.11Å; Y44-Q46 VanDerWaalsContact C-N 3.29Å; Y44-Q46 PolarHBondContact O-N 3Å; Y44-H125 PolarHBondContact O-ND1 3.06Å
45	N	70.5	Confident	85.4	Confident	78 Å²	78	77.2 Å²	77.2	42%	0.417	38%	0.377	S	S	.	.	S	Bend	trans	-86.7	0.9	178.5	-144.2	12.9	0	0	0	113.3	Y41 R47	Y41-N45 WeakPolarHBondContact O-CB 3.18Å; Y41-N45 PolarHBondContact O-N 3.3Å; N45-R47 PolarHBondContact O-N 3.36Å; N45-R47 VanDerWaalsContact O-N 3.16Å
46	Q	78.2	Confident	85.5	Confident	108 Å²	108	72.9 Å²	72.9	51%	0.505	36%	0.355	S	S	.	.			trans	-71.9	108.8	171.2	-100	-179.2	1.7	0	0	109.3	V42 R43 Y44 S126	V42-Q46 WeakPolarHBondContact O-CB 3.43Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.5Å; V42-Q46 PolarHBondContact O-N 2.86Å; R43-Q46 WeakPolarHBondContact O-CB 3.43Å; R43-Q46 PolarHBondContact O-N 3.41Å; Y44-Q46 VanDerWaalsContact C-N 3.29Å; Y44-Q46 PolarHBondContact O-N 3Å; Q46-S126 VanDerWaalsContact O-CB 3.31Å; Q46-S126 WeakPolarHBondContact O-CB 3.21Å; Q46-S126 PolarHBondContact O-N 2.97Å
47	R	82.1	Confident	85.6	Confident	96 Å²	96	71.6 Å²	71.6	36%	0.362	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.7	172.6	-60.9	-167.6	175.1	-170.3	1.3	111.1	N45 E97 R123 F124	N45-R47 PolarHBondContact O-N 3.36Å; N45-R47 VanDerWaalsContact O-N 3.16Å; R47-E97 PolarHBondContact NH1-O 3.1Å; R47-E97 VanDerWaalsContact NH1-O 3.13Å; R47-E97 IonicContact NH2-OE2 3.31Å; R47-R123 HydrophobicContact CB-CG 3.43Å; R47-R123 VanDerWaalsContact CB-CG 3.43Å; R47-R123 HydrophobicContact CG-CG 4.26Å; R47-F124 CarbonylContact C-O 3.5Å; R47-F124 VanDerWaalsContact CA-O 3.3Å; R47-F124 WeakPolarHBondContact CA-O 3.44Å
48	K	86.3	Confident	85.7	Confident	108 Å²	108	66.5 Å²	66.5	47%	0.47	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137	178.4	-172.6	174.1	-178.4	177.8	0	110.1	Y50 R123 F124	K48-Y50 HydrophobicContact CB-CE2 3.88Å; K48-Y50 HydrophobicContact CD-CE2 4.37Å; K48-Y50 HydrophobicContact CG-CE2 4.11Å; K48-Y50 VanDerWaalsContact O-CD2 3.23Å; K48-Y50 WeakPolarHBondContact O-CD2 3.41Å; K48-Y50 WeakPolarHBondContact O-CE2 3.31Å; K48-R123 WeakPolarHBondContact O-CA 3.48Å; K48-F124 PolarHBondContact N-O 3.12Å; K48-F124 PolarHBondContact O-N 2.79Å; K48-F124 VanDerWaalsContact O-N 3.12Å
49	T	89.1	Confident	85.8	Confident	68 Å²	68	65.9 Å²	65.9	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.2	175.6	-54.4	0	0	0	0	110.7	I121 C122	T49-I121 HydrophobicContact CG2-CG2 3.6Å; T49-C122 CarbonylContact C-O 3.49Å; T49-C122 WeakPolarHBondContact CA-O 3.22Å
50	Y	91.1	Very high	85.7	Confident	6 Å²	6	63.7 Å²	63.7	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.8	174.1	-66.4	-95.6	0	0	0	108.5	K48 C122 F124 P130 I133	K48-Y50 HydrophobicContact CB-CE2 3.88Å; K48-Y50 HydrophobicContact CD-CE2 4.37Å; K48-Y50 HydrophobicContact CG-CE2 4.11Å; K48-Y50 VanDerWaalsContact O-CD2 3.23Å; K48-Y50 WeakPolarHBondContact O-CD2 3.41Å; K48-Y50 WeakPolarHBondContact O-CE2 3.31Å; Y50-C122 PolarHBondContact N-O 2.78Å; Y50-C122 PolarHBondContact O-N 3.48Å; Y50-F124 HydrophobicContact CD2-CB 4.15Å; Y50-F124 HydrophobicContact CD2-CD2 4.13Å; Y50-F124 HydrophobicContact CE2-CB 3.93Å; Y50-P130 HydrophobicContact CE1-CB 4.5Å; Y50-I133 HydrophobicContact CD1-CD1 4.26Å; Y50-I133 HydrophobicContact CD2-CD1 4.12Å; Y50-I133 HydrophobicContact CE1-CD1 3.7Å; Y50-I133 HydrophobicContact CE2-CD1 3.52Å; Y50-I133 HydrophobicContact CG-CD1 4.46Å; Y50-I133 HydrophobicContact CG-CG2 4.43Å; Y50-I133 WeakPolarHBondContact OH-CD1 3.37Å
51	N	93.6	Very high	85.7	Confident	19 Å²	19	66.2 Å²	66.2	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.9	-178.1	-59.6	-48	0	0	0	109.3	L120 I164 I169	N51-L120 WeakPolarHBondContact CA-O 3.34Å; N51-I164 HydrophobicContact CB-CD1 4.41Å; N51-I164 HydrophobicContact CB-CG1 3.79Å; N51-I164 WeakPolarHBondContact O-CG1 3.28Å; N51-I164 PolarHBondContact O-N 3.22Å; N51-I169 HydrophobicContact CB-CB 4.35Å; N51-I169 HydrophobicContact CB-CD1 3.86Å; N51-I169 HydrophobicContact CB-CG2 4.39Å; N51-I169 WeakPolarHBondContact OD1-CD1 3.4Å
52	Y	95.4	Very high	85.5	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.3	178.9	-59.6	-89.4	0	0	0	110.4	L119 L120 I133 N134 V137 I161 K162 K163	Y52-L119 CarbonylContact O-C 3.55Å; Y52-L119 WeakPolarHBondContact O-CA 3.41Å; Y52-L120 PolarHBondContact N-O 2.85Å; Y52-L120 PolarHBondContact O-N 2.85Å; Y52-I133 WeakPolarHBondContact OH-CG2 3.4Å; Y52-N134 WeakPolarHBondContact CE1-OD1 3.32Å; Y52-N134 PolarHBondContact OH-OD1 3.38Å; Y52-V137 HydrophobicContact CE2-CG2 4.21Å; Y52-I161 HydrophobicContact CD1-CB 4.35Å; Y52-I161 HydrophobicContact CD1-CD1 4.24Å; Y52-I161 HydrophobicContact CE1-CD1 4.32Å; Y52-K162 CarbonylContact C-O 3.49Å; Y52-K162 WeakPolarHBondContact CA-O 3.46Å; Y52-K163 HydrophobicContact CD1-CB 4.18Å; Y52-K163 HydrophobicContact CE1-CB 3.97Å; Y52-K163 HydrophobicContact CE1-CG 4.31Å
53	Y	96.8	Very high	85.5	Confident	41 Å²	41	64.1 Å²	64.1	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.6	157.5	-179.2	-91.5	0	0	0	107.9	T55 I105 H117 L119 I161 K162 Y172	Y53-T55 HydrophobicContact CE1-CG2 3.73Å; Y53-I105 HydrophobicContact CE2-CD1 4.05Å; Y53-H117 HydrophobicContact CE2-CB 4.44Å; Y53-H117 AromaticContact CZ-ND1 3.6Å; Y53-H117 PolarHBondContact OH-ND1 3.37Å; Y53-L119 HydrophobicContact CD2-CD2 4.41Å; Y53-I161 CarbonylContact O-C 3.55Å; Y53-I161 WeakPolarHBondContact O-CA 3.18Å; Y53-K162 PolarHBondContact N-O 2.87Å; Y53-K162 PolarHBondContact O-N 3.46Å; Y53-Y172 HydrophobicContact CD2-CE1 4.4Å; Y53-Y172 AromaticContact CD2-CE2 3.97Å; Y53-Y172 HydrophobicContact CD2-CE2 3.97Å; Y53-Y172 AromaticContact CD2-CZ 3.88Å; Y53-Y172 HydrophobicContact CE2-CE1 4.15Å; Y53-Y172 HydrophobicContact CE2-CE2 4.5Å; Y53-Y172 AromaticContact CE2-CZ 3.98Å
54	S	96.3	Very high	86	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.3	-179.4	-173.8	0	0	0	0	110.9	M118 N160	S54-M118 PolarHBondContact N-O 3.18Å; S54-M118 PolarHBondContact O-N 3.44Å; S54-N160 CarbonylContact C-O 3.48Å; S54-N160 VanDerWaalsContact CA-O 3.22Å; S54-N160 WeakPolarHBondContact CA-O 3.43Å; S54-N160 PolarHBondContact OG-O 3.4Å
55	T	96.1	Very high	86.2	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.1	167.8	59.7	0	0	0	0	110.3	Y53 L115 A116 V159 N160	Y53-T55 HydrophobicContact CE1-CG2 3.73Å; T55-L115 HydrophobicContact CG2-CD2 4.31Å; T55-A116 VanDerWaalsContact CA-O 3.26Å; T55-A116 WeakPolarHBondContact CA-O 3.15Å; T55-V159 WeakPolarHBondContact O-CA 3.25Å; T55-N160 PolarHBondContact N-O 3.45Å; T55-N160 PolarHBondContact O-N 3.46Å; T55-N160 VanDerWaalsContact O-N 3.17Å
56	L	94.5	Very high	86.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123	178.6	174.2	66	0	0	0	109.5	L82 A116 L145 V154 V159	L56-L82 HydrophobicContact CD2-CD2 4.24Å; L56-A116 PolarHBondContact N-O 3.16Å; L56-A116 WeakPolarHBondContact O-CB 3.46Å; L56-A116 PolarHBondContact O-N 3.12Å; L56-L145 HydrophobicContact CD1-CD1 4.14Å; L56-L145 HydrophobicContact CD2-CD1 4.18Å; L56-V154 HydrophobicContact CD1-CB 4.2Å; L56-V154 HydrophobicContact CD2-CB 4.4Å; L56-V154 HydrophobicContact CD2-CG1 3.96Å; L56-V154 HydrophobicContact CG-CB 4.5Å; L56-V154 HydrophobicContact CG-CG1 4.41Å; L56-V159 HydrophobicContact CD1-CG2 3.43Å; L56-V159 VanDerWaalsContact CD1-CG2 3.43Å
57	S	93.8	Very high	86.7	Confident	12 Å²	12	51.8 Å²	51.8	8%	0.084	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.5	176.7	-42	0	0	0	0	110.1	Q110 V114 L115 D155 S158	S57-Q110 PolarHBondContact OG-OE1 2.84Å; S57-V114 WeakPolarHBondContact CA-O 3.45Å; S57-L115 WeakPolarHBondContact OG-CD1 3.32Å; S57-D155 PolarHBondContact O-N 2.88Å; S57-S158 WeakPolarHBondContact CB-OG 3.43Å; S57-S158 PolarHBondContact N-OG 3.29Å; S57-S158 WeakPolarHBondContact OG-CB 3.49Å; S57-S158 PolarHBondContact OG-OG 3.36Å
58	F	91.5	Very high	86.2	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.5	174.5	69.3	-83.9	0	0	0	111.7	T60 M78 L82 F107 V114 A116 P152 K153 V154	F58-T60 HydrophobicContact CD2-CG2 4.17Å; F58-T60 HydrophobicContact CE2-CG2 3.73Å; F58-M78 HydrophobicContact CD2-SD 4.27Å; F58-M78 HydrophobicContact CE2-CE 4.05Å; F58-M78 HydrophobicContact CE2-CG 3.89Å; F58-M78 HydrophobicContact CE2-SD 3.71Å; F58-M78 HydrophobicContact CZ-CG 3.84Å; F58-M78 HydrophobicContact CZ-SD 4.24Å; F58-L82 HydrophobicContact CB-CD2 4.49Å; F58-L82 HydrophobicContact CD1-CD1 3.93Å; F58-L82 HydrophobicContact CD1-CD2 4.38Å; F58-L82 HydrophobicContact CE1-CD1 3.75Å; F58-L82 HydrophobicContact CG-CD2 4.39Å; F58-L82 HydrophobicContact CZ-CD1 4.18Å; F58-F107 AromaticContact CE1-CD1 3.64Å; F58-F107 HydrophobicContact CE1-CD1 3.64Å; F58-F107 AromaticContact CE1-CE1 3.59Å; F58-F107 HydrophobicContact CE1-CE1 3.59Å; F58-F107 AromaticContact CZ-CD1 3.79Å; F58-F107 HydrophobicContact CZ-CD1 3.79Å; F58-F107 AromaticContact CZ-CE1 3.68Å; F58-F107 HydrophobicContact CZ-CE1 3.68Å; F58-V114 HydrophobicContact CD1-CB 4.3Å; F58-V114 VanDerWaalsContact CD1-O 3.31Å; F58-V114 WeakPolarHBondContact CD1-O 3.4Å; F58-V114 HydrophobicContact CE1-CB 3.7Å; F58-V114 HydrophobicContact CE1-CG1 3.59Å; F58-V114 HydrophobicContact CE2-CB 3.98Å; F58-V114 HydrophobicContact CE2-CG1 4.37Å; F58-V114 HydrophobicContact CZ-CB 3.54Å; F58-V114 HydrophobicContact CZ-CG1 3.48Å; F58-V114 VanDerWaalsContact CZ-CG1 3.48Å; F58-V114 HydrophobicContact CZ-CG2 4.37Å; F58-V114 PolarHBondContact N-O 3.49Å; F58-V114 PolarHBondContact O-N 3.09Å; F58-A116 HydrophobicContact CD1-CB 4.23Å; F58-A116 HydrophobicContact CE1-CB 3.99Å; F58-P152 HydrophobicContact CB-CB 4.09Å; F58-P152 HydrophobicContact CB-CG 4.27Å; F58-P152 HydrophobicContact CD2-CB 3.47Å; F58-P152 VanDerWaalsContact CD2-CB 3.47Å; F58-P152 HydrophobicContact CD2-CG 3.86Å; F58-P152 HydrophobicContact CE2-CB 4.26Å; F58-P152 HydrophobicContact CG-CB 4.12Å; F58-P152 HydrophobicContact CG-CG 4.22Å; F58-K153 CarbonylContact C-O 3.56Å; F58-K153 VanDerWaalsContact CA-O 3.32Å; F58-K153 WeakPolarHBondContact CA-O 3.35Å; F58-V154 HydrophobicContact CB-CG1 4.11Å
59	T	87.7	Confident	85.9	Confident	70 Å²	70	51.8 Å²	51.8	43%	0.429	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.2	173.3	55.9	0	0	0	0	110.3	P152 K153	T59-P152 VanDerWaalsContact O-CB 3.31Å; T59-P152 WeakPolarHBondContact O-CB 3.43Å; T59-K153 PolarHBondContact N-O 2.97Å; T59-K153 PolarHBondContact O-N 3.38Å; T59-K153 PolarHBondContact OG1-O 2.94Å
60	T	81.6	Confident	85.4	Confident	41 Å²	41	51.4 Å²	51.4	25%	0.252	28%	0.277	S	S	.	.			trans	-150.3	149.7	-176.7	173.8	0	0	0	0	109	F58 K62 F67 V114	F58-T60 HydrophobicContact CD2-CG2 4.17Å; F58-T60 HydrophobicContact CE2-CG2 3.73Å; T60-K62 PolarHBondContact O-N 3.43Å; T60-K62 PolarHBondContact OG1-N 3.19Å; T60-F67 HydrophobicContact CG2-CE2 3.74Å; T60-F67 HydrophobicContact CG2-CZ 4.02Å; T60-V114 HydrophobicContact CG2-CG2 4.23Å
61	D	80.2	Confident	84.9	Confident	176 Å²	176	51.3 Å²	51.3	94%	0.941	28%	0.277	S	S	*	.	S	Bend	trans	-75.7	-16.2	176.6	-55.9	-40.3	0	0	0	112.3
62	K	77.4	Confident	84.7	Confident	63 Å²	63	50.6 Å²	50.6	27%	0.274	27%	0.273	S	S	.	.	S	Bend	trans	-78.9	145.5	176.4	-64.4	-173.9	-179.8	-178.1	0	111.8	T60 F67 N74 E77	T60-K62 PolarHBondContact O-N 3.43Å; T60-K62 PolarHBondContact OG1-N 3.19Å; K62-F67 HydrophobicContact CB-CE2 4.18Å; K62-F67 HydrophobicContact CB-CZ 3.74Å; K62-F67 HydrophobicContact CD-CE1 4.37Å; K62-F67 HydrophobicContact CD-CZ 4.21Å; K62-N74 PolarHBondContact NZ-OD1 2.93Å; K62-E77 IonicContact NZ-OE2 2.84Å; K62-E77 PolarHBondContact NZ-OE2 3.01Å
63	L	76.2	Confident	84.4	Confident	126 Å²	126	53 Å²	53	66%	0.66	29%	0.286	S	S	*	.			trans	-71.4	145.1	178.1	-71.1	166.3	0	0	0	111.4	A65 E66	L63-A65 PolarHBondContact O-N 3.22Å; L63-A65 VanDerWaalsContact O-N 3.13Å; L63-E66 HydrophobicContact CB-CG 4.34Å; L63-E66 PolarHBondContact N-OE1 3.39Å; L63-E66 VanDerWaalsContact N-OE1 3.07Å; L63-E66 VanDerWaalsContact O-CB 3.23Å; L63-E66 WeakPolarHBondContact O-CB 3.46Å; L63-E66 PolarHBondContact O-N 3.06Å
64	Y	77.1	Confident	84.1	Confident	76 Å²	76	53.1 Å²	53.1	30%	0.298	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-53.4	-37.5	176.8	168.5	-104	0	0	0	113.3	E66 F67 G68 F107 Q109 V114	Y64-E66 PolarHBondContact O-N 2.79Å; Y64-E66 VanDerWaalsContact O-N 3.07Å; Y64-F67 PolarHBondContact O-N 3.43Å; Y64-G68 PolarHBondContact O-N 3.29Å; Y64-F107 HydrophobicContact CE2-CB 4.09Å; Y64-F107 PolarHBondContact OH-O 2.93Å; Y64-Q109 HydrophobicContact CD1-CB 3.95Å; Y64-Q109 HydrophobicContact CD1-CG 4.46Å; Y64-Q109 HydrophobicContact CD2-CB 4.33Å; Y64-Q109 HydrophobicContact CE1-CB 4.07Å; Y64-Q109 HydrophobicContact CE2-CB 4.44Å; Y64-Q109 HydrophobicContact CG-CB 4.08Å; Y64-Q109 HydrophobicContact CG-CG 4.47Å; Y64-V114 HydrophobicContact CD2-CG1 4.03Å; Y64-V114 HydrophobicContact CD2-CG2 4.24Å; Y64-V114 HydrophobicContact CE2-CG1 4.49Å
65	A	75.6	Confident	83.8	Confident	82 Å²	82	53.4 Å²	53.4	68%	0.678	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-56	-26.6	178.8	0	0	0	0	0	112.9	L63 F67 G68	L63-A65 PolarHBondContact O-N 3.22Å; L63-A65 VanDerWaalsContact O-N 3.13Å; A65-F67 PolarHBondContact O-N 3.32Å; A65-G68 PolarHBondContact O-N 2.68Å
66	E	78.1	Confident	83.6	Confident	70 Å²	70	52.8 Å²	52.8	33%	0.327	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71.4	-18.4	177.2	-64.1	177.8	-134.7	0	0	113.4	L63 Y64 N74	L63-E66 HydrophobicContact CB-CG 4.34Å; L63-E66 PolarHBondContact N-OE1 3.39Å; L63-E66 VanDerWaalsContact N-OE1 3.07Å; L63-E66 VanDerWaalsContact O-CB 3.23Å; L63-E66 WeakPolarHBondContact O-CB 3.46Å; L63-E66 PolarHBondContact O-N 3.06Å; Y64-E66 PolarHBondContact O-N 2.79Å; Y64-E66 VanDerWaalsContact O-N 3.07Å; E66-N74 HydrophobicContact CB-CB 4.34Å; E66-N74 WeakPolarHBondContact O-CB 3.43Å; E66-N74 PolarHBondContact OE2-ND2 3.37Å
67	F	80.7	Confident	83.4	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.013	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-102.1	-2.4	176.4	-49.7	-62.9	0	0	0	113.1	T60 K62 Y64 A65 R69 N74 F75 M78 F107 V114	T60-F67 HydrophobicContact CG2-CE2 3.74Å; T60-F67 HydrophobicContact CG2-CZ 4.02Å; K62-F67 HydrophobicContact CB-CE2 4.18Å; K62-F67 HydrophobicContact CB-CZ 3.74Å; K62-F67 HydrophobicContact CD-CE1 4.37Å; K62-F67 HydrophobicContact CD-CZ 4.21Å; Y64-F67 PolarHBondContact O-N 3.43Å; A65-F67 PolarHBondContact O-N 3.32Å; F67-R69 PolarHBondContact O-N 3Å; F67-N74 HydrophobicContact CD1-CB 4.29Å; F67-N74 HydrophobicContact CE1-CB 4.31Å; F67-F75 WeakPolarHBondContact O-CD2 3.4Å; F67-M78 HydrophobicContact CD1-CB 4.07Å; F67-M78 HydrophobicContact CD1-CG 4.4Å; F67-M78 HydrophobicContact CE1-CB 3.66Å; F67-M78 HydrophobicContact CE1-CE 4.01Å; F67-M78 HydrophobicContact CE1-CG 3.92Å; F67-M78 HydrophobicContact CZ-CB 4.47Å; F67-M78 HydrophobicContact CZ-CE 3.76Å; F67-M78 HydrophobicContact CZ-CG 4.3Å; F67-F107 HydrophobicContact CB-CB 4.15Å; F67-F107 HydrophobicContact CB-CD2 3.63Å; F67-F107 HydrophobicContact CB-CE2 4.35Å; F67-F107 HydrophobicContact CB-CG 4.1Å; F67-F107 HydrophobicContact CG-CD2 4.24Å; F67-V114 HydrophobicContact CD2-CG2 4.44Å; F67-V114 HydrophobicContact CE2-CG2 4.43Å
68	G	70.3	Confident	83.4	Confident	51 Å²	51	55.6 Å²	55.6	53%	0.526	30%	0.298	S	S	.	.	S	Bend	trans	-69.2	-20.5	-174.1	0	0	0	0	0	114.1	Y64 A65	Y64-G68 PolarHBondContact O-N 3.29Å; A65-G68 PolarHBondContact O-N 2.68Å
69	R	80.3	Confident	83.5	Confident	154 Å²	154	55.4 Å²	55.4	58%	0.581	30%	0.298	S	S	*	.	S	Bend	trans	-96.9	109.8	176.3	-65.6	-170.2	-61.6	178.2	4.6	110.1	F67 A71 S72 F75	F67-R69 PolarHBondContact O-N 3Å; R69-A71 PolarHBondContact O-N 2.96Å; R69-S72 WeakPolarHBondContact O-CB 3.34Å; R69-S72 PolarHBondContact O-N 3.07Å; R69-S72 VanDerWaalsContact O-N 3.16Å; R69-S72 PolarHBondContact O-OG 2.9Å; R69-F75 WeakPolarHBondContact O-CB 3.37Å
70	E	79.1	Confident	83.8	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	136.4	169.4	-168.9	-175.7	-176.7	0	0	109.6	S72 F75 C176 C177 R294	E70-S72 PolarHBondContact O-N 3.13Å; E70-F75 HydrophobicContact CG-CE1 4.45Å; E70-F75 HydrophobicContact CG-CZ 4.49Å; E70-C176 WeakPolarHBondContact OE1-CA 3.34Å; E70-C177 PolarHBondContact OE1-N 3.46Å; E70-R294 IonicContact OE2-CZ 3.26Å; E70-R294 IonicContact OE2-NH2 3.89Å; E70-R294 PolarHBondContact OE2-NH2 3.47Å
71	A	81.7	Confident	84.3	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.033	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	6.7	-179.8	0	0	0	0	0	116.6	R69 C296 Y386	R69-A71 PolarHBondContact O-N 2.96Å; A71-C296 HydrophobicContact CB-CB 3.69Å; A71-Y386 HydrophobicContact CB-CD1 4.48Å; A71-Y386 HydrophobicContact CB-CE1 3.52Å
72	S	88.7	Confident	85	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.021	25%	0.254	C	S	.	.			trans	-66.1	158.1	167.6	62.7	0	0	0	0	112	R69 E70 N74 F75 T76 D299	R69-S72 WeakPolarHBondContact O-CB 3.34Å; R69-S72 PolarHBondContact O-N 3.07Å; R69-S72 VanDerWaalsContact O-N 3.16Å; R69-S72 PolarHBondContact O-OG 2.9Å; E70-S72 PolarHBondContact O-N 3.13Å; S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 2.81Å; S72-F75 PolarHBondContact O-N 2.88Å; S72-F75 VanDerWaalsContact OG-CB 3.23Å; S72-F75 WeakPolarHBondContact OG-CB 3.35Å; S72-F75 PolarHBondContact OG-N 2.85Å; S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 PolarHBondContact O-N 3.48Å; S72-T76 PolarHBondContact O-OG1 2.9Å; S72-T76 VanDerWaalsContact O-OG1 3.1Å; S72-D299 WeakPolarHBondContact CA-OD2 3.31Å; S72-D299 VanDerWaalsContact CB-OD2 3.32Å; S72-D299 WeakPolarHBondContact CB-OD2 3.26Å
73	N	88.4	Confident	85.8	Confident	51 Å²	51	47.6 Å²	47.6	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-54.7	-45.9	179	-76.5	-1.4	0	0	0	111.5	T76 E77 D299 S301	N73-T76 PolarHBondContact O-N 2.74Å; N73-E77 VanDerWaalsContact O-CB 3.29Å; N73-E77 WeakPolarHBondContact O-CB 3.38Å; N73-E77 PolarHBondContact O-N 3.41Å; N73-D299 PolarHBondContact N-OD2 2.75Å; N73-S301 PolarHBondContact ND2-OG 3.07Å
74	N	90.1	Very high	86.6	Confident	45 Å²	45	44.2 Å²	44.2	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-41.7	178.5	-78.8	-24.1	0	0	0	112.8	K62 E66 F67 S72 M78	K62-N74 PolarHBondContact NZ-OD1 2.93Å; E66-N74 HydrophobicContact CB-CB 4.34Å; E66-N74 WeakPolarHBondContact O-CB 3.43Å; E66-N74 PolarHBondContact OE2-ND2 3.37Å; F67-N74 HydrophobicContact CD1-CB 4.29Å; F67-N74 HydrophobicContact CE1-CB 4.31Å; S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 2.81Å; N74-M78 VanDerWaalsContact O-CB 3.28Å; N74-M78 WeakPolarHBondContact O-CB 3.43Å; N74-M78 PolarHBondContact O-N 3.04Å; N74-M78 VanDerWaalsContact O-N 3.11Å
75	F	91.4	Very high	87.4	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-51	173.5	179.1	-86.6	0	0	0	110.6	F67 R69 E70 S72 M78 S79 V104 F107	F67-F75 WeakPolarHBondContact O-CD2 3.4Å; R69-F75 WeakPolarHBondContact O-CB 3.37Å; E70-F75 HydrophobicContact CG-CE1 4.45Å; E70-F75 HydrophobicContact CG-CZ 4.49Å; S72-F75 PolarHBondContact O-N 2.88Å; S72-F75 VanDerWaalsContact OG-CB 3.23Å; S72-F75 WeakPolarHBondContact OG-CB 3.35Å; S72-F75 PolarHBondContact OG-N 2.85Å; F75-M78 PolarHBondContact O-N 3.31Å; F75-S79 VanDerWaalsContact O-CB 3.31Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 3.11Å; F75-V104 HydrophobicContact CZ-CG1 4.36Å; F75-F107 AromaticContact CD2-CD2 3.36Å; F75-F107 HydrophobicContact CD2-CD2 3.36Å; F75-F107 AromaticContact CD2-CE2 3.44Å; F75-F107 HydrophobicContact CD2-CE2 3.44Å; F75-F107 VanDerWaalsContact CD2-CE2 3.44Å; F75-F107 AromaticContact CE2-CD2 3.41Å; F75-F107 HydrophobicContact CE2-CD2 3.41Å; F75-F107 VanDerWaalsContact CE2-CD2 3.41Å; F75-F107 AromaticContact CE2-CE2 3.57Å; F75-F107 HydrophobicContact CE2-CE2 3.57Å; F75-F107 HydrophobicContact CE2-CG 4.5Å; F75-F107 HydrophobicContact CG-CD2 4.37Å; F75-F107 HydrophobicContact CG-CE2 4.06Å; F75-F107 HydrophobicContact CZ-CD2 4.46Å; F75-F107 HydrophobicContact CZ-CE2 4.29Å
76	T	91.4	Very high	88.3	Confident	8 Å²	8	38 Å²	38	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-47.8	-176	-66.9	0	0	0	0	112.3	S72 N73 M78 S79 Q80 D380 R382 Y386	S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 PolarHBondContact O-N 3.48Å; S72-T76 PolarHBondContact O-OG1 2.9Å; S72-T76 VanDerWaalsContact O-OG1 3.1Å; N73-T76 PolarHBondContact O-N 2.74Å; T76-M78 PolarHBondContact O-N 2.98Å; T76-S79 PolarHBondContact O-N 3.42Å; T76-Q80 WeakPolarHBondContact O-CB 3.4Å; T76-Q80 VanDerWaalsContact O-CG 3.27Å; T76-Q80 WeakPolarHBondContact O-CG 3.29Å; T76-Q80 PolarHBondContact O-N 3.38Å; T76-D380 WeakPolarHBondContact CG2-OD2 3.42Å; T76-R382 PolarHBondContact OG1-NH2 3.17Å; T76-Y386 PolarHBondContact OG1-OH 3.3Å
77	E	91.3	Very high	89	Confident	66 Å²	66	40.6 Å²	40.6	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-47.5	176.5	-174.2	-167.2	-180	0	0	111.2	K62 N73 Q80 R81	K62-E77 IonicContact NZ-OE2 2.84Å; K62-E77 PolarHBondContact NZ-OE2 3.01Å; N73-E77 VanDerWaalsContact O-CB 3.29Å; N73-E77 WeakPolarHBondContact O-CB 3.38Å; N73-E77 PolarHBondContact O-N 3.41Å; E77-Q80 PolarHBondContact O-N 2.86Å; E77-R81 WeakPolarHBondContact O-CG 3.28Å; E77-R81 PolarHBondContact O-N 2.87Å; E77-R81 VanDerWaalsContact O-N 3.11Å; E77-R81 IonicContact OE1-CZ 2.95Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 2.93Å; E77-R81 IonicContact OE1-NH1 3.85Å; E77-R81 IonicContact OE1-NH2 3.32Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å
78	M	92.8	Very high	89.5	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-42.6	-179	-173.5	57	71.5	0	0	112	F58 F67 N74 F75 T76 R81 L82 F107 P152	F58-M78 HydrophobicContact CD2-SD 4.27Å; F58-M78 HydrophobicContact CE2-CE 4.05Å; F58-M78 HydrophobicContact CE2-CG 3.89Å; F58-M78 HydrophobicContact CE2-SD 3.71Å; F58-M78 HydrophobicContact CZ-CG 3.84Å; F58-M78 HydrophobicContact CZ-SD 4.24Å; F67-M78 HydrophobicContact CD1-CB 4.07Å; F67-M78 HydrophobicContact CD1-CG 4.4Å; F67-M78 HydrophobicContact CE1-CB 3.66Å; F67-M78 HydrophobicContact CE1-CE 4.01Å; F67-M78 HydrophobicContact CE1-CG 3.92Å; F67-M78 HydrophobicContact CZ-CB 4.47Å; F67-M78 HydrophobicContact CZ-CE 3.76Å; F67-M78 HydrophobicContact CZ-CG 4.3Å; N74-M78 VanDerWaalsContact O-CB 3.28Å; N74-M78 WeakPolarHBondContact O-CB 3.43Å; N74-M78 PolarHBondContact O-N 3.04Å; N74-M78 VanDerWaalsContact O-N 3.11Å; F75-M78 PolarHBondContact O-N 3.31Å; T76-M78 PolarHBondContact O-N 2.98Å; M78-R81 PolarHBondContact O-N 2.89Å; M78-L82 HydrophobicContact CG-CD1 4.23Å; M78-L82 WeakPolarHBondContact O-CG 3.26Å; M78-L82 PolarHBondContact O-N 2.82Å; M78-F107 HydrophobicContact CB-CE2 4.43Å; M78-F107 HydrophobicContact CB-CZ 4.08Å; M78-F107 HydrophobicContact CG-CE1 4.22Å; M78-F107 HydrophobicContact CG-CE2 4.46Å; M78-F107 HydrophobicContact CG-CZ 3.78Å; M78-P152 HydrophobicContact CE-CB 4.32Å; M78-P152 HydrophobicContact CE-CG 4.46Å; M78-P152 HydrophobicContact SD-CB 3.96Å; M78-P152 HydrophobicContact SD-CG 3.51Å; M78-P152 VanDerWaalsContact SD-CG 3.51Å
79	S	94	Very high	90.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-44.3	175.3	-67.9	0	0	0	0	112.1	F75 T76 R81 L82 E83 V104 R382	F75-S79 VanDerWaalsContact O-CB 3.31Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 3.11Å; T76-S79 PolarHBondContact O-N 3.42Å; S79-R81 VanDerWaalsContact C-N 3.32Å; S79-R81 PolarHBondContact O-N 2.8Å; S79-L82 PolarHBondContact O-N 3.16Å; S79-E83 VanDerWaalsContact O-CB 3.32Å; S79-E83 WeakPolarHBondContact O-CB 3.47Å; S79-E83 WeakPolarHBondContact O-CG 3.02Å; S79-E83 PolarHBondContact O-N 3.41Å; S79-V104 WeakPolarHBondContact OG-CB 3.23Å; S79-V104 WeakPolarHBondContact OG-CG1 3.38Å; S79-R382 PolarHBondContact OG-NH1 2.93Å
80	Q	93.3	Very high	91.3	Very high	70 Å²	70	34.6 Å²	34.6	33%	0.327	17%	0.17	S	C	.	.	H	α-helix	trans	-58.9	-43.3	176.7	-77.5	174.2	2	0	0	111.7	T76 E77 S84 R382	T76-Q80 WeakPolarHBondContact O-CB 3.4Å; T76-Q80 VanDerWaalsContact O-CG 3.27Å; T76-Q80 WeakPolarHBondContact O-CG 3.29Å; T76-Q80 PolarHBondContact O-N 3.38Å; E77-Q80 PolarHBondContact O-N 2.86Å; Q80-S84 VanDerWaalsContact O-CB 3.27Å; Q80-S84 WeakPolarHBondContact O-CB 3.37Å; Q80-S84 PolarHBondContact O-N 2.91Å; Q80-R382 HydrophobicContact CG-CG 3.55Å
81	R	93.1	Very high	91.8	Very high	98 Å²	98	39.2 Å²	39.2	37%	0.37	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-51.7	176.7	-71.9	180	-177.5	178.7	4.8	111.6	E77 M78 S79 E83 S84 M85	E77-R81 WeakPolarHBondContact O-CG 3.28Å; E77-R81 PolarHBondContact O-N 2.87Å; E77-R81 VanDerWaalsContact O-N 3.11Å; E77-R81 IonicContact OE1-CZ 2.95Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 2.93Å; E77-R81 IonicContact OE1-NH1 3.85Å; E77-R81 IonicContact OE1-NH2 3.32Å; E77-R81 PolarHBondContact OE1-NH2 3.43Å; M78-R81 PolarHBondContact O-N 2.89Å; S79-R81 VanDerWaalsContact C-N 3.32Å; S79-R81 PolarHBondContact O-N 2.8Å; R81-E83 PolarHBondContact O-N 2.77Å; R81-S84 PolarHBondContact O-N 3.37Å; R81-M85 VanDerWaalsContact O-CG 3.29Å; R81-M85 WeakPolarHBondContact O-CG 3.43Å; R81-M85 PolarHBondContact O-N 2.71Å
82	L	94.1	Very high	92.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-42	-179.2	-69.9	171.5	0	0	0	112.6	L56 F58 M78 S79 S84 M85 V86 V104 F107 A116 P152 V154	L56-L82 HydrophobicContact CD2-CD2 4.24Å; F58-L82 HydrophobicContact CB-CD2 4.49Å; F58-L82 HydrophobicContact CD1-CD1 3.93Å; F58-L82 HydrophobicContact CD1-CD2 4.38Å; F58-L82 HydrophobicContact CE1-CD1 3.75Å; F58-L82 HydrophobicContact CG-CD2 4.39Å; F58-L82 HydrophobicContact CZ-CD1 4.18Å; M78-L82 HydrophobicContact CG-CD1 4.23Å; M78-L82 WeakPolarHBondContact O-CG 3.26Å; M78-L82 PolarHBondContact O-N 2.82Å; S79-L82 PolarHBondContact O-N 3.16Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-M85 HydrophobicContact CD2-SD 4.33Å; L82-M85 PolarHBondContact O-N 3.47Å; L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 3.12Å; L82-V104 HydrophobicContact CB-CG2 4.28Å; L82-F107 HydrophobicContact CD1-CE1 3.59Å; L82-F107 HydrophobicContact CD1-CZ 4.08Å; L82-A116 HydrophobicContact CD1-CB 3.78Å; L82-P152 HydrophobicContact CD2-CG 3.64Å; L82-P152 HydrophobicContact CG-CG 4.19Å; L82-V154 HydrophobicContact CD2-CG1 3.73Å
83	E	94.4	Very high	92.4	Very high	17 Å²	17	44.7 Å²	44.7	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-37.9	175.9	-70.1	168.7	-156.7	0	0	111.7	S79 R81 V86 K87 S102 Q103 V104 M118 R382	S79-E83 VanDerWaalsContact O-CB 3.32Å; S79-E83 WeakPolarHBondContact O-CB 3.47Å; S79-E83 WeakPolarHBondContact O-CG 3.02Å; S79-E83 PolarHBondContact O-N 3.41Å; R81-E83 PolarHBondContact O-N 2.77Å; E83-V86 PolarHBondContact O-N 2.88Å; E83-K87 VanDerWaalsContact O-CB 3.27Å; E83-K87 WeakPolarHBondContact O-CB 3.22Å; E83-K87 PolarHBondContact O-N 2.69Å; E83-S102 PolarHBondContact O-OG 2.86Å; E83-Q103 WeakPolarHBondContact OE1-CA 3.16Å; E83-V104 HydrophobicContact CG-CG2 4.01Å; E83-V104 PolarHBondContact OE1-N 2.9Å; E83-M118 HydrophobicContact CG-CE 4.05Å; E83-R382 WeakPolarHBondContact OE1-CD 3.32Å; E83-R382 WeakPolarHBondContact OE2-CB 3.15Å; E83-R382 WeakPolarHBondContact OE2-CD 3.19Å; E83-R382 WeakPolarHBondContact OE2-CG 3.46Å
84	S	93.5	Very high	92.5	Very high	55 Å²	55	47.7 Å²	47.7	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-66.2	-40.1	173.4	-170	0	0	0	0	112.1	Q80 R81 L82 K87 N88	Q80-S84 VanDerWaalsContact O-CB 3.27Å; Q80-S84 WeakPolarHBondContact O-CB 3.37Å; Q80-S84 PolarHBondContact O-N 2.91Å; R81-S84 PolarHBondContact O-N 3.37Å; L82-S84 VanDerWaalsContact C-N 3.34Å; S84-K87 PolarHBondContact O-N 3.05Å; S84-N88 WeakPolarHBondContact O-CB 3.27Å; S84-N88 PolarHBondContact O-N 3.43Å; S84-N88 PolarHBondContact O-ND2 3.32Å; S84-N88 PolarHBondContact O-OD1 3.26Å
85	M	93.7	Very high	92.4	Very high	24 Å²	24	47.9 Å²	47.9	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-45.6	175.9	-69.1	169.8	83.4	0	0	111	R81 L82 N88 A89 L145 A148 V154	R81-M85 VanDerWaalsContact O-CG 3.29Å; R81-M85 WeakPolarHBondContact O-CG 3.43Å; R81-M85 PolarHBondContact O-N 2.71Å; L82-M85 HydrophobicContact CD2-SD 4.33Å; L82-M85 PolarHBondContact O-N 3.47Å; M85-N88 PolarHBondContact O-N 3.22Å; M85-A89 WeakPolarHBondContact O-CB 3.32Å; M85-A89 PolarHBondContact O-N 3.25Å; M85-L145 HydrophobicContact CB-CD2 4.15Å; M85-A148 HydrophobicContact CE-CB 3.5Å; M85-A148 VanDerWaalsContact CE-CB 3.5Å; M85-V154 HydrophobicContact CE-CB 4.34Å; M85-V154 HydrophobicContact CE-CG1 3.64Å; M85-V154 HydrophobicContact CE-CG2 3.75Å; M85-V154 HydrophobicContact SD-CG1 4.1Å
86	V	93.9	Very high	92.3	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.5	171.3	0	0	0	0	111.4	L82 E83 N88 A89 F90 F99 M118 L120 L141	L82-V86 WeakPolarHBondContact O-CG2 3.31Å; L82-V86 PolarHBondContact O-N 3.12Å; E83-V86 PolarHBondContact O-N 2.88Å; V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-N 3.44Å; V86-A89 WeakPolarHBondContact O-CB 3.21Å; V86-A89 PolarHBondContact O-N 2.98Å; V86-F90 HydrophobicContact CG1-CD2 4.11Å; V86-F90 HydrophobicContact CG1-CE2 4.05Å; V86-F90 WeakPolarHBondContact O-CD2 3.39Å; V86-F90 PolarHBondContact O-N 3.27Å; V86-F99 HydrophobicContact CG1-CE2 4.08Å; V86-F99 HydrophobicContact CG1-CZ 4.05Å; V86-M118 HydrophobicContact CB-CE 4.4Å; V86-M118 HydrophobicContact CG2-CE 3.83Å; V86-M118 HydrophobicContact CG2-SD 4.27Å; V86-L120 HydrophobicContact CG1-CD2 3.99Å; V86-L141 HydrophobicContact CG1-CD2 3.87Å; V86-L141 HydrophobicContact CG2-CD2 4.27Å
87	K	92.6	Very high	92.1	Very high	126 Å²	126	59.3 Å²	59.3	55%	0.548	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-46	176	-177.6	-177.6	-178.5	-176.6	0	111.7	E83 S84 F90 Y91 F99	E83-K87 VanDerWaalsContact O-CB 3.27Å; E83-K87 WeakPolarHBondContact O-CB 3.22Å; E83-K87 PolarHBondContact O-N 2.69Å; S84-K87 PolarHBondContact O-N 3.05Å; K87-F90 PolarHBondContact O-N 3.16Å; K87-Y91 WeakPolarHBondContact O-CB 3.27Å; K87-Y91 PolarHBondContact O-N 2.84Å; K87-F99 HydrophobicContact CB-CE1 4.01Å; K87-F99 HydrophobicContact CG-CE1 4.09Å
88	N	92.5	Very high	92	Very high	77 Å²	77	57.5 Å²	57.5	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-40.2	178.9	-69.9	-9.5	0	0	0	111.4	S84 M85 V86 F90 Y91 E92	S84-N88 WeakPolarHBondContact O-CB 3.27Å; S84-N88 PolarHBondContact O-N 3.43Å; S84-N88 PolarHBondContact O-ND2 3.32Å; S84-N88 PolarHBondContact O-OD1 3.26Å; M85-N88 PolarHBondContact O-N 3.22Å; V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-N 3.44Å; N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 3.13Å; N88-Y91 PolarHBondContact O-N 3.2Å; N88-E92 WeakPolarHBondContact O-CB 3.27Å; N88-E92 WeakPolarHBondContact O-CG 3.4Å; N88-E92 PolarHBondContact O-N 3.38Å
89	A	93.1	Very high	92	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-55.5	-42.9	174.8	0	0	0	0	0	112.5	M85 V86 K144 L145	M85-A89 WeakPolarHBondContact O-CB 3.32Å; M85-A89 PolarHBondContact O-N 3.25Å; V86-A89 WeakPolarHBondContact O-CB 3.21Å; V86-A89 PolarHBondContact O-N 2.98Å; A89-K144 HydrophobicContact CB-CB 3.61Å; A89-K144 WeakPolarHBondContact O-CG 3.2Å; A89-L145 HydrophobicContact CB-CD2 4.01Å; A89-L145 HydrophobicContact CB-CG 4.23Å
90	F	93.3	Very high	91.7	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-72.6	-37.8	173.5	-79.6	-81	0	0	0	113.1	V86 K87 N88 E92 S93 R96 F99 V137 V140 L141	V86-F90 HydrophobicContact CG1-CD2 4.11Å; V86-F90 HydrophobicContact CG1-CE2 4.05Å; V86-F90 WeakPolarHBondContact O-CD2 3.39Å; V86-F90 PolarHBondContact O-N 3.27Å; K87-F90 PolarHBondContact O-N 3.16Å; N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 3.13Å; F90-E92 VanDerWaalsContact C-N 3.3Å; F90-E92 PolarHBondContact O-N 2.76Å; F90-S93 WeakPolarHBondContact O-CB 3.45Å; F90-S93 PolarHBondContact O-N 3.28Å; F90-S93 PolarHBondContact O-OG 2.77Å; F90-R96 WeakPolarHBondContact O-CA 3.46Å; F90-F99 HydrophobicContact CB-CB 3.59Å; F90-F99 HydrophobicContact CB-CD1 4.13Å; F90-F99 HydrophobicContact CB-CD2 4.2Å; F90-F99 HydrophobicContact CB-CG 3.72Å; F90-F99 HydrophobicContact CD1-CB 3.86Å; F90-F99 HydrophobicContact CD1-CD2 4.15Å; F90-F99 HydrophobicContact CD1-CG 4.25Å; F90-F99 HydrophobicContact CD2-CB 4.25Å; F90-F99 HydrophobicContact CD2-CD1 4.43Å; F90-F99 AromaticContact CD2-CD2 3.3Å; F90-F99 HydrophobicContact CD2-CD2 3.3Å; F90-F99 AromaticContact CD2-CE2 3.61Å; F90-F99 HydrophobicContact CD2-CE2 3.61Å; F90-F99 AromaticContact CD2-CG 3.75Å; F90-F99 HydrophobicContact CD2-CG 3.75Å; F90-F99 HydrophobicContact CD2-CZ 4.27Å; F90-F99 HydrophobicContact CE1-CD2 4.41Å; F90-F99 AromaticContact CE2-CD2 3.63Å; F90-F99 HydrophobicContact CE2-CD2 3.63Å; F90-F99 AromaticContact CE2-CE2 3.81Å; F90-F99 HydrophobicContact CE2-CE2 3.81Å; F90-F99 HydrophobicContact CE2-CG 4.48Å; F90-F99 HydrophobicContact CG-CB 3.63Å; F90-F99 HydrophobicContact CG-CD1 4.42Å; F90-F99 AromaticContact CG-CD2 3.61Å; F90-F99 HydrophobicContact CG-CD2 3.61Å; F90-F99 HydrophobicContact CG-CE2 4.34Å; F90-F99 AromaticContact CG-CG 3.64Å; F90-F99 HydrophobicContact CG-CG 3.64Å; F90-F99 HydrophobicContact CZ-CD2 4.2Å; F90-V137 HydrophobicContact CZ-CG1 4.14Å; F90-V140 HydrophobicContact CD1-CB 4.45Å; F90-V140 HydrophobicContact CD1-CG1 3.71Å; F90-V140 HydrophobicContact CD2-CG1 4.47Å; F90-V140 HydrophobicContact CE1-CB 4.1Å; F90-V140 HydrophobicContact CE1-CG1 3.8Å; F90-V140 HydrophobicContact CG-CG1 4.05Å; F90-V140 HydrophobicContact CZ-CB 4.5Å; F90-V140 HydrophobicContact CZ-CG1 4.21Å; F90-L141 HydrophobicContact CE2-CD2 3.7Å; F90-L141 HydrophobicContact CE2-CG 4.12Å; F90-L141 HydrophobicContact CZ-CD2 4.31Å; F90-L141 HydrophobicContact CZ-CG 4.22Å
91	Y	91.6	Very high	91.6	Very high	157 Å²	157	61.7 Å²	61.7	62%	0.616	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-36.2	-179.9	-169.9	-99.7	0	0	0	113	K87 N88 S93 R96	K87-Y91 WeakPolarHBondContact O-CB 3.27Å; K87-Y91 PolarHBondContact O-N 2.84Å; N88-Y91 PolarHBondContact O-N 3.2Å; Y91-S93 PolarHBondContact O-N 3.47Å; Y91-R96 HydrophobicContact CD2-CB 4.39Å
92	E	90.5	Very high	91.6	Very high	112 Å²	112	57.5 Å²	57.5	52%	0.523	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	5.3	176	-66.1	177.5	-175.8	0	0	113.5	N88 F90 K144	N88-E92 WeakPolarHBondContact O-CB 3.27Å; N88-E92 WeakPolarHBondContact O-CG 3.4Å; N88-E92 PolarHBondContact O-N 3.38Å; F90-E92 VanDerWaalsContact C-N 3.3Å; F90-E92 PolarHBondContact O-N 2.76Å; E92-K144 HydrophobicContact CB-CD 4.26Å; E92-K144 VanDerWaalsContact O-CE 3.27Å; E92-K144 WeakPolarHBondContact O-CE 3.37Å; E92-K144 PolarHBondContact O-NZ 2.96Å
93	S	91.4	Very high	91.5	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.063	28%	0.281	C	S	.	.	S	Bend	trans	-107.8	164.3	175.8	84.9	0	0	0	0	111.2	F90 Y91 F95	F90-S93 WeakPolarHBondContact O-CB 3.45Å; F90-S93 PolarHBondContact O-N 3.28Å; F90-S93 PolarHBondContact O-OG 2.77Å; Y91-S93 PolarHBondContact O-N 3.47Å; S93-F95 PolarHBondContact O-N 3.16Å; S93-F95 PolarHBondContact OG-N 3.3Å
94	P	90.5	Very high	91.5	Very high	115 Å²	115	57.3 Å²	57.3	75%	0.747	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.7	169.8	-24.2	35.5	0	0	0	114.3
95	F	89.2	Confident	91.5	Very high	49 Å²	49	55.5 Å²	55.5	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	28.2	-171.8	-55.5	-76.1	0	0	0	114.2	S93 E97 E98 F99 F124 I136 V140	S93-F95 PolarHBondContact O-N 3.16Å; S93-F95 PolarHBondContact OG-N 3.3Å; F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 PolarHBondContact O-N 2.95Å; F95-E98 WeakPolarHBondContact CA-OE2 3.42Å; F95-E98 HydrophobicContact CB-CB 4.41Å; F95-E98 PolarHBondContact O-N 2.7Å; F95-F99 PolarHBondContact O-N 2.99Å; F95-F124 AromaticContact CD1-CE1 3.82Å; F95-F124 HydrophobicContact CD1-CE1 3.82Å; F95-F124 HydrophobicContact CD1-CZ 4.46Å; F95-F124 HydrophobicContact CE1-CE1 4.32Å; F95-I136 HydrophobicContact CD1-CG2 3.86Å; F95-I136 HydrophobicContact CD2-CG2 3.52Å; F95-I136 HydrophobicContact CE1-CD1 3.93Å; F95-I136 HydrophobicContact CE1-CG1 4.43Å; F95-I136 HydrophobicContact CE1-CG2 3.7Å; F95-I136 HydrophobicContact CE2-CB 4.46Å; F95-I136 HydrophobicContact CE2-CG1 4.41Å; F95-I136 HydrophobicContact CE2-CG2 3.36Å; F95-I136 HydrophobicContact CG-CG2 3.75Å; F95-I136 HydrophobicContact CZ-CB 4.33Å; F95-I136 HydrophobicContact CZ-CD1 3.85Å; F95-I136 HydrophobicContact CZ-CG1 3.93Å; F95-I136 HydrophobicContact CZ-CG2 3.45Å; F95-I136 VanDerWaalsContact CZ-CG2 3.45Å; F95-V140 HydrophobicContact CD2-CG2 3.68Å; F95-V140 HydrophobicContact CE2-CG2 4.26Å
96	R	88	Confident	91.5	Very high	140 Å²	140	59.3 Å²	59.3	53%	0.528	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28	-176.5	71.2	-177	-177.8	-162.2	-3	113.8	F90 Y91	F90-R96 WeakPolarHBondContact O-CA 3.46Å; Y91-R96 HydrophobicContact CD2-CB 4.39Å
97	E	86.9	Confident	91.5	Very high	117 Å²	117	59.6 Å²	59.6	55%	0.547	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.8	-177.9	-63.2	-169.2	-175.6	0	0	112.5	R47 F95	R47-E97 PolarHBondContact NH1-O 3.1Å; R47-E97 VanDerWaalsContact NH1-O 3.13Å; R47-E97 IonicContact NH2-OE2 3.31Å; F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 PolarHBondContact O-N 2.95Å
98	E	90	Very high	91.4	Very high	28 Å²	28	55.1 Å²	55.1	13%	0.131	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-28.7	179.1	-64.1	75.1	-173.3	0	0	110.5	F95 V100 C122 R123 F124	F95-E98 WeakPolarHBondContact CA-OE2 3.42Å; F95-E98 HydrophobicContact CB-CB 4.41Å; F95-E98 PolarHBondContact O-N 2.7Å; E98-V100 PolarHBondContact O-N 2.84Å; E98-C122 CarbonylContact O-C 3.55Å; E98-C122 WeakPolarHBondContact O-CA 3.12Å; E98-R123 WeakPolarHBondContact CA-O 3.39Å; E98-R123 PolarHBondContact O-N 2.87Å; E98-F124 HydrophobicContact CB-CD1 4.03Å; E98-F124 HydrophobicContact CB-CD2 4.36Å; E98-F124 HydrophobicContact CB-CE1 3.75Å; E98-F124 HydrophobicContact CB-CE2 4.11Å; E98-F124 HydrophobicContact CB-CG 4.33Å; E98-F124 HydrophobicContact CB-CZ 3.79Å; E98-F124 HydrophobicContact CG-CD1 3.66Å; E98-F124 HydrophobicContact CG-CE1 3.67Å; E98-F124 HydrophobicContact CG-CG 4.24Å; E98-F124 HydrophobicContact CG-CZ 4.25Å
99	F	91.5	Very high	91.2	Very high	26 Å²	26	58.5 Å²	58.5	11%	0.114	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.3	173.2	-177.2	-105.9	0	0	0	111.3	V86 K87 F90 F95 S102	V86-F99 HydrophobicContact CG1-CE2 4.08Å; V86-F99 HydrophobicContact CG1-CZ 4.05Å; K87-F99 HydrophobicContact CB-CE1 4.01Å; K87-F99 HydrophobicContact CG-CE1 4.09Å; F90-F99 HydrophobicContact CB-CB 3.59Å; F90-F99 HydrophobicContact CB-CD1 4.13Å; F90-F99 HydrophobicContact CB-CD2 4.2Å; F90-F99 HydrophobicContact CB-CG 3.72Å; F90-F99 HydrophobicContact CD1-CB 3.86Å; F90-F99 HydrophobicContact CD1-CD2 4.15Å; F90-F99 HydrophobicContact CD1-CG 4.25Å; F90-F99 HydrophobicContact CD2-CB 4.25Å; F90-F99 HydrophobicContact CD2-CD1 4.43Å; F90-F99 AromaticContact CD2-CD2 3.3Å; F90-F99 HydrophobicContact CD2-CD2 3.3Å; F90-F99 AromaticContact CD2-CE2 3.61Å; F90-F99 HydrophobicContact CD2-CE2 3.61Å; F90-F99 AromaticContact CD2-CG 3.75Å; F90-F99 HydrophobicContact CD2-CG 3.75Å; F90-F99 HydrophobicContact CD2-CZ 4.27Å; F90-F99 HydrophobicContact CE1-CD2 4.41Å; F90-F99 AromaticContact CE2-CD2 3.63Å; F90-F99 HydrophobicContact CE2-CD2 3.63Å; F90-F99 AromaticContact CE2-CE2 3.81Å; F90-F99 HydrophobicContact CE2-CE2 3.81Å; F90-F99 HydrophobicContact CE2-CG 4.48Å; F90-F99 HydrophobicContact CG-CB 3.63Å; F90-F99 HydrophobicContact CG-CD1 4.42Å; F90-F99 AromaticContact CG-CD2 3.61Å; F90-F99 HydrophobicContact CG-CD2 3.61Å; F90-F99 HydrophobicContact CG-CE2 4.34Å; F90-F99 AromaticContact CG-CG 3.64Å; F90-F99 HydrophobicContact CG-CG 3.64Å; F90-F99 HydrophobicContact CZ-CD2 4.2Å; F95-F99 PolarHBondContact O-N 2.99Å; F99-S102 VanDerWaalsContact CZ-N 3.27Å
100	V	89.4	Confident	90.8	Very high	66 Å²	66	62.3 Å²	62.3	40%	0.4	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-58.3	178.5	-178.2	0	0	0	0	110.3	E98 I121 R123	E98-V100 PolarHBondContact O-N 2.84Å; V100-I121 WeakPolarHBondContact CA-O 3.43Å; V100-I121 HydrophobicContact CB-CB 4.18Å; V100-I121 HydrophobicContact CB-CG2 3.94Å; V100-I121 VanDerWaalsContact CB-O 3.27Å; V100-I121 WeakPolarHBondContact CB-O 3.45Å; V100-I121 HydrophobicContact CG1-CG2 4.28Å; V100-I121 HydrophobicContact CG2-CG2 4.25Å; V100-I121 PolarHBondContact N-O 3.22Å; V100-R123 HydrophobicContact CG2-CB 3.63Å
101	K	89.9	Confident	90.1	Very high	71 Å²	71	71.6 Å²	71.6	31%	0.309	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	158.5	176.8	68.8	169.5	-167	161.5	0	112.8	I121	K101-I121 HydrophobicContact CD-CD1 4.24Å; K101-I121 VanDerWaalsContact CE-CD1 3.49Å; K101-I121 HydrophobicContact CG-CB 4.16Å; K101-I121 HydrophobicContact CG-CD1 3.86Å; K101-I121 HydrophobicContact CG-CG1 4.13Å; K101-I121 PolarHBondContact N-O 3.22Å; K101-I121 PolarHBondContact O-N 2.92Å
102	S	92.8	Very high	89.3	Confident	11 Å²	11	72.4 Å²	72.4	8%	0.077	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.6	163.8	56	0	0	0	0	109.3	E83 F99 L119	E83-S102 PolarHBondContact O-OG 2.86Å; F99-S102 VanDerWaalsContact CZ-N 3.27Å; S102-L119 CarbonylContact C-O 3.37Å; S102-L119 VanDerWaalsContact CA-O 3.26Å; S102-L119 WeakPolarHBondContact CA-O 3.41Å
103	Q	93.1	Very high	89	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.037	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	122	177.6	-174	177.7	-32.4	0	0	110.2	E83 M118 L119	E83-Q103 WeakPolarHBondContact OE1-CA 3.16Å; Q103-M118 CarbonylContact O-C 3.57Å; Q103-M118 VanDerWaalsContact O-CA 3.24Å; Q103-M118 WeakPolarHBondContact O-CA 3.45Å; Q103-L119 PolarHBondContact N-O 2.83Å; Q103-L119 PolarHBondContact O-N 3.2Å
104	V	94.9	Very high	89	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.024	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126	170	176.9	0	0	0	0	108.3	F75 S79 L82 E83 F107 H117 M118	F75-V104 HydrophobicContact CZ-CG1 4.36Å; S79-V104 WeakPolarHBondContact OG-CB 3.23Å; S79-V104 WeakPolarHBondContact OG-CG1 3.38Å; L82-V104 HydrophobicContact CB-CG2 4.28Å; E83-V104 HydrophobicContact CG-CG2 4.01Å; E83-V104 PolarHBondContact OE1-N 2.9Å; V104-F107 HydrophobicContact CG1-CD1 4.44Å; V104-F107 HydrophobicContact CG1-CE1 3.86Å; V104-F107 HydrophobicContact CG1-CE2 4.06Å; V104-F107 HydrophobicContact CG1-CZ 3.67Å; V104-H117 WeakPolarHBondContact CA-O 3.23Å; V104-M118 HydrophobicContact CB-CG 4.49Å; V104-M118 HydrophobicContact CG2-CE 3.81Å; V104-M118 HydrophobicContact CG2-CG 3.81Å; V104-M118 HydrophobicContact CG2-SD 4.22Å
105	I	93.2	Very high	89.1	Confident	17 Å²	17	64 Å²	64	9%	0.087	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-27.3	-179.7	55.1	165.3	0	0	0	112.6	Y53 H117 L119 Y172	Y53-I105 HydrophobicContact CE2-CD1 4.05Å; I105-H117 HydrophobicContact CD1-CB 4.42Å; I105-H117 HydrophobicContact CG1-CB 4.01Å; I105-H117 VanDerWaalsContact CG1-O 3.22Å; I105-H117 WeakPolarHBondContact CG1-O 3.32Å; I105-H117 PolarHBondContact N-O 2.75Å; I105-L119 HydrophobicContact CD1-CD2 4.48Å; I105-L119 HydrophobicContact CD1-CG 4.4Å; I105-L119 HydrophobicContact CG2-CD1 3.61Å; I105-L119 HydrophobicContact CG2-CG 3.77Å; I105-Y172 HydrophobicContact CD1-CD1 3.82Å; I105-Y172 HydrophobicContact CD1-CE1 4.41Å; I105-Y172 HydrophobicContact CD1-CG 4.16Å
106	K	93.1	Very high	89.4	Confident	104 Å²	104	61.6 Å²	61.6	45%	0.452	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	164	173.8	62.8	176	-174.7	177.5	0	111.2	H117	K106-H117 HydrophobicContact CG-CB 3.72Å; K106-H117 PolarHBondContact O-N 3.04Å
107	F	93.6	Very high	89.8	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.044	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.1	164.4	-62.3	-69.8	0	0	0	110	F58 Y64 F67 F75 M78 L82 V104 V114 L115 A116	F58-F107 AromaticContact CE1-CD1 3.64Å; F58-F107 HydrophobicContact CE1-CD1 3.64Å; F58-F107 AromaticContact CE1-CE1 3.59Å; F58-F107 HydrophobicContact CE1-CE1 3.59Å; F58-F107 AromaticContact CZ-CD1 3.79Å; F58-F107 HydrophobicContact CZ-CD1 3.79Å; F58-F107 AromaticContact CZ-CE1 3.68Å; F58-F107 HydrophobicContact CZ-CE1 3.68Å; Y64-F107 HydrophobicContact CE2-CB 4.09Å; Y64-F107 PolarHBondContact OH-O 2.93Å; F67-F107 HydrophobicContact CB-CB 4.15Å; F67-F107 HydrophobicContact CB-CD2 3.63Å; F67-F107 HydrophobicContact CB-CE2 4.35Å; F67-F107 HydrophobicContact CB-CG 4.1Å; F67-F107 HydrophobicContact CG-CD2 4.24Å; F75-F107 AromaticContact CD2-CD2 3.36Å; F75-F107 HydrophobicContact CD2-CD2 3.36Å; F75-F107 AromaticContact CD2-CE2 3.44Å; F75-F107 HydrophobicContact CD2-CE2 3.44Å; F75-F107 VanDerWaalsContact CD2-CE2 3.44Å; F75-F107 AromaticContact CE2-CD2 3.41Å; F75-F107 HydrophobicContact CE2-CD2 3.41Å; F75-F107 VanDerWaalsContact CE2-CD2 3.41Å; F75-F107 AromaticContact CE2-CE2 3.57Å; F75-F107 HydrophobicContact CE2-CE2 3.57Å; F75-F107 HydrophobicContact CE2-CG 4.5Å; F75-F107 HydrophobicContact CG-CD2 4.37Å; F75-F107 HydrophobicContact CG-CE2 4.06Å; F75-F107 HydrophobicContact CZ-CD2 4.46Å; F75-F107 HydrophobicContact CZ-CE2 4.29Å; M78-F107 HydrophobicContact CB-CE2 4.43Å; M78-F107 HydrophobicContact CB-CZ 4.08Å; M78-F107 HydrophobicContact CG-CE1 4.22Å; M78-F107 HydrophobicContact CG-CE2 4.46Å; M78-F107 HydrophobicContact CG-CZ 3.78Å; L82-F107 HydrophobicContact CD1-CE1 3.59Å; L82-F107 HydrophobicContact CD1-CZ 4.08Å; V104-F107 HydrophobicContact CG1-CD1 4.44Å; V104-F107 HydrophobicContact CG1-CE1 3.86Å; V104-F107 HydrophobicContact CG1-CE2 4.06Å; V104-F107 HydrophobicContact CG1-CZ 3.67Å; F107-V114 HydrophobicContact CB-CG1 3.8Å; F107-V114 HydrophobicContact CD1-CG1 3.95Å; F107-V114 HydrophobicContact CG-CG1 4.17Å; F107-L115 CarbonylContact C-O 3.58Å; F107-L115 WeakPolarHBondContact CA-O 3.15Å; F107-A116 HydrophobicContact CD1-CB 3.99Å; F107-A116 HydrophobicContact CE1-CB 3.8Å
108	S	92	Very high	90.2	Very high	31 Å²	31	50.1 Å²	50.1	22%	0.217	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.3	168.1	68.7	0	0	0	0	111.3	L115 H117	S108-L115 PolarHBondContact N-O 2.86Å; S108-L115 PolarHBondContact O-N 2.81Å; S108-H117 WeakPolarHBondContact CB-NE2 3.48Å; S108-H117 PolarHBondContact OG-NE2 2.87Å
109	Q	88.3	Confident	90.4	Very high	148 Å²	148	49 Å²	49	69%	0.692	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.8	179.5	-170.9	174.5	5.3	0	0	111	Y64	Y64-Q109 HydrophobicContact CD1-CB 3.95Å; Y64-Q109 HydrophobicContact CD1-CG 4.46Å; Y64-Q109 HydrophobicContact CD2-CB 4.33Å; Y64-Q109 HydrophobicContact CE1-CB 4.07Å; Y64-Q109 HydrophobicContact CE2-CB 4.44Å; Y64-Q109 HydrophobicContact CG-CB 4.08Å; Y64-Q109 HydrophobicContact CG-CG 4.47Å
110	Q	83.8	Confident	90.6	Very high	84 Å²	84	47.8 Å²	47.8	39%	0.393	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.6	174.9	-163.7	176.1	11.3	0	0	109.8	S57 H112 G113 L115	S57-Q110 PolarHBondContact OG-OE1 2.84Å; Q110-H112 PolarHBondContact O-N 2.82Å; Q110-G113 PolarHBondContact N-O 2.91Å; Q110-G113 VanDerWaalsContact N-O 3.12Å; Q110-G113 PolarHBondContact O-N 3.44Å; Q110-L115 HydrophobicContact CB-CB 4.47Å
111	K	77.7	Confident	90.7	Very high	196 Å²	196	45.8 Å²	45.8	85%	0.852	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.1	-173.3	-90.9	-175.6	174.2	-179.8	0	115
112	H	75.2	Confident	90.8	Very high	174 Å²	174	42.4 Å²	42.4	81%	0.806	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.9	36.6	-177.1	-59.2	103.2	0	0	0	112.6	Q110	Q110-H112 PolarHBondContact O-N 2.82Å
113	G	84.5	Confident	90.7	Very high	26 Å²	26	47.3 Å²	47.3	27%	0.268	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161	-154.6	178.8	0	0	0	0	0	113.5	Q110	Q110-G113 PolarHBondContact N-O 2.91Å; Q110-G113 VanDerWaalsContact N-O 3.12Å; Q110-G113 PolarHBondContact O-N 3.44Å
114	V	91.7	Very high	90.5	Very high	5 Å²	5	47 Å²	47	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.9	178.2	-176.9	0	0	0	0	108.9	S57 F58 T60 Y64 F67 F107	S57-V114 WeakPolarHBondContact CA-O 3.45Å; F58-V114 HydrophobicContact CD1-CB 4.3Å; F58-V114 VanDerWaalsContact CD1-O 3.31Å; F58-V114 WeakPolarHBondContact CD1-O 3.4Å; F58-V114 HydrophobicContact CE1-CB 3.7Å; F58-V114 HydrophobicContact CE1-CG1 3.59Å; F58-V114 HydrophobicContact CE2-CB 3.98Å; F58-V114 HydrophobicContact CE2-CG1 4.37Å; F58-V114 HydrophobicContact CZ-CB 3.54Å; F58-V114 HydrophobicContact CZ-CG1 3.48Å; F58-V114 VanDerWaalsContact CZ-CG1 3.48Å; F58-V114 HydrophobicContact CZ-CG2 4.37Å; F58-V114 PolarHBondContact N-O 3.49Å; F58-V114 PolarHBondContact O-N 3.09Å; T60-V114 HydrophobicContact CG2-CG2 4.23Å; Y64-V114 HydrophobicContact CD2-CG1 4.03Å; Y64-V114 HydrophobicContact CD2-CG2 4.24Å; Y64-V114 HydrophobicContact CE2-CG1 4.49Å; F67-V114 HydrophobicContact CD2-CG2 4.44Å; F67-V114 HydrophobicContact CE2-CG2 4.43Å; F107-V114 HydrophobicContact CB-CG1 3.8Å; F107-V114 HydrophobicContact CD1-CG1 3.95Å; F107-V114 HydrophobicContact CG-CG1 4.17Å
115	L	93.6	Very high	89.9	Confident	28 Å²	28	48.4 Å²	48.4	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.9	175.9	-170	69	0	0	0	109.3	T55 S57 F107 S108 Q110	T55-L115 HydrophobicContact CG2-CD2 4.31Å; S57-L115 WeakPolarHBondContact OG-CD1 3.32Å; F107-L115 CarbonylContact C-O 3.58Å; F107-L115 WeakPolarHBondContact CA-O 3.15Å; S108-L115 PolarHBondContact N-O 2.86Å; S108-L115 PolarHBondContact O-N 2.81Å; Q110-L115 HydrophobicContact CB-CB 4.47Å
116	A	94.8	Very high	89	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.8	170.7	0	0	0	0	0	109.9	T55 L56 F58 L82 F107 M118	T55-A116 VanDerWaalsContact CA-O 3.26Å; T55-A116 WeakPolarHBondContact CA-O 3.15Å; L56-A116 PolarHBondContact N-O 3.16Å; L56-A116 WeakPolarHBondContact O-CB 3.46Å; L56-A116 PolarHBondContact O-N 3.12Å; F58-A116 HydrophobicContact CD1-CB 4.23Å; F58-A116 HydrophobicContact CE1-CB 3.99Å; L82-A116 HydrophobicContact CD1-CB 3.78Å; F107-A116 HydrophobicContact CD1-CB 3.99Å; F107-A116 HydrophobicContact CE1-CB 3.8Å; A116-M118 HydrophobicContact CB-CG 4.34Å
117	H	95.5	Very high	88.1	Confident	15 Å²	15	49.7 Å²	49.7	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.1	170.4	-59.7	-91.2	0	0	0	108.6	Y53 V104 I105 K106 S108	Y53-H117 HydrophobicContact CE2-CB 4.44Å; Y53-H117 AromaticContact CZ-ND1 3.6Å; Y53-H117 PolarHBondContact OH-ND1 3.37Å; V104-H117 WeakPolarHBondContact CA-O 3.23Å; I105-H117 HydrophobicContact CD1-CB 4.42Å; I105-H117 HydrophobicContact CG1-CB 4.01Å; I105-H117 VanDerWaalsContact CG1-O 3.22Å; I105-H117 WeakPolarHBondContact CG1-O 3.32Å; I105-H117 PolarHBondContact N-O 2.75Å; K106-H117 HydrophobicContact CG-CB 3.72Å; K106-H117 PolarHBondContact O-N 3.04Å; S108-H117 WeakPolarHBondContact CB-NE2 3.48Å; S108-H117 PolarHBondContact OG-NE2 2.87Å
118	M	95.7	Very high	87.3	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.1	-170	-56.8	178.7	79	0	0	111.4	S54 E83 V86 Q103 V104 A116 L120	S54-M118 PolarHBondContact N-O 3.18Å; S54-M118 PolarHBondContact O-N 3.44Å; E83-M118 HydrophobicContact CG-CE 4.05Å; V86-M118 HydrophobicContact CB-CE 4.4Å; V86-M118 HydrophobicContact CG2-CE 3.83Å; V86-M118 HydrophobicContact CG2-SD 4.27Å; Q103-M118 CarbonylContact O-C 3.57Å; Q103-M118 VanDerWaalsContact O-CA 3.24Å; Q103-M118 WeakPolarHBondContact O-CA 3.45Å; V104-M118 HydrophobicContact CB-CG 4.49Å; V104-M118 HydrophobicContact CG2-CE 3.81Å; V104-M118 HydrophobicContact CG2-CG 3.81Å; V104-M118 HydrophobicContact CG2-SD 4.22Å; A116-M118 HydrophobicContact CB-CG 4.34Å; M118-L120 HydrophobicContact CB-CD2 4.49Å
119	L	95.3	Very high	87	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.6	164.6	-61.2	172.9	0	0	0	108.2	Y52 Y53 S102 Q103 I105 I164 I169 Y172 L173	Y52-L119 CarbonylContact O-C 3.55Å; Y52-L119 WeakPolarHBondContact O-CA 3.41Å; Y53-L119 HydrophobicContact CD2-CD2 4.41Å; S102-L119 CarbonylContact C-O 3.37Å; S102-L119 VanDerWaalsContact CA-O 3.26Å; S102-L119 WeakPolarHBondContact CA-O 3.41Å; Q103-L119 PolarHBondContact N-O 2.83Å; Q103-L119 PolarHBondContact O-N 3.2Å; I105-L119 HydrophobicContact CD1-CD2 4.48Å; I105-L119 HydrophobicContact CD1-CG 4.4Å; I105-L119 HydrophobicContact CG2-CD1 3.61Å; I105-L119 HydrophobicContact CG2-CG 3.77Å; L119-I164 HydrophobicContact CD2-CD1 3.86Å; L119-I169 HydrophobicContact CB-CD1 4.46Å; L119-I169 HydrophobicContact CD1-CG1 3.98Å; L119-I169 HydrophobicContact CD2-CG1 4.28Å; L119-Y172 HydrophobicContact CD2-CD2 3.84Å; L119-Y172 HydrophobicContact CD2-CG 4.16Å; L119-L173 HydrophobicContact CD1-CD2 3.56Å; L119-L173 HydrophobicContact CD1-CG 3.77Å
120	L	94.8	Very high	86.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	173.3	-45.7	173.4	0	0	0	108.9	N51 Y52 V86 M118 V137 L141 I161	N51-L120 WeakPolarHBondContact CA-O 3.34Å; Y52-L120 PolarHBondContact N-O 2.85Å; Y52-L120 PolarHBondContact O-N 2.85Å; V86-L120 HydrophobicContact CG1-CD2 3.99Å; M118-L120 HydrophobicContact CB-CD2 4.49Å; L120-V137 HydrophobicContact CD1-CG1 4.46Å; L120-L141 HydrophobicContact CD1-CD1 3.72Å; L120-I161 HydrophobicContact CD1-CG2 4.32Å
121	I	92.3	Very high	87	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.8	177	-53.5	-176.7	0	0	0	107.3	T49 V100 K101 I169	T49-I121 HydrophobicContact CG2-CG2 3.6Å; V100-I121 WeakPolarHBondContact CA-O 3.43Å; V100-I121 HydrophobicContact CB-CB 4.18Å; V100-I121 HydrophobicContact CB-CG2 3.94Å; V100-I121 VanDerWaalsContact CB-O 3.27Å; V100-I121 WeakPolarHBondContact CB-O 3.45Å; V100-I121 HydrophobicContact CG1-CG2 4.28Å; V100-I121 HydrophobicContact CG2-CG2 4.25Å; V100-I121 PolarHBondContact N-O 3.22Å; K101-I121 HydrophobicContact CD-CD1 4.24Å; K101-I121 VanDerWaalsContact CE-CD1 3.49Å; K101-I121 HydrophobicContact CG-CB 4.16Å; K101-I121 HydrophobicContact CG-CD1 3.86Å; K101-I121 HydrophobicContact CG-CG1 4.13Å; K101-I121 PolarHBondContact N-O 3.22Å; K101-I121 PolarHBondContact O-N 2.92Å; I121-I169 HydrophobicContact CD1-CD1 3.84Å; I121-I169 HydrophobicContact CG1-CD1 3.77Å
122	C	91.4	Very high	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.7	174.3	-52.8	0	0	0	0	110.2	T49 Y50 E98 F124	T49-C122 CarbonylContact C-O 3.49Å; T49-C122 WeakPolarHBondContact CA-O 3.22Å; Y50-C122 PolarHBondContact N-O 2.78Å; Y50-C122 PolarHBondContact O-N 3.48Å; E98-C122 CarbonylContact O-C 3.55Å; E98-C122 WeakPolarHBondContact O-CA 3.12Å; C122-F124 HydrophobicContact CB-CD2 3.87Å; C122-F124 HydrophobicContact CB-CE2 3.43Å; C122-F124 VanDerWaalsContact CB-CE2 3.43Å
123	R	90.9	Very high	88.2	Confident	114 Å²	114	37.3 Å²	37.3	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	99.6	-176.4	-179.6	-177.1	-65.1	162.4	4.1	109	R47 K48 E98 V100	R47-R123 HydrophobicContact CB-CG 3.43Å; R47-R123 VanDerWaalsContact CB-CG 3.43Å; R47-R123 HydrophobicContact CG-CG 4.26Å; K48-R123 WeakPolarHBondContact O-CA 3.48Å; E98-R123 WeakPolarHBondContact CA-O 3.39Å; E98-R123 PolarHBondContact O-N 2.87Å; V100-R123 HydrophobicContact CG2-CB 3.63Å
124	F	88.4	Confident	88.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	166.2	-179	-72.5	-92.2	0	0	0	111.1	R47 K48 Y50 F95 E98 C122 E128 I133 I136 V137	R47-F124 CarbonylContact C-O 3.5Å; R47-F124 VanDerWaalsContact CA-O 3.3Å; R47-F124 WeakPolarHBondContact CA-O 3.44Å; K48-F124 PolarHBondContact N-O 3.12Å; K48-F124 PolarHBondContact O-N 2.79Å; K48-F124 VanDerWaalsContact O-N 3.12Å; Y50-F124 HydrophobicContact CD2-CB 4.15Å; Y50-F124 HydrophobicContact CD2-CD2 4.13Å; Y50-F124 HydrophobicContact CE2-CB 3.93Å; F95-F124 AromaticContact CD1-CE1 3.82Å; F95-F124 HydrophobicContact CD1-CE1 3.82Å; F95-F124 HydrophobicContact CD1-CZ 4.46Å; F95-F124 HydrophobicContact CE1-CE1 4.32Å; E98-F124 HydrophobicContact CB-CD1 4.03Å; E98-F124 HydrophobicContact CB-CD2 4.36Å; E98-F124 HydrophobicContact CB-CE1 3.75Å; E98-F124 HydrophobicContact CB-CE2 4.11Å; E98-F124 HydrophobicContact CB-CG 4.33Å; E98-F124 HydrophobicContact CB-CZ 3.79Å; E98-F124 HydrophobicContact CG-CD1 3.66Å; E98-F124 HydrophobicContact CG-CE1 3.67Å; E98-F124 HydrophobicContact CG-CG 4.24Å; E98-F124 HydrophobicContact CG-CZ 4.25Å; C122-F124 HydrophobicContact CB-CD2 3.87Å; C122-F124 HydrophobicContact CB-CE2 3.43Å; C122-F124 VanDerWaalsContact CB-CE2 3.43Å; F124-E128 WeakPolarHBondContact CD1-OE2 3.48Å; F124-I133 HydrophobicContact CB-CD1 3.85Å; F124-I133 HydrophobicContact CB-CG1 4.37Å; F124-I133 HydrophobicContact CD1-CG1 4.36Å; F124-I133 HydrophobicContact CD2-CD1 4.42Å; F124-I133 HydrophobicContact CD2-CG1 4.45Å; F124-I133 HydrophobicContact CD2-CG2 3.52Å; F124-I133 HydrophobicContact CE1-CG2 4.49Å; F124-I133 HydrophobicContact CE2-CG2 3.49Å; F124-I133 VanDerWaalsContact CE2-CG2 3.49Å; F124-I133 HydrophobicContact CG-CD1 4.11Å; F124-I133 HydrophobicContact CG-CG1 4.16Å; F124-I133 HydrophobicContact CG-CG2 4.06Å; F124-I133 HydrophobicContact CZ-CG2 4.02Å; F124-I136 HydrophobicContact CE1-CG2 4.4Å; F124-I136 HydrophobicContact CZ-CG2 4.29Å; F124-V137 HydrophobicContact CE2-CG2 4.18Å; F124-V137 HydrophobicContact CZ-CG2 4.31Å
125	H	83.3	Confident	88.5	Confident	35 Å²	35	44.1 Å²	44.1	16%	0.162	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.9	173.2	-74.5	-85	0	0	0	111	Y44 T127 E128	Y44-H125 PolarHBondContact O-ND1 3.06Å; H125-T127 PolarHBondContact O-N 2.88Å; H125-E128 PolarHBondContact O-N 3.16Å
126	S	73.8	Confident	88.4	Confident	55 Å²	55	43.7 Å²	43.7	39%	0.385	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.6	-175.4	-169.9	0	0	0	0	114.2	Q46	Q46-S126 VanDerWaalsContact O-CB 3.31Å; Q46-S126 WeakPolarHBondContact O-CB 3.21Å; Q46-S126 PolarHBondContact O-N 2.97Å
127	T	73	Confident	88.3	Confident	93 Å²	93	43.7 Å²	43.7	57%	0.571	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.4	178.6	50.6	0	0	0	0	113.6	H125	H125-T127 PolarHBondContact O-N 2.88Å
128	E	78.5	Confident	88.2	Confident	60 Å²	60	47.2 Å²	47.2	28%	0.28	24%	0.24	S	C	.	.	S	Bend	trans	-77.5	142.5	-178.9	-73.3	-178	-155.1	0	0	112.6	F124 H125 I133	F124-E128 WeakPolarHBondContact CD1-OE2 3.48Å; H125-E128 PolarHBondContact O-N 3.16Å; E128-I133 HydrophobicContact CB-CD1 3.79Å; E128-I133 HydrophobicContact CB-CG1 3.98Å; E128-I133 WeakPolarHBondContact OE2-CG1 3.36Å
129	D	85.4	Confident	88.1	Confident	78 Å²	78	53.7 Å²	53.7	42%	0.417	26%	0.264	S	S	.	.			trans	-68.7	127.6	176.7	166	61.1	0	0	0	111.2	E131 T132 I133	D129-E131 VanDerWaalsContact C-N 3.31Å; D129-E131 PolarHBondContact O-N 3.49Å; D129-E131 WeakPolarHBondContact OD2-CB 3.24Å; D129-E131 PolarHBondContact OD2-N 3.39Å; D129-T132 WeakPolarHBondContact O-CB 3.48Å; D129-T132 PolarHBondContact O-N 3.48Å; D129-T132 VanDerWaalsContact O-N 3.16Å; D129-T132 WeakPolarHBondContact OD2-CB 3.26Å; D129-T132 PolarHBondContact OD2-N 2.79Å; D129-T132 PolarHBondContact OD2-OG1 3.31Å; D129-I133 WeakPolarHBondContact O-CG1 3.3Å; D129-I133 PolarHBondContact O-N 3.39Å
130	P	83.7	Confident	88.1	Confident	48 Å²	48	53.9 Å²	53.9	31%	0.312	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-33.2	-178.4	-28.2	36.3	0	0	0	115.7	Y50 N134	Y50-P130 HydrophobicContact CE1-CB 4.5Å; P130-N134 PolarHBondContact O-N 2.8Å; P130-N134 VanDerWaalsContact O-N 3.12Å; P130-N134 PolarHBondContact O-ND2 3.16Å; P130-N134 PolarHBondContact O-OD1 2.82Å
131	E	87.9	Confident	88	Confident	129 Å²	129	53.9 Å²	53.9	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-71.1	-38.5	178.2	-66.5	-175.3	-179.1	0	0	111.2	D129 N134 K135	D129-E131 VanDerWaalsContact C-N 3.31Å; D129-E131 PolarHBondContact O-N 3.49Å; D129-E131 WeakPolarHBondContact OD2-CB 3.24Å; D129-E131 PolarHBondContact OD2-N 3.39Å; E131-N134 PolarHBondContact O-N 2.89Å; E131-K135 WeakPolarHBondContact O-CG 3.15Å; E131-K135 PolarHBondContact O-N 3.22Å
132	T	88.8	Confident	88	Confident	68 Å²	68	55.3 Å²	55.3	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-45.8	173.9	-57.5	0	0	0	0	111	D129 N134 K135 I136	D129-T132 WeakPolarHBondContact O-CB 3.48Å; D129-T132 PolarHBondContact O-N 3.48Å; D129-T132 VanDerWaalsContact O-N 3.16Å; D129-T132 WeakPolarHBondContact OD2-CB 3.26Å; D129-T132 PolarHBondContact OD2-N 2.79Å; D129-T132 PolarHBondContact OD2-OG1 3.31Å; T132-N134 VanDerWaalsContact C-N 3.34Å; T132-N134 PolarHBondContact O-N 3.24Å; T132-K135 PolarHBondContact O-N 3.24Å; T132-I136 HydrophobicContact CG2-CD1 4.06Å; T132-I136 WeakPolarHBondContact O-CG1 3.47Å; T132-I136 PolarHBondContact O-N 3.44Å
133	I	89.1	Confident	88	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-44.2	175.4	-63.9	168.6	0	0	0	111.1	Y50 Y52 F124 E128 D129 K135 I136 V137	Y50-I133 HydrophobicContact CD1-CD1 4.26Å; Y50-I133 HydrophobicContact CD2-CD1 4.12Å; Y50-I133 HydrophobicContact CE1-CD1 3.7Å; Y50-I133 HydrophobicContact CE2-CD1 3.52Å; Y50-I133 HydrophobicContact CG-CD1 4.46Å; Y50-I133 HydrophobicContact CG-CG2 4.43Å; Y50-I133 WeakPolarHBondContact OH-CD1 3.37Å; Y52-I133 WeakPolarHBondContact OH-CG2 3.4Å; F124-I133 HydrophobicContact CB-CD1 3.85Å; F124-I133 HydrophobicContact CB-CG1 4.37Å; F124-I133 HydrophobicContact CD1-CG1 4.36Å; F124-I133 HydrophobicContact CD2-CD1 4.42Å; F124-I133 HydrophobicContact CD2-CG1 4.45Å; F124-I133 HydrophobicContact CD2-CG2 3.52Å; F124-I133 HydrophobicContact CE1-CG2 4.49Å; F124-I133 HydrophobicContact CE2-CG2 3.49Å; F124-I133 VanDerWaalsContact CE2-CG2 3.49Å; F124-I133 HydrophobicContact CG-CD1 4.11Å; F124-I133 HydrophobicContact CG-CG1 4.16Å; F124-I133 HydrophobicContact CG-CG2 4.06Å; F124-I133 HydrophobicContact CZ-CG2 4.02Å; E128-I133 HydrophobicContact CB-CD1 3.79Å; E128-I133 HydrophobicContact CB-CG1 3.98Å; E128-I133 WeakPolarHBondContact OE2-CG1 3.36Å; D129-I133 WeakPolarHBondContact O-CG1 3.3Å; D129-I133 PolarHBondContact O-N 3.39Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 3.17Å; I133-I136 WeakPolarHBondContact O-CB 3.36Å; I133-I136 PolarHBondContact O-N 3.48Å; I133-V137 HydrophobicContact CG2-CG2 4.33Å; I133-V137 WeakPolarHBondContact O-CG2 3.27Å; I133-V137 PolarHBondContact O-N 3.06Å
134	N	90.8	Very high	88.1	Confident	44 Å²	44	57.4 Å²	57.4	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-45.7	177.8	-64.5	-11.3	0	0	0	111.2	Y52 P130 E131 T132 I136 V137 Q138 I161	Y52-N134 WeakPolarHBondContact CE1-OD1 3.32Å; Y52-N134 PolarHBondContact OH-OD1 3.38Å; P130-N134 PolarHBondContact O-N 2.8Å; P130-N134 VanDerWaalsContact O-N 3.12Å; P130-N134 PolarHBondContact O-ND2 3.16Å; P130-N134 PolarHBondContact O-OD1 2.82Å; E131-N134 PolarHBondContact O-N 2.89Å; T132-N134 VanDerWaalsContact C-N 3.34Å; T132-N134 PolarHBondContact O-N 3.24Å; N134-I136 VanDerWaalsContact C-N 3.31Å; N134-I136 PolarHBondContact O-N 2.83Å; N134-V137 PolarHBondContact O-N 3.3Å; N134-Q138 WeakPolarHBondContact O-CB 3.43Å; N134-Q138 PolarHBondContact O-N 3.07Å; N134-I161 WeakPolarHBondContact O-CD1 3.39Å
135	K	92	Very high	88.2	Confident	129 Å²	129	57.6 Å²	57.6	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-61.9	-38.8	177	-71.2	174.1	-175.6	170.9	0	111.8	E131 T132 I133 R139	E131-K135 WeakPolarHBondContact O-CG 3.15Å; E131-K135 PolarHBondContact O-N 3.22Å; T132-K135 PolarHBondContact O-N 3.24Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 3.17Å; K135-R139 WeakPolarHBondContact O-CB 3.39Å; K135-R139 PolarHBondContact O-N 2.86Å
136	I	92	Very high	88.4	Confident	20 Å²	20	61 Å²	61	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-54.7	175.6	-73.5	164.5	0	0	0	110.7	F95 F124 T132 I133 N134 Q138 R139 V140	F95-I136 HydrophobicContact CD1-CG2 3.86Å; F95-I136 HydrophobicContact CD2-CG2 3.52Å; F95-I136 HydrophobicContact CE1-CD1 3.93Å; F95-I136 HydrophobicContact CE1-CG1 4.43Å; F95-I136 HydrophobicContact CE1-CG2 3.7Å; F95-I136 HydrophobicContact CE2-CB 4.46Å; F95-I136 HydrophobicContact CE2-CG1 4.41Å; F95-I136 HydrophobicContact CE2-CG2 3.36Å; F95-I136 HydrophobicContact CG-CG2 3.75Å; F95-I136 HydrophobicContact CZ-CB 4.33Å; F95-I136 HydrophobicContact CZ-CD1 3.85Å; F95-I136 HydrophobicContact CZ-CG1 3.93Å; F95-I136 HydrophobicContact CZ-CG2 3.45Å; F95-I136 VanDerWaalsContact CZ-CG2 3.45Å; F124-I136 HydrophobicContact CE1-CG2 4.4Å; F124-I136 HydrophobicContact CZ-CG2 4.29Å; T132-I136 HydrophobicContact CG2-CD1 4.06Å; T132-I136 WeakPolarHBondContact O-CG1 3.47Å; T132-I136 PolarHBondContact O-N 3.44Å; I133-I136 WeakPolarHBondContact O-CB 3.36Å; I133-I136 PolarHBondContact O-N 3.48Å; N134-I136 VanDerWaalsContact C-N 3.31Å; N134-I136 PolarHBondContact O-N 2.83Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 2.8Å; I136-R139 PolarHBondContact O-N 2.93Å; I136-V140 HydrophobicContact CG2-CG2 4.42Å; I136-V140 WeakPolarHBondContact O-CG2 3.5Å; I136-V140 PolarHBondContact O-N 2.82Å
137	V	92.6	Very high	88.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-45.5	-178.8	169.9	0	0	0	0	110.7	Y52 F90 L120 F124 I133 N134 L141 I161	Y52-V137 HydrophobicContact CE2-CG2 4.21Å; F90-V137 HydrophobicContact CZ-CG1 4.14Å; L120-V137 HydrophobicContact CD1-CG1 4.46Å; F124-V137 HydrophobicContact CE2-CG2 4.18Å; F124-V137 HydrophobicContact CZ-CG2 4.31Å; I133-V137 HydrophobicContact CG2-CG2 4.33Å; I133-V137 WeakPolarHBondContact O-CG2 3.27Å; I133-V137 PolarHBondContact O-N 3.06Å; N134-V137 PolarHBondContact O-N 3.3Å; V137-L141 HydrophobicContact CG1-CD1 4.2Å; V137-L141 WeakPolarHBondContact O-CG 3.23Å; V137-L141 PolarHBondContact O-N 2.62Å; V137-L141 VanDerWaalsContact O-N 3.16Å; V137-I161 HydrophobicContact CB-CD1 3.98Å; V137-I161 HydrophobicContact CG1-CD1 3.74Å; V137-I161 HydrophobicContact CG1-CG2 4.48Å
138	Q	93.5	Very high	89.4	Confident	88 Å²	88	60.9 Å²	60.9	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-44.1	179.1	-169.7	166.1	-0.7	0	0	111.9	N134 I136 L141 H142 I161	N134-Q138 WeakPolarHBondContact O-CB 3.43Å; N134-Q138 PolarHBondContact O-N 3.07Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 2.8Å; Q138-L141 PolarHBondContact O-N 3.21Å; Q138-H142 VanDerWaalsContact O-CB 3.25Å; Q138-H142 WeakPolarHBondContact O-CB 3.38Å; Q138-H142 PolarHBondContact O-N 2.9Å; Q138-I161 HydrophobicContact CB-CD1 3.79Å; Q138-I161 HydrophobicContact CB-CG1 4.26Å
139	R	93.4	Very high	89.4	Confident	137 Å²	137	64.9 Å²	64.9	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-47.8	177.9	-174.3	-171	-55.2	152.4	2.6	111.7	K135 I136 L141 H142 E143	K135-R139 WeakPolarHBondContact O-CB 3.39Å; K135-R139 PolarHBondContact O-N 2.86Å; I136-R139 PolarHBondContact O-N 2.93Å; R139-L141 PolarHBondContact O-N 3.44Å; R139-H142 PolarHBondContact O-N 3.36Å; R139-E143 WeakPolarHBondContact CD-OE1 3.15Å; R139-E143 VanDerWaalsContact CG-CD 3.41Å; R139-E143 HydrophobicContact CG-CG 4.14Å; R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 WeakPolarHBondContact O-CB 3.3Å; R139-E143 WeakPolarHBondContact O-CG 3.31Å; R139-E143 PolarHBondContact O-N 2.98Å
140	V	93.6	Very high	89.2	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-50.3	179.1	170.2	0	0	0	0	110.6	F90 F95 I136 H142 K144	F90-V140 HydrophobicContact CD1-CB 4.45Å; F90-V140 HydrophobicContact CD1-CG1 3.71Å; F90-V140 HydrophobicContact CD2-CG1 4.47Å; F90-V140 HydrophobicContact CE1-CB 4.1Å; F90-V140 HydrophobicContact CE1-CG1 3.8Å; F90-V140 HydrophobicContact CG-CG1 4.05Å; F90-V140 HydrophobicContact CZ-CB 4.5Å; F90-V140 HydrophobicContact CZ-CG1 4.21Å; F95-V140 HydrophobicContact CD2-CG2 3.68Å; F95-V140 HydrophobicContact CE2-CG2 4.26Å; I136-V140 HydrophobicContact CG2-CG2 4.42Å; I136-V140 WeakPolarHBondContact O-CG2 3.5Å; I136-V140 PolarHBondContact O-N 2.82Å; V140-H142 VanDerWaalsContact C-N 3.3Å; V140-H142 PolarHBondContact O-N 3.4Å; V140-K144 HydrophobicContact CG1-CG 4.4Å; V140-K144 WeakPolarHBondContact O-CB 3.18Å; V140-K144 WeakPolarHBondContact O-CG 3.27Å; V140-K144 PolarHBondContact O-N 2.96Å
141	L	93.8	Very high	89	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-41.4	178.3	-69.4	170.6	0	0	0	111.8	V86 F90 L120 V137 Q138 R139 L145 V159 I161	V86-L141 HydrophobicContact CG1-CD2 3.87Å; V86-L141 HydrophobicContact CG2-CD2 4.27Å; F90-L141 HydrophobicContact CE2-CD2 3.7Å; F90-L141 HydrophobicContact CE2-CG 4.12Å; F90-L141 HydrophobicContact CZ-CD2 4.31Å; F90-L141 HydrophobicContact CZ-CG 4.22Å; L120-L141 HydrophobicContact CD1-CD1 3.72Å; V137-L141 HydrophobicContact CG1-CD1 4.2Å; V137-L141 WeakPolarHBondContact O-CG 3.23Å; V137-L141 PolarHBondContact O-N 2.62Å; V137-L141 VanDerWaalsContact O-N 3.16Å; Q138-L141 PolarHBondContact O-N 3.21Å; R139-L141 PolarHBondContact O-N 3.44Å; L141-L145 HydrophobicContact CB-CD1 4.31Å; L141-L145 HydrophobicContact CD2-CD1 4.15Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CD1 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.19Å; L141-V159 HydrophobicContact CB-CG1 3.93Å; L141-V159 HydrophobicContact CB-CG2 4.5Å; L141-V159 HydrophobicContact CD1-CG1 3.76Å; L141-V159 HydrophobicContact CG-CG1 4.48Å; L141-I161 HydrophobicContact CD1-CG2 3.9Å
142	H	92.3	Very high	89	Confident	54 Å²	54	59.2 Å²	59.2	25%	0.25	31%	0.314	C	S	.	.	H	α-helix	trans	-70.1	-44.7	-176.8	-168.3	82.8	0	0	0	113.8	Q138 R139 V140 Q146 P156 Q157	Q138-H142 VanDerWaalsContact O-CB 3.25Å; Q138-H142 WeakPolarHBondContact O-CB 3.38Å; Q138-H142 PolarHBondContact O-N 2.9Å; R139-H142 PolarHBondContact O-N 3.36Å; V140-H142 VanDerWaalsContact C-N 3.3Å; V140-H142 PolarHBondContact O-N 3.4Å; H142-Q146 VanDerWaalsContact O-CG 3.29Å; H142-Q146 WeakPolarHBondContact O-CG 3.15Å; H142-Q146 PolarHBondContact O-NE2 3.49Å; H142-P156 PolarHBondContact ND1-O 2.86Å; H142-P156 VanDerWaalsContact ND1-O 3.07Å; H142-P156 WeakPolarHBondContact O-CB 3.39Å; H142-Q157 PolarHBondContact CE1-NE2 3.48Å; H142-Q157 PolarHBondContact CE1-OE1 3.3Å; H142-Q157 PolarHBondContact NE2-NE2 3.48Å
143	E	91.9	Very high	89.1	Confident	100 Å²	100	63.6 Å²	63.6	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-75.3	-49.9	-178.8	-70.2	173.9	-179.1	0	0	110.2	R139 Q146	R139-E143 WeakPolarHBondContact CD-OE1 3.15Å; R139-E143 VanDerWaalsContact CG-CD 3.41Å; R139-E143 HydrophobicContact CG-CG 4.14Å; R139-E143 WeakPolarHBondContact CG-OE1 3.47Å; R139-E143 WeakPolarHBondContact O-CB 3.3Å; R139-E143 WeakPolarHBondContact O-CG 3.31Å; R139-E143 PolarHBondContact O-N 2.98Å; E143-Q146 WeakPolarHBondContact O-CB 3.26Å; E143-Q146 PolarHBondContact O-N 2.86Å
144	K	91.6	Very high	89.2	Confident	59 Å²	59	64.3 Å²	64.3	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-79.9	-24	-170.3	-61.4	-72.5	177.9	173.6	0	113.9	A89 E92 V140 Q146 D147	A89-K144 HydrophobicContact CB-CB 3.61Å; A89-K144 WeakPolarHBondContact O-CG 3.2Å; E92-K144 HydrophobicContact CB-CD 4.26Å; E92-K144 VanDerWaalsContact O-CE 3.27Å; E92-K144 WeakPolarHBondContact O-CE 3.37Å; E92-K144 PolarHBondContact O-NZ 2.96Å; V140-K144 HydrophobicContact CG1-CG 4.4Å; V140-K144 WeakPolarHBondContact O-CB 3.18Å; V140-K144 WeakPolarHBondContact O-CG 3.27Å; V140-K144 PolarHBondContact O-N 2.96Å; K144-Q146 VanDerWaalsContact C-N 3.28Å; K144-D147 PolarHBondContact O-N 2.82Å
145	L	92.1	Very high	89.2	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.016	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.7	171.7	-65.1	173.7	0	0	0	112.9	L56 M85 A89 L141 D147 A148 V154 P156 V159	L56-L145 HydrophobicContact CD1-CD1 4.14Å; L56-L145 HydrophobicContact CD2-CD1 4.18Å; M85-L145 HydrophobicContact CB-CD2 4.15Å; A89-L145 HydrophobicContact CB-CD2 4.01Å; A89-L145 HydrophobicContact CB-CG 4.23Å; L141-L145 HydrophobicContact CB-CD1 4.31Å; L141-L145 HydrophobicContact CD2-CD1 4.15Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CD1 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.19Å; L145-D147 VanDerWaalsContact C-N 3.28Å; L145-A148 HydrophobicContact CD2-CB 4.45Å; L145-A148 WeakPolarHBondContact O-CB 3.31Å; L145-A148 PolarHBondContact O-N 3.44Å; L145-V154 HydrophobicContact CB-CG2 4.28Å; L145-P156 VanDerWaalsContact C-CG 3.5Å; L145-P156 HydrophobicContact CB-CB 4.14Å; L145-P156 HydrophobicContact CB-CG 3.97Å; L145-P156 WeakPolarHBondContact O-CG 3.37Å; L145-V159 HydrophobicContact CD1-CG2 4.1Å
146	Q	87.3	Confident	89.1	Confident	108 Å²	108	60.3 Å²	60.3	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-35	171.2	-71.9	172.7	22.9	0	0	111.5	H142 E143 K144 A148 P156	H142-Q146 VanDerWaalsContact O-CG 3.29Å; H142-Q146 WeakPolarHBondContact O-CG 3.15Å; H142-Q146 PolarHBondContact O-NE2 3.49Å; E143-Q146 WeakPolarHBondContact O-CB 3.26Å; E143-Q146 PolarHBondContact O-N 2.86Å; K144-Q146 VanDerWaalsContact C-N 3.28Å; Q146-A148 VanDerWaalsContact C-N 3.25Å; Q146-A148 PolarHBondContact O-N 2.86Å; Q146-P156 HydrophobicContact CB-CG 4.37Å; Q146-P156 HydrophobicContact CG-CB 3.87Å; Q146-P156 HydrophobicContact CG-CG 3.73Å
147	D	83.8	Confident	89.1	Confident	110 Å²	110	65.4 Å²	65.4	59%	0.588	34%	0.34	S	S	*	.	S	Bend	trans	-83.3	-2.4	178.9	-58.9	-34.1	0	0	0	112.4	K144 L145 V149	K144-D147 PolarHBondContact O-N 2.82Å; L145-D147 VanDerWaalsContact C-N 3.28Å; D147-V149 WeakPolarHBondContact O-CG2 3.11Å; D147-V149 PolarHBondContact O-N 3.46Å; D147-V149 VanDerWaalsContact O-N 3.11Å
148	A	83.3	Confident	89	Confident	35 Å²	35	66.7 Å²	66.7	29%	0.289	35%	0.349	S	S	.	.			trans	-68.5	112.5	-176.3	0	0	0	0	0	111	M85 L145 Q146	M85-A148 HydrophobicContact CE-CB 3.5Å; M85-A148 VanDerWaalsContact CE-CB 3.5Å; L145-A148 HydrophobicContact CD2-CB 4.45Å; L145-A148 WeakPolarHBondContact O-CB 3.31Å; L145-A148 PolarHBondContact O-N 3.44Å; Q146-A148 VanDerWaalsContact C-N 3.25Å; Q146-A148 PolarHBondContact O-N 2.86Å
149	V	79.5	Confident	89	Confident	144 Å²	144	63 Å²	63	87%	0.873	33%	0.333	S	S	*	.			trans	-90	138.1	-179.6	-175.5	0	0	0	0	110.7	D147	D147-V149 WeakPolarHBondContact O-CG2 3.11Å; D147-V149 PolarHBondContact O-N 3.46Å; D147-V149 VanDerWaalsContact O-N 3.11Å
150	G	79.5	Confident	89.1	Confident	42 Å²	42	61.1 Å²	61.1	43%	0.433	33%	0.333	S	S	.	.	S	Bend	trans	107.5	173	170.1	0	0	0	0	0	114.5	P152	G150-P152 CarbonylContact O-C 3.53Å
151	P	81.3	Confident	89.1	Confident	93 Å²	93	61.8 Å²	61.8	60%	0.604	34%	0.336	S	S	*	.	S	Bend	trans	-79.7	144.5	176.6	31.4	-33.4	0	0	0	111.9
152	P	87.9	Confident	89.2	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	36%	0.362	C	S	.	.	S	Bend	cis	-76.5	150.7	-3.1	34.9	-38.4	0	0	0	112.1	F58 T59 M78 L82 G150 V154	F58-P152 HydrophobicContact CB-CB 4.09Å; F58-P152 HydrophobicContact CB-CG 4.27Å; F58-P152 HydrophobicContact CD2-CB 3.47Å; F58-P152 VanDerWaalsContact CD2-CB 3.47Å; F58-P152 HydrophobicContact CD2-CG 3.86Å; F58-P152 HydrophobicContact CE2-CB 4.26Å; F58-P152 HydrophobicContact CG-CB 4.12Å; F58-P152 HydrophobicContact CG-CG 4.22Å; T59-P152 VanDerWaalsContact O-CB 3.31Å; T59-P152 WeakPolarHBondContact O-CB 3.43Å; M78-P152 HydrophobicContact CE-CB 4.32Å; M78-P152 HydrophobicContact CE-CG 4.46Å; M78-P152 HydrophobicContact SD-CB 3.96Å; M78-P152 HydrophobicContact SD-CG 3.51Å; M78-P152 VanDerWaalsContact SD-CG 3.51Å; L82-P152 HydrophobicContact CD2-CG 3.64Å; L82-P152 HydrophobicContact CG-CG 4.19Å; G150-P152 CarbonylContact O-C 3.53Å; P152-V154 PolarHBondContact O-N 2.81Å
153	K	89.3	Confident	89.3	Confident	159 Å²	159	69.5 Å²	69.5	69%	0.691	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	114.1	170.7	-177.2	178.3	-177.3	178.8	0	108.6	F58 T59	F58-K153 CarbonylContact C-O 3.56Å; F58-K153 VanDerWaalsContact CA-O 3.32Å; F58-K153 WeakPolarHBondContact CA-O 3.35Å; T59-K153 PolarHBondContact N-O 2.97Å; T59-K153 PolarHBondContact O-N 3.38Å; T59-K153 PolarHBondContact OG1-O 2.94Å
154	V	92.2	Very high	89.4	Confident	16 Å²	16	65.2 Å²	65.2	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	156.1	178.6	-65.3	0	0	0	0	110.9	L56 F58 L82 M85 L145 P152 P156	L56-V154 HydrophobicContact CD1-CB 4.2Å; L56-V154 HydrophobicContact CD2-CB 4.4Å; L56-V154 HydrophobicContact CD2-CG1 3.96Å; L56-V154 HydrophobicContact CG-CB 4.5Å; L56-V154 HydrophobicContact CG-CG1 4.41Å; F58-V154 HydrophobicContact CB-CG1 4.11Å; L82-V154 HydrophobicContact CD2-CG1 3.73Å; M85-V154 HydrophobicContact CE-CB 4.34Å; M85-V154 HydrophobicContact CE-CG1 3.64Å; M85-V154 HydrophobicContact CE-CG2 3.75Å; M85-V154 HydrophobicContact SD-CG1 4.1Å; L145-V154 HydrophobicContact CB-CG2 4.28Å; P152-V154 PolarHBondContact O-N 2.81Å; V154-P156 WeakPolarHBondContact O-CD 3.4Å
155	D	91.6	Very high	89.5	Confident	73 Å²	73	66.4 Å²	66.4	39%	0.39	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	99	169	176.7	5.5	0	0	0	109.6	S57 Q157 S158	S57-D155 PolarHBondContact O-N 2.88Å; D155-Q157 PolarHBondContact O-N 3.24Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q157 PolarHBondContact OD1-N 2.83Å; D155-S158 WeakPolarHBondContact O-CB 3.46Å; D155-S158 PolarHBondContact O-N 3.48Å; D155-S158 VanDerWaalsContact O-N 3.08Å; D155-S158 PolarHBondContact O-OG 2.66Å; D155-S158 PolarHBondContact OD1-N 3.23Å
156	P	89.1	Confident	89.3	Confident	16 Å²	16	73 Å²	73	10%	0.104	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-24.9	-178.9	-22.7	35.1	0	0	0	113.9	H142 L145 Q146 V154 S158 V159	H142-P156 PolarHBondContact ND1-O 2.86Å; H142-P156 VanDerWaalsContact ND1-O 3.07Å; H142-P156 WeakPolarHBondContact O-CB 3.39Å; L145-P156 VanDerWaalsContact C-CG 3.5Å; L145-P156 HydrophobicContact CB-CB 4.14Å; L145-P156 HydrophobicContact CB-CG 3.97Å; L145-P156 WeakPolarHBondContact O-CG 3.37Å; Q146-P156 HydrophobicContact CB-CG 4.37Å; Q146-P156 HydrophobicContact CG-CB 3.87Å; Q146-P156 HydrophobicContact CG-CG 3.73Å; V154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-S158 PolarHBondContact O-N 2.92Å; P156-V159 WeakPolarHBondContact O-CG2 3.49Å; P156-V159 PolarHBondContact O-N 3.35Å
157	Q	90.8	Very high	89.5	Confident	127 Å²	127	73.1 Å²	73.1	59%	0.593	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	-24.4	176.8	-59.7	-69.7	-34.2	0	0	111.3	H142 D155 V159	H142-Q157 PolarHBondContact CE1-NE2 3.48Å; H142-Q157 PolarHBondContact CE1-OE1 3.3Å; H142-Q157 PolarHBondContact NE2-NE2 3.48Å; D155-Q157 PolarHBondContact O-N 3.24Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q157 PolarHBondContact OD1-N 2.83Å; Q157-V159 VanDerWaalsContact C-N 3.28Å; Q157-V159 PolarHBondContact O-N 2.84Å
158	S	91.8	Very high	90	Very high	26 Å²	26	71 Å²	71	18%	0.182	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-7.9	177.5	78.7	0	0	0	0	114.6	S57 D155 P156 N160	S57-S158 WeakPolarHBondContact CB-OG 3.43Å; S57-S158 PolarHBondContact N-OG 3.29Å; S57-S158 WeakPolarHBondContact OG-CB 3.49Å; S57-S158 PolarHBondContact OG-OG 3.36Å; D155-S158 WeakPolarHBondContact O-CB 3.46Å; D155-S158 PolarHBondContact O-N 3.48Å; D155-S158 VanDerWaalsContact O-N 3.08Å; D155-S158 PolarHBondContact O-OG 2.66Å; D155-S158 PolarHBondContact OD1-N 3.23Å; P156-S158 PolarHBondContact O-N 2.92Å; S158-N160 PolarHBondContact O-N 3.19Å
159	V	94.2	Very high	90.4	Very high	12 Å²	12	69.6 Å²	69.6	7%	0.073	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	119.1	-179.4	175.3	0	0	0	0	110	T55 L56 L141 L145 P156 Q157 I161	T55-V159 WeakPolarHBondContact O-CA 3.25Å; L56-V159 HydrophobicContact CD1-CG2 3.43Å; L56-V159 VanDerWaalsContact CD1-CG2 3.43Å; L141-V159 HydrophobicContact CB-CG1 3.93Å; L141-V159 HydrophobicContact CB-CG2 4.5Å; L141-V159 HydrophobicContact CD1-CG1 3.76Å; L141-V159 HydrophobicContact CG-CG1 4.48Å; L145-V159 HydrophobicContact CD1-CG2 4.1Å; P156-V159 WeakPolarHBondContact O-CG2 3.49Å; P156-V159 PolarHBondContact O-N 3.35Å; Q157-V159 VanDerWaalsContact C-N 3.28Å; Q157-V159 PolarHBondContact O-N 2.84Å; V159-I161 HydrophobicContact CG1-CG2 4.25Å
160	N	93.9	Very high	91	Very high	97 Å²	97	64 Å²	64	52%	0.519	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	172.4	-178	22.7	0	0	0	109.4	S54 T55 S158	S54-N160 CarbonylContact C-O 3.48Å; S54-N160 VanDerWaalsContact CA-O 3.22Å; S54-N160 WeakPolarHBondContact CA-O 3.43Å; S54-N160 PolarHBondContact OG-O 3.4Å; T55-N160 PolarHBondContact N-O 3.45Å; T55-N160 PolarHBondContact O-N 3.46Å; T55-N160 VanDerWaalsContact O-N 3.17Å; S158-N160 PolarHBondContact O-N 3.19Å
161	I	95.1	Very high	91.6	Very high	21 Å²	21	66 Å²	66	11%	0.108	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.4	176.8	65.4	170.7	0	0	0	110.6	Y52 Y53 L120 N134 V137 Q138 L141 V159	Y52-I161 HydrophobicContact CD1-CB 4.35Å; Y52-I161 HydrophobicContact CD1-CD1 4.24Å; Y52-I161 HydrophobicContact CE1-CD1 4.32Å; Y53-I161 CarbonylContact O-C 3.55Å; Y53-I161 WeakPolarHBondContact O-CA 3.18Å; L120-I161 HydrophobicContact CD1-CG2 4.32Å; N134-I161 WeakPolarHBondContact O-CD1 3.39Å; V137-I161 HydrophobicContact CB-CD1 3.98Å; V137-I161 HydrophobicContact CG1-CD1 3.74Å; V137-I161 HydrophobicContact CG1-CG2 4.48Å; Q138-I161 HydrophobicContact CB-CD1 3.79Å; Q138-I161 HydrophobicContact CB-CG1 4.26Å; L141-I161 HydrophobicContact CD1-CG2 3.9Å; V159-I161 HydrophobicContact CG1-CG2 4.25Å
162	K	95.3	Very high	92.2	Very high	126 Å²	126	65.6 Å²	65.6	55%	0.548	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.2	172.6	-179.2	-177	176.4	-172.9	0	108.4	Y52 Y53 I164	Y52-K162 CarbonylContact C-O 3.49Å; Y52-K162 WeakPolarHBondContact CA-O 3.46Å; Y53-K162 PolarHBondContact N-O 2.87Å; Y53-K162 PolarHBondContact O-N 3.46Å; K162-I164 PolarHBondContact O-N 2.84Å
163	K	94.2	Very high	92.4	Very high	91 Å²	91	66.9 Å²	66.9	40%	0.396	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.7	172.5	-173.4	178.1	179.9	177.9	0	109.7	Y52	Y52-K163 HydrophobicContact CD1-CB 4.18Å; Y52-K163 HydrophobicContact CE1-CB 3.97Å; Y52-K163 HydrophobicContact CE1-CG 4.31Å
164	I	94.9	Very high	92.6	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.6	179.1	58	173.1	0	0	0	110.5	N51 L119 K162 E168 I169 Y172	N51-I164 HydrophobicContact CB-CD1 4.41Å; N51-I164 HydrophobicContact CB-CG1 3.79Å; N51-I164 WeakPolarHBondContact O-CG1 3.28Å; N51-I164 PolarHBondContact O-N 3.22Å; L119-I164 HydrophobicContact CD2-CD1 3.86Å; K162-I164 PolarHBondContact O-N 2.84Å; I164-E168 WeakPolarHBondContact CA-OE2 3.17Å; I164-E168 HydrophobicContact CB-CB 4.02Å; I164-I169 HydrophobicContact CD1-CB 3.84Å; I164-I169 HydrophobicContact CD1-CG1 4.33Å; I164-Y172 HydrophobicContact CD1-CD2 4.24Å; I164-Y172 HydrophobicContact CD1-CE2 4.34Å
165	N	92.2	Very high	92.7	Very high	85 Å²	85	63.6 Å²	63.6	46%	0.455	32%	0.315	S	S	.	.			trans	-83.9	175.7	177.3	71.7	49.5	0	0	0	112.1	T167 E168 I169	N165-T167 PolarHBondContact O-N 3.3Å; N165-T167 WeakPolarHBondContact OD1-CA 3.47Å; N165-T167 WeakPolarHBondContact OD1-CB 3.48Å; N165-T167 PolarHBondContact OD1-N 3.24Å; N165-E168 PolarHBondContact N-OE2 3.46Å; N165-E168 PolarHBondContact ND2-OE2 3.18Å; N165-E168 PolarHBondContact O-N 2.65Å; N165-E168 PolarHBondContact OD1-N 2.75Å; N165-I169 PolarHBondContact O-N 2.76Å
166	K	88.6	Confident	92.8	Very high	142 Å²	142	60.5 Å²	60.5	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-63.5	-38.1	-179.3	-172.9	176	178.7	178.4	0	112.9	I169 D170	K166-I169 WeakPolarHBondContact O-CG2 3.25Å; K166-D170 VanDerWaalsContact O-CB 3.32Å; K166-D170 WeakPolarHBondContact O-CB 3.18Å; K166-D170 VanDerWaalsContact O-CG 3.3Å; K166-D170 PolarHBondContact O-N 3.44Å
167	T	91.6	Very high	93.1	Very high	110 Å²	110	60 Å²	60	68%	0.675	30%	0.295	S	S	*	.	H	α-helix	trans	-67.7	-40	179.9	-51.2	0	0	0	0	111.3	N165 N171	N165-T167 PolarHBondContact O-N 3.3Å; N165-T167 WeakPolarHBondContact OD1-CA 3.47Å; N165-T167 WeakPolarHBondContact OD1-CB 3.48Å; N165-T167 PolarHBondContact OD1-N 3.24Å; T167-N171 WeakPolarHBondContact O-CB 3.16Å; T167-N171 PolarHBondContact O-N 3.13Å
168	E	94	Very high	93.3	Very high	65 Å²	65	54 Å²	54	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-46.6	176.9	-71.7	174	108.4	0	0	111.8	I164 N165 N171 Y172	I164-E168 WeakPolarHBondContact CA-OE2 3.17Å; I164-E168 HydrophobicContact CB-CB 4.02Å; N165-E168 PolarHBondContact N-OE2 3.46Å; N165-E168 PolarHBondContact ND2-OE2 3.18Å; N165-E168 PolarHBondContact O-N 2.65Å; N165-E168 PolarHBondContact OD1-N 2.75Å; E168-N171 WeakPolarHBondContact O-CB 3.3Å; E168-N171 PolarHBondContact O-N 3.47Å; E168-Y172 WeakPolarHBondContact O-CD2 3.19Å; E168-Y172 PolarHBondContact O-N 3.01Å
169	I	91.5	Very high	93.4	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177.9	-168.5	167.8	0	0	0	111.8	N51 L119 I121 I164 N165 K166 N171 Y172 L173	N51-I169 HydrophobicContact CB-CB 4.35Å; N51-I169 HydrophobicContact CB-CD1 3.86Å; N51-I169 HydrophobicContact CB-CG2 4.39Å; N51-I169 WeakPolarHBondContact OD1-CD1 3.4Å; L119-I169 HydrophobicContact CB-CD1 4.46Å; L119-I169 HydrophobicContact CD1-CG1 3.98Å; L119-I169 HydrophobicContact CD2-CG1 4.28Å; I121-I169 HydrophobicContact CD1-CD1 3.84Å; I121-I169 HydrophobicContact CG1-CD1 3.77Å; I164-I169 HydrophobicContact CD1-CB 3.84Å; I164-I169 HydrophobicContact CD1-CG1 4.33Å; N165-I169 PolarHBondContact O-N 2.76Å; K166-I169 WeakPolarHBondContact O-CG2 3.25Å; I169-N171 VanDerWaalsContact C-N 3.26Å; I169-N171 PolarHBondContact O-N 3.17Å; I169-Y172 PolarHBondContact O-N 3.46Å; I169-L173 HydrophobicContact CG1-CD1 4.13Å; I169-L173 HydrophobicContact CG1-CG 4.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.39Å
170	D	91.3	Very high	93.1	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-43.1	174.5	-81.5	7.6	0	0	0	109.9	K166 Y172 L173 N174 R181 N290	K166-D170 VanDerWaalsContact O-CB 3.32Å; K166-D170 WeakPolarHBondContact O-CB 3.18Å; K166-D170 VanDerWaalsContact O-CG 3.3Å; K166-D170 PolarHBondContact O-N 3.44Å; D170-Y172 PolarHBondContact O-N 3.22Å; D170-L173 PolarHBondContact O-N 2.88Å; D170-N174 WeakPolarHBondContact O-CB 3.41Å; D170-N174 PolarHBondContact O-N 3.15Å; D170-N174 PolarHBondContact O-ND2 3.39Å; D170-R181 IonicContact OD2-NH2 3.75Å; D170-R181 PolarHBondContact OD2-NH2 3.32Å; D170-N290 WeakPolarHBondContact CB-OD1 3.27Å; D170-N290 PolarHBondContact OD2-ND2 3.23Å; D170-N290 PolarHBondContact OD2-OD1 2.86Å
171	N	93.6	Very high	92.4	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-45.4	177.7	-169.7	36	0	0	0	112.5	T167 E168 I169 N174 H175	T167-N171 WeakPolarHBondContact O-CB 3.16Å; T167-N171 PolarHBondContact O-N 3.13Å; E168-N171 WeakPolarHBondContact O-CB 3.3Å; E168-N171 PolarHBondContact O-N 3.47Å; I169-N171 VanDerWaalsContact C-N 3.26Å; I169-N171 PolarHBondContact O-N 3.17Å; N171-N174 PolarHBondContact O-N 3.27Å; N171-H175 PolarHBondContact O-N 2.7Å; N171-H175 PolarHBondContact O-ND1 3.47Å; N171-H175 PolarHBondContact OD1-CE1 3.36Å; N171-H175 PolarHBondContact OD1-ND1 3.43Å
172	Y	93.9	Very high	91	Very high	85 Å²	85	59.5 Å²	59.5	33%	0.333	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-45.7	176	-74.1	-61.3	0	0	0	112.1	Y53 I105 L119 I164 E168 I169 D170 H175 C176	Y53-Y172 HydrophobicContact CD2-CE1 4.4Å; Y53-Y172 AromaticContact CD2-CE2 3.97Å; Y53-Y172 HydrophobicContact CD2-CE2 3.97Å; Y53-Y172 AromaticContact CD2-CZ 3.88Å; Y53-Y172 HydrophobicContact CE2-CE1 4.15Å; Y53-Y172 HydrophobicContact CE2-CE2 4.5Å; Y53-Y172 AromaticContact CE2-CZ 3.98Å; I105-Y172 HydrophobicContact CD1-CD1 3.82Å; I105-Y172 HydrophobicContact CD1-CE1 4.41Å; I105-Y172 HydrophobicContact CD1-CG 4.16Å; L119-Y172 HydrophobicContact CD2-CD2 3.84Å; L119-Y172 HydrophobicContact CD2-CG 4.16Å; I164-Y172 HydrophobicContact CD1-CD2 4.24Å; I164-Y172 HydrophobicContact CD1-CE2 4.34Å; E168-Y172 WeakPolarHBondContact O-CD2 3.19Å; E168-Y172 PolarHBondContact O-N 3.01Å; I169-Y172 PolarHBondContact O-N 3.46Å; D170-Y172 PolarHBondContact O-N 3.22Å; Y172-H175 PolarHBondContact O-N 3.32Å; Y172-C176 PolarHBondContact O-N 3.33Å; Y172-C176 PolarHBondContact O-SG 3.37Å
173	L	91.9	Very high	89	Confident	28 Å²	28	56.6 Å²	56.6	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-42.9	-179.8	-68.9	173.3	0	0	0	111.8	L119 I169 D170 H175 C176 T179	L119-L173 HydrophobicContact CD1-CD2 3.56Å; L119-L173 HydrophobicContact CD1-CG 3.77Å; I169-L173 HydrophobicContact CG1-CD1 4.13Å; I169-L173 HydrophobicContact CG1-CG 4.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.39Å; D170-L173 PolarHBondContact O-N 2.88Å; L173-H175 PolarHBondContact O-N 3.09Å; L173-C176 WeakPolarHBondContact O-CA 3.39Å; L173-C176 VanDerWaalsContact O-CB 3.31Å; L173-C176 WeakPolarHBondContact O-CB 3.39Å; L173-C176 PolarHBondContact O-N 3.45Å; L173-T179 HydrophobicContact CD2-CG2 4.24Å; L173-T179 PolarHBondContact O-OG1 2.04Å
174	N	93.4	Very high	86.5	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.059	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-25.4	179.5	-65.9	-30	0	0	0	113.1	D170 N171 Y288 T289 N290 H293	D170-N174 WeakPolarHBondContact O-CB 3.41Å; D170-N174 PolarHBondContact O-N 3.15Å; D170-N174 PolarHBondContact O-ND2 3.39Å; N171-N174 PolarHBondContact O-N 3.27Å; N174-Y288 WeakPolarHBondContact O-CB 3.42Å; N174-T289 PolarHBondContact OD1-O 2.96Å; N174-N290 PolarHBondContact ND2-N 3.07Å; N174-N290 VanDerWaalsContact ND2-N 3.12Å; N174-N290 PolarHBondContact ND2-OD1 2.81Å; N174-N290 VanDerWaalsContact OD1-CA 3.29Å; N174-N290 WeakPolarHBondContact OD1-CA 3.44Å; N174-N290 PolarHBondContact OD1-N 3.02Å; N174-N290 PolarHBondContact OD1-OD1 3.14Å; N174-H293 VanDerWaalsContact O-CB 3.27Å; N174-H293 WeakPolarHBondContact O-CB 3.28Å
175	H	93.8	Very high	83.8	Confident	96 Å²	96	65.9 Å²	65.9	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-83.1	-15.6	174.4	-74.3	81.4	0	0	0	113.1	N171 Y172 L173 Y288	N171-H175 PolarHBondContact O-N 2.7Å; N171-H175 PolarHBondContact O-ND1 3.47Å; N171-H175 PolarHBondContact OD1-CE1 3.36Å; N171-H175 PolarHBondContact OD1-ND1 3.43Å; Y172-H175 PolarHBondContact O-N 3.32Å; L173-H175 PolarHBondContact O-N 3.09Å; H175-Y288 AromaticContact CD2-CD2 3.92Å
176	C	93.4	Very high	80.9	Confident	7 Å²	7	64.9 Å²	64.9	5%	0.047	35%	0.348	C	S	.	.	S	Bend	trans	-77.5	149.5	169.4	-56.3	0	0	0	0	109.7	E70 Y172 L173 T179	E70-C176 WeakPolarHBondContact OE1-CA 3.34Å; Y172-C176 PolarHBondContact O-N 3.33Å; Y172-C176 PolarHBondContact O-SG 3.37Å; L173-C176 WeakPolarHBondContact O-CA 3.39Å; L173-C176 VanDerWaalsContact O-CB 3.31Å; L173-C176 WeakPolarHBondContact O-CB 3.39Å; L173-C176 PolarHBondContact O-N 3.45Å; C176-T179 HydrophobicContact CB-CG2 3.87Å
177	C	95.4	Very high	78.1	Confident	6 Å²	6	65.3 Å²	65.3	4%	0.041	35%	0.352	C	S	.	.	S	Bend	trans	-77.9	155.9	170	68.8	0	0	0	0	111.3	E70 T179 R294 C296	E70-C177 PolarHBondContact OE1-N 3.46Å; C177-T179 PolarHBondContact O-N 2.96Å; C177-R294 CarbonylContact C-O 3.58Å; C177-R294 WeakPolarHBondContact CA-O 3.39Å; C177-R294 HydrophobicContact CB-CG 3.84Å; C177-C296 HydrophobicContact CB-CB 3.93Å; C177-C296 WeakPolarHBondContact CB-SG 3.35Å; C177-C296 PolarHBondContact O-SG 3.06Å; C177-C296 WeakPolarHBondContact SG-CA 3.42Å; C177-C296 WeakPolarHBondContact SG-CB 3.4Å; C177-C296 CovalentContact SG-SG 2.04Å; C177-C296 PolarHBondContact SG-SG 3.16Å
178	G	95.5	Very high	75.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	68.1	6.6	165.1	0	0	0	0	0	115.3	R294 W385	G178-R294 PolarHBondContact N-O 3.17Å; G178-W385 WeakPolarHBondContact CA-O 3.38Å; G178-W385 WeakPolarHBondContact O-CB 3.45Å; G178-W385 PolarHBondContact O-N 2.93Å
179	T	93.7	Very high	72.2	Confident	10 Å²	10	67.3 Å²	67.3	6%	0.061	37%	0.369	C	S	.	.			trans	-78.7	151.8	173.5	57.9	0	0	0	0	110.9	L173 C176 C177 W204 H293 I384	L173-T179 HydrophobicContact CD2-CG2 4.24Å; L173-T179 PolarHBondContact O-OG1 2.04Å; C176-T179 HydrophobicContact CB-CG2 3.87Å; C177-T179 PolarHBondContact O-N 2.96Å; T179-W204 VanDerWaalsContact O-CZ3 3.24Å; T179-W204 WeakPolarHBondContact O-CZ3 3.49Å; T179-H293 PolarHBondContact O-CE1 2.86Å; T179-H293 PolarHBondContact O-NE2 3.45Å; T179-H293 PolarHBondContact OG1-CE1 3.01Å; T179-H293 PolarHBondContact OG1-NE2 2.92Å; T179-I384 HydrophobicContact CG2-CD1 3.87Å
180	R	88	Confident	69.3	Low	64 Å²	64	77.4 Å²	77.4	24%	0.242	41%	0.407	C	S	.	.			trans	-143.8	162	169.7	66.1	174.4	-164.8	157.4	5.4	110.9	S182 E201 W204 W385	R180-S182 PolarHBondContact O-N 3.34Å; R180-E201 VanDerWaalsContact CB-O 3.23Å; R180-E201 WeakPolarHBondContact CB-O 3.46Å; R180-E201 WeakPolarHBondContact CD-O 3.29Å; R180-W204 HydrophobicContact CB-CH2 4.38Å; R180-W385 VanDerWaalsContact CZ-CZ2 3.41Å
181	R	80.2	Confident	66.7	Low	110 Å²	110	82.4 Å²	82.4	42%	0.415	43%	0.432	S	S	.	.			trans	-76.2	105.1	168.2	-71	-176.9	161	-169.1	-7.4	108.1	D170 G200 N290	D170-R181 IonicContact OD2-NH2 3.75Å; D170-R181 PolarHBondContact OD2-NH2 3.32Å; R181-G200 PolarHBondContact N-O 3.19Å; R181-N290 VanDerWaalsContact CZ-CB 3.44Å; R181-N290 PolarHBondContact NH2-ND2 2.01Å
182	S	64	Low	63.8	Low	88 Å²	88	82.4 Å²	82.4	62%	0.615	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-67	134.1	173	-171.1	0	0	0	0	109.6	R180	R180-S182 PolarHBondContact O-N 3.34Å
183	K	54.1	Low	61.8	Low	65 Å²	65	80.7 Å²	80.7	28%	0.283	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-53.5	141.8	155.2	-79.5	-171	172.5	-168.7	0	108.5	L185 E198 E201	K183-L185 PolarHBondContact O-N 3.3Å; K183-E198 WeakPolarHBondContact CE-OE1 3.31Å; K183-E198 WeakPolarHBondContact CE-OE2 3.26Å; K183-E198 IonicContact NZ-OE1 2.7Å; K183-E198 PolarHBondContact NZ-OE1 3.04Å; K183-E201 WeakPolarHBondContact CE-OE1 3.43Å; K183-E201 IonicContact NZ-OE1 3.44Å
184	S	40.9	Very low	60.4	Low	110 Å²	110	80.5 Å²	80.5	77%	0.769	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-51.5	136.8	164.3	50.1	0	0	0	0	108.3	G186	S184-G186 PolarHBondContact O-N 3.24Å
185	L	38.3	Very low	59.9	Low	186 Å²	186	81.8 Å²	81.8	97%	0.974	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	30.3	-175.3	-94.7	132.6	0	0	0	115.8	K183	K183-L185 PolarHBondContact O-N 3.3Å
186	G	32.3	Very low	59.7	Low	64 Å²	64	82.5 Å²	82.5	66%	0.66	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-0.8	-168.8	0	0	0	0	0	117.1	S184	S184-G186 PolarHBondContact O-N 3.24Å
187	Q	29.5	Very low	59.5	Low	152 Å²	152	82.3 Å²	82.3	71%	0.71	46%	0.459	S	S	*	.			trans	-135	96.9	177.6	-75.2	-175.5	-6.6	0	0	111.7	L189	Q187-L189 PolarHBondContact O-N 3.5Å; Q187-L189 VanDerWaalsContact O-N 3.11Å
188	S	29.9	Very low	59.3	Low	118 Å²	118	87.4 Å²	87.4	83%	0.825	48%	0.482	S	S	*	.			trans	-65.6	105.5	165.2	75.5	0	0	0	0	108.8	R190	S188-R190 PolarHBondContact O-N 2.77Å
189	L	32.6	Very low	59	Low	98 Å²	98	92 Å²	92	51%	0.513	50%	0.503	S	S	.	.			trans	-90.4	81.4	170.8	-73.8	165.2	0	0	0	108.8	Q187 T195	Q187-L189 PolarHBondContact O-N 3.5Å; Q187-L189 VanDerWaalsContact O-N 3.11Å; L189-T195 HydrophobicContact CD1-CG2 4.4Å
190	R	30.1	Very low	58.8	Low	219 Å²	219	91.8 Å²	91.8	83%	0.826	50%	0.503	S	S	*	.			trans	-78.9	110.8	160.6	-165.7	-174.9	-169.2	154.4	2.8	105.9	S188	S188-R190 PolarHBondContact O-N 2.77Å
191	I	35.3	Very low	59	Low	130 Å²	130	89.2 Å²	89.2	67%	0.667	49%	0.493	S	S	*	.			trans	-170.8	164.8	158.4	-91.1	140.9	0	0	0	109.5	R365	I191-R365 PolarHBondContact O-NH2 3.22Å; I191-R365 VanDerWaalsContact O-NH2 3.13Å
192	V	33.2	Very low	59.8	Low	83 Å²	83	84.4 Å²	84.4	50%	0.503	48%	0.475	S	S	.	.	S	Bend	trans	-97.7	142	-175.1	169.8	0	0	0	0	109.5	K364	V192-K364 HydrophobicContact CG1-CB 3.81Å; V192-K364 WeakPolarHBondContact CG1-O 3.47Å; V192-K364 HydrophobicContact CG2-CB 4.42Å
193	G	52.6	Low	61.4	Low	50 Å²	50	80.3 Å²	80.3	52%	0.515	45%	0.447	S	S	.	.	S	Bend	trans	101.4	14.3	177.1	0	0	0	0	0	117
194	G	63	Low	63.5	Low	23 Å²	23	77.2 Å²	77.2	24%	0.237	43%	0.433	C	S	.	.			trans	67.1	147.2	177.8	0	0	0	0	0	114.7	R329 Q330	G194-R329 PolarHBondContact O-NH2 3.25Å; G194-Q330 CarbonylContact C-O 3.58Å; G194-Q330 WeakPolarHBondContact CA-O 3.05Å
195	T	83.1	Confident	66.2	Low	39 Å²	39	72.1 Å²	72.1	24%	0.239	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.2	178.5	57.4	0	0	0	0	110.8	L189 R329 Q330	L189-T195 HydrophobicContact CD1-CG2 4.4Å; T195-R329 CarbonylContact O-C 3.53Å; T195-R329 VanDerWaalsContact O-CA 3.25Å; T195-R329 WeakPolarHBondContact O-CA 3.44Å; T195-Q330 PolarHBondContact N-O 3.36Å; T195-Q330 PolarHBondContact O-N 2.92Å; T195-Q330 WeakPolarHBondContact OG1-CG 3.32Å
196	E	88	Confident	69.1	Low	111 Å²	111	63.3 Å²	63.3	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	145.2	170.1	-70.4	179.9	-173.5	0	0	110.6	R329	E196-R329 VanDerWaalsContact CG-NH1 3.3Å; E196-R329 IonicContact OE1-NH1 3.27Å; E196-R329 PolarHBondContact OE1-NH1 3.47Å
197	V	89.8	Confident	72.2	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-100.6	138.3	-174.4	174.2	0	0	0	0	109.5	E201 W202 V248 H327 L328 Q330	V197-E201 HydrophobicContact CG1-CB 3.71Å; V197-E201 HydrophobicContact CG1-CG 4.44Å; V197-W202 HydrophobicContact CG1-CG 4.38Å; V197-V248 HydrophobicContact CG1-CG1 4.08Å; V197-H327 PolarHBondContact O-NE2 3.02Å; V197-L328 HydrophobicContact CB-CB 4.23Å; V197-L328 HydrophobicContact CB-CD2 4.22Å; V197-L328 HydrophobicContact CB-CG 4.08Å; V197-L328 HydrophobicContact CG1-CD2 4.03Å; V197-L328 HydrophobicContact CG1-CG 4.43Å; V197-L328 HydrophobicContact CG2-CD2 4.39Å; V197-L328 HydrophobicContact CG2-CG 3.99Å; V197-L328 PolarHBondContact N-O 3.38Å; V197-Q330 HydrophobicContact CG2-CB 3.8Å; V197-Q330 HydrophobicContact CG2-CG 3.98Å
198	E	90.4	Very high	75.5	Confident	112 Å²	112	53 Å²	53	52%	0.523	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-84.2	155.3	169.6	-67.5	174.7	-161.2	0	0	112.2	K183 G200 E201	K183-E198 WeakPolarHBondContact CE-OE1 3.31Å; K183-E198 WeakPolarHBondContact CE-OE2 3.26Å; K183-E198 IonicContact NZ-OE1 2.7Å; K183-E198 PolarHBondContact NZ-OE1 3.04Å; E198-G200 PolarHBondContact O-N 3.49Å; E198-E201 HydrophobicContact CB-CG 4.21Å; E198-E201 WeakPolarHBondContact CB-OE1 3.47Å; E198-E201 PolarHBondContact N-OE1 3Å; E198-E201 WeakPolarHBondContact O-CB 3.42Å; E198-E201 PolarHBondContact O-N 3.06Å
199	E	90.7	Very high	78.8	Confident	98 Å²	98	47.4 Å²	47.4	46%	0.458	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	125.6	-177.8	-170.3	175.2	-122.4	0	0	112.2	V248 K254 A291	E199-V248 HydrophobicContact CB-CG1 4.47Å; E199-V248 HydrophobicContact CB-CG2 4.49Å; E199-K254 VanDerWaalsContact OE1-CD 3.32Å; E199-K254 WeakPolarHBondContact OE1-CD 3.27Å; E199-K254 IonicContact OE1-NZ 3.46Å; E199-K254 PolarHBondContact OE1-NZ 2.98Å; E199-K254 IonicContact OE2-NZ 3.28Å; E199-K254 PolarHBondContact OE2-NZ 2.73Å; E199-A291 HydrophobicContact CG-CB 3.65Å
200	G	88.3	Confident	81.9	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	0.3	-179.9	0	0	0	0	0	115.3	R181 E198 N290	R181-G200 PolarHBondContact N-O 3.19Å; E198-G200 PolarHBondContact O-N 3.49Å; G200-N290 VanDerWaalsContact CA-O 3.31Å; G200-N290 WeakPolarHBondContact CA-O 3.4Å
201	E	92.6	Very high	85.1	Confident	11 Å²	11	37.2 Å²	37.2	5%	0.051	21%	0.208	C	C	.	.	S	Bend	trans	-72	-36.9	171.4	-70.8	-163.2	-113	0	0	112.3	R180 K183 V197 E198	R180-E201 VanDerWaalsContact CB-O 3.23Å; R180-E201 WeakPolarHBondContact CB-O 3.46Å; R180-E201 WeakPolarHBondContact CD-O 3.29Å; K183-E201 WeakPolarHBondContact CE-OE1 3.43Å; K183-E201 IonicContact NZ-OE1 3.44Å; V197-E201 HydrophobicContact CG1-CB 3.71Å; V197-E201 HydrophobicContact CG1-CG 4.44Å; E198-E201 HydrophobicContact CB-CG 4.21Å; E198-E201 WeakPolarHBondContact CB-OE1 3.47Å; E198-E201 PolarHBondContact N-OE1 3Å; E198-E201 WeakPolarHBondContact O-CB 3.42Å; E198-E201 PolarHBondContact O-N 3.06Å
202	W	96.6	Very high	88	Confident	8 Å²	8	33.2 Å²	33.2	3%	0.03	20%	0.198	C	C	.	.	S	Bend	trans	-132	68.2	178.9	-54	114.6	0	0	0	111.5	V197 W204 Q205 F311 T313 L328 V377 W385	V197-W202 HydrophobicContact CG1-CG 4.38Å; W202-W204 HydrophobicContact CE3-CH2 4.28Å; W202-W204 AromaticContact CE3-CZ2 3.46Å; W202-W204 HydrophobicContact CE3-CZ2 3.46Å; W202-W204 VanDerWaalsContact CE3-CZ2 3.46Å; W202-W204 AromaticContact CZ3-CZ2 3.82Å; W202-W204 HydrophobicContact CZ3-CZ2 3.82Å; W202-W204 PolarHBondContact O-N 3.1Å; W202-W204 VanDerWaalsContact O-N 3.09Å; W202-Q205 WeakPolarHBondContact O-CB 3.36Å; W202-Q205 PolarHBondContact O-N 2.92Å; W202-Q205 VanDerWaalsContact O-N 3.08Å; W202-F311 HydrophobicContact CH2-CB 3.43Å; W202-F311 VanDerWaalsContact CH2-CB 3.43Å; W202-F311 HydrophobicContact CH2-CD1 4.11Å; W202-F311 HydrophobicContact CH2-CD2 4.06Å; W202-F311 AromaticContact CH2-CG 3.6Å; W202-F311 HydrophobicContact CH2-CG 3.6Å; W202-F311 HydrophobicContact CZ2-CB 3.65Å; W202-F311 AromaticContact CZ2-CD1 3.72Å; W202-F311 HydrophobicContact CZ2-CD1 3.72Å; W202-F311 HydrophobicContact CZ2-CD2 4.49Å; W202-F311 AromaticContact CZ2-CG 3.7Å; W202-F311 HydrophobicContact CZ2-CG 3.7Å; W202-F311 HydrophobicContact CZ3-CB 4.35Å; W202-T313 HydrophobicContact CB-CG2 4.39Å; W202-T313 HydrophobicContact CD2-CG2 3.78Å; W202-T313 HydrophobicContact CG-CG2 3.63Å; W202-T313 HydrophobicContact CZ2-CG2 4.34Å; W202-L328 HydrophobicContact CB-CD2 4.36Å; W202-V377 HydrophobicContact CE3-CG2 4.14Å; W202-V377 HydrophobicContact CH2-CG2 4.08Å; W202-V377 HydrophobicContact CZ3-CG2 3.52Å; W202-W385 HydrophobicContact CH2-CD2 4.42Å; W202-W385 HydrophobicContact CH2-CE3 4.03Å; W202-W385 AromaticContact CH2-CH2 3.61Å; W202-W385 HydrophobicContact CH2-CH2 3.61Å; W202-W385 HydrophobicContact CH2-CZ2 4.05Å; W202-W385 AromaticContact CH2-CZ3 3.59Å; W202-W385 HydrophobicContact CH2-CZ3 3.59Å; W202-W385 AromaticContact CZ3-CD2 3.87Å; W202-W385 HydrophobicContact CZ3-CD2 3.87Å; W202-W385 AromaticContact CZ3-CE3 3.67Å; W202-W385 HydrophobicContact CZ3-CE3 3.67Å; W202-W385 HydrophobicContact CZ3-CH2 4.05Å; W202-W385 HydrophobicContact CZ3-CZ2 4.26Å; W202-W385 AromaticContact CZ3-CZ3 3.75Å; W202-W385 HydrophobicContact CZ3-CZ3 3.75Å
203	P	97.2	Very high	91	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.019	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.8	-167.2	27.1	-33.9	0	0	0	114.2	A291 V292 H293	P203-A291 WeakPolarHBondContact CA-O 3.49Å; P203-V292 VanDerWaalsContact O-CA 3.31Å; P203-V292 WeakPolarHBondContact O-CA 3.02Å; P203-H293 CarbonylContact C-O 3.33Å; P203-H293 VanDerWaalsContact C-O 3.31Å; P203-H293 VanDerWaalsContact CG-CE1 3.5Å; P203-H293 WeakPolarHBondContact CG-CE1 3.26Å; P203-H293 WeakPolarHBondContact CG-NE2 3.35Å; P203-H293 PolarHBondContact O-N 3.5Å
204	W	98.6	Very high	93.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	176.4	46.1	78.6	0	0	0	114.1	T179 R180 W202 A206 T219 L220 H293 V295 V377 W385	T179-W204 VanDerWaalsContact O-CZ3 3.24Å; T179-W204 WeakPolarHBondContact O-CZ3 3.49Å; R180-W204 HydrophobicContact CB-CH2 4.38Å; W202-W204 HydrophobicContact CE3-CH2 4.28Å; W202-W204 AromaticContact CE3-CZ2 3.46Å; W202-W204 HydrophobicContact CE3-CZ2 3.46Å; W202-W204 VanDerWaalsContact CE3-CZ2 3.46Å; W202-W204 AromaticContact CZ3-CZ2 3.82Å; W202-W204 HydrophobicContact CZ3-CZ2 3.82Å; W202-W204 PolarHBondContact O-N 3.1Å; W202-W204 VanDerWaalsContact O-N 3.09Å; W204-A206 PolarHBondContact O-N 2.87Å; W204-T219 HydrophobicContact CB-CG2 4.07Å; W204-T219 HydrophobicContact CG-CG2 4.2Å; W204-T219 WeakPolarHBondContact O-CA 3.43Å; W204-L220 HydrophobicContact CB-CB 4.21Å; W204-L220 PolarHBondContact O-N 3.39Å; W204-H293 VanDerWaalsContact CA-O 3.27Å; W204-H293 WeakPolarHBondContact CA-O 3.03Å; W204-H293 WeakPolarHBondContact CB-O 3.49Å; W204-H293 PolarHBondContact N-O 3.34Å; W204-V295 HydrophobicContact CB-CB 3.93Å; W204-V295 HydrophobicContact CD2-CB 3.65Å; W204-V295 HydrophobicContact CD2-CG2 3.89Å; W204-V295 HydrophobicContact CE3-CB 3.92Å; W204-V295 HydrophobicContact CE3-CG2 4.19Å; W204-V295 HydrophobicContact CG-CB 3.66Å; W204-V295 HydrophobicContact CG-CG2 4.25Å; W204-V295 HydrophobicContact CZ2-CG2 4.24Å; W204-V377 HydrophobicContact CZ2-CG1 4.35Å; W204-V377 HydrophobicContact CZ2-CG2 4.36Å; W204-W385 HydrophobicContact CH2-CB 3.37Å; W204-W385 HydrophobicContact CH2-CD2 4.48Å; W204-W385 AromaticContact CH2-CG 3.65Å; W204-W385 HydrophobicContact CH2-CG 3.65Å; W204-W385 HydrophobicContact CZ2-CB 3.71Å; W204-W385 HydrophobicContact CZ2-CG 4.05Å; W204-W385 HydrophobicContact CZ3-CB 4.28Å
205	Q	98.6	Very high	94.6	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.2	179.4	-179.4	72.5	53.3	0	0	110.6	W202 T313 F315 L328 P375	W202-Q205 WeakPolarHBondContact O-CB 3.36Å; W202-Q205 PolarHBondContact O-N 2.92Å; W202-Q205 VanDerWaalsContact O-N 3.08Å; Q205-T313 PolarHBondContact OE1-O 3.18Å; Q205-T313 PolarHBondContact OE1-OG1 3.12Å; Q205-F315 HydrophobicContact CG-CE2 3.88Å; Q205-F315 HydrophobicContact CG-CZ 4.45Å; Q205-L328 HydrophobicContact CB-CD2 3.95Å; Q205-L328 HydrophobicContact CG-CD1 3.67Å; Q205-L328 HydrophobicContact CG-CD2 3.83Å; Q205-L328 HydrophobicContact CG-CG 4.42Å; Q205-P375 VanDerWaalsContact OE1-CD 3.28Å
206	A	98.6	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.3	168.2	0	0	0	0	0	110.8	W204 G217 A218 L226 S245 F246	W204-A206 PolarHBondContact O-N 2.87Å; A206-G217 WeakPolarHBondContact O-CA 3.09Å; A206-A218 HydrophobicContact CB-CB 4.11Å; A206-A218 PolarHBondContact N-O 2.98Å; A206-A218 PolarHBondContact O-N 3.35Å; A206-L226 HydrophobicContact CB-CD1 4.13Å; A206-L226 HydrophobicContact CB-CD2 4.07Å; A206-S245 WeakPolarHBondContact CA-O 3.27Å; A206-F246 HydrophobicContact CB-CD1 4.1Å; A206-F246 HydrophobicContact CB-CE1 3.81Å; A206-F246 HydrophobicContact CB-CZ 4.37Å
207	S	98.6	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.6	167.9	160.5	0	0	0	0	108.4	H214 A244 S245	S207-H214 PolarHBondContact OG-ND1 2.88Å; S207-A244 CarbonylContact O-C 3.4Å; S207-A244 WeakPolarHBondContact O-CA 3.36Å; S207-S245 WeakPolarHBondContact CB-OG 3.41Å; S207-S245 PolarHBondContact N-O 3.09Å; S207-S245 PolarHBondContact O-N 3.17Å
208	L	98.7	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.6	172.6	-68.1	173.8	0	0	0	109.3	R215 C216 A218 L226 F233 W242 T243 A244 L259	L208-R215 PolarHBondContact O-N 2.99Å; L208-C216 HydrophobicContact CB-CB 4.38Å; L208-C216 WeakPolarHBondContact CB-O 3.38Å; L208-C216 HydrophobicContact CD1-CB 4.33Å; L208-C216 PolarHBondContact N-O 3.35Å; L208-C216 PolarHBondContact O-N 3Å; L208-A218 HydrophobicContact CD1-CB 3.79Å; L208-A218 HydrophobicContact CD2-CB 4.3Å; L208-A218 HydrophobicContact CG-CB 3.78Å; L208-L226 HydrophobicContact CD2-CD1 4.13Å; L208-F233 HydrophobicContact CD1-CE1 4.29Å; L208-F233 HydrophobicContact CD1-CE2 4.24Å; L208-F233 HydrophobicContact CD1-CZ 3.54Å; L208-W242 HydrophobicContact CB-CE3 4.02Å; L208-W242 HydrophobicContact CB-CZ3 3.76Å; L208-T243 WeakPolarHBondContact CA-O 3.3Å; L208-A244 HydrophobicContact CD2-CB 4.14Å; L208-L259 HydrophobicContact CD2-CD1 4.25Å
209	Q	98.4	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.5	-176.5	-56.8	172	27.2	0	0	110	G212 S213 W242 T243 S245 K256	Q209-G212 PolarHBondContact OE1-O 3.18Å; Q209-S213 CarbonylContact C-O 3.48Å; Q209-S213 WeakPolarHBondContact CA-O 3.42Å; Q209-W242 VanDerWaalsContact C-CE3 3.47Å; Q209-W242 WeakPolarHBondContact O-CA 3.34Å; Q209-T243 PolarHBondContact N-O 3.07Å; Q209-T243 PolarHBondContact O-N 3.21Å; Q209-S245 VanDerWaalsContact NE2-CB 3.31Å; Q209-S245 PolarHBondContact NE2-OG 3.28Å; Q209-K256 VanDerWaalsContact OE1-NZ 3.1Å
210	W	97.9	Very high	97	Very high	22 Å²	22	18.5 Å²	18.5	8%	0.083	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119	169.5	176.2	-88.9	0	0	0	108.5	G212 S213 R215 Y236 N238 R241 W242	W210-G212 PolarHBondContact O-N 3.13Å; W210-S213 PolarHBondContact N-O 2.97Å; W210-S213 PolarHBondContact O-N 2.84Å; W210-R215 HydrophobicContact CB-CG 3.83Å; W210-Y236 AromaticContact CD2-CD1 3.89Å; W210-Y236 HydrophobicContact CD2-CD1 3.89Å; W210-Y236 AromaticContact CD2-CG 3.94Å; W210-Y236 HydrophobicContact CD2-CG 3.94Å; W210-Y236 AromaticContact CE2-CD1 3.5Å; W210-Y236 HydrophobicContact CE3-CG 4.28Å; W210-Y236 HydrophobicContact CG-CD1 4.25Å; W210-Y236 HydrophobicContact CG-CG 4.24Å; W210-Y236 HydrophobicContact CH2-CD1 4.29Å; W210-Y236 AromaticContact CZ2-CD1 3.73Å; W210-Y236 HydrophobicContact CZ2-CD1 3.73Å; W210-Y236 HydrophobicContact CZ2-CG 4.38Å; W210-Y236 AromaticContact NE1-CD1 3.77Å; W210-N238 HydrophobicContact CH2-CB 4.02Å; W210-N238 HydrophobicContact CZ3-CB 4.3Å; W210-N238 WeakPolarHBondContact CZ3-O 3.42Å; W210-R241 HydrophobicContact CD2-CB 4.08Å; W210-R241 HydrophobicContact CE3-CB 3.69Å; W210-R241 HydrophobicContact CH2-CB 3.72Å; W210-R241 HydrophobicContact CH2-CG 4.23Å; W210-R241 HydrophobicContact CZ2-CB 4Å; W210-R241 HydrophobicContact CZ2-CG 4.38Å; W210-R241 HydrophobicContact CZ3-CB 3.53Å; W210-R241 HydrophobicContact CZ3-CG 4.49Å; W210-W242 HydrophobicContact CB-CD2 4.36Å; W210-W242 HydrophobicContact CB-CE3 4.11Å; W210-W242 HydrophobicContact CB-CH2 4.08Å; W210-W242 HydrophobicContact CB-CZ2 4.33Å; W210-W242 HydrophobicContact CB-CZ3 3.96Å; W210-W242 AromaticContact CE3-CD1 3.54Å; W210-W242 AromaticContact CE3-CD2 3.85Å; W210-W242 HydrophobicContact CE3-CD2 3.85Å; W210-W242 AromaticContact CE3-CE2 3.51Å; W210-W242 AromaticContact CE3-CG 3.9Å; W210-W242 HydrophobicContact CE3-CG 3.9Å; W210-W242 HydrophobicContact CE3-CZ2 4.14Å; W210-W242 AromaticContact CE3-NE1 3.29Å; W210-W242 VanDerWaalsContact CE3-NE1 3.29Å; W210-W242 AromaticContact CZ3-CD1 3.61Å; W210-W242 HydrophobicContact CZ3-CG 4.36Å; W210-W242 AromaticContact CZ3-NE1 3.44Å
211	D	97.1	Very high	97.5	Very high	82 Å²	82	18.5 Å²	18.5	44%	0.439	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	43.5	-172.8	-53.3	-47.9	0	0	0	113.3	S213 R241	D211-S213 PolarHBondContact O-N 2.9Å; D211-R241 VanDerWaalsContact CG-NH2 3.3Å; D211-R241 PolarHBondContact N-O 2.86Å; D211-R241 IonicContact OD1-CZ 3.54Å; D211-R241 IonicContact OD1-NE 2.69Å; D211-R241 PolarHBondContact OD1-NE 2.92Å; D211-R241 IonicContact OD1-NH2 3.83Å; D211-R241 PolarHBondContact OD1-NH2 3.47Å; D211-R241 IonicContact OD2-CZ 2.79Å; D211-R241 IonicContact OD2-NE 2.85Å; D211-R241 PolarHBondContact OD2-NE 2.92Å; D211-R241 IonicContact OD2-NH2 2.73Å; D211-R241 PolarHBondContact OD2-NH2 3.49Å
212	G	95.6	Very high	97.8	Very high	45 Å²	45	20 Å²	20	46%	0.464	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-2.4	179	0	0	0	0	0	115.4	Q209 W210	Q209-G212 PolarHBondContact OE1-O 3.18Å; W210-G212 PolarHBondContact O-N 3.13Å
213	S	96.1	Very high	97.9	Very high	70 Å²	70	20.5 Å²	20.5	49%	0.49	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.4	175.5	-62.4	0	0	0	0	110.8	Q209 W210 D211 R215	Q209-S213 CarbonylContact C-O 3.48Å; Q209-S213 WeakPolarHBondContact CA-O 3.42Å; W210-S213 PolarHBondContact N-O 2.97Å; W210-S213 PolarHBondContact O-N 2.84Å; D211-S213 PolarHBondContact O-N 2.9Å; S213-R215 PolarHBondContact O-N 2.85Å
214	H	96.8	Very high	97.9	Very high	23 Å²	23	22.1 Å²	22.1	11%	0.106	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	136.6	176.3	175	75.8	0	0	0	111.6	S207 C216 I250 G370	S207-H214 PolarHBondContact OG-ND1 2.88Å; H214-C216 VanDerWaalsContact CE1-C 3.43Å; H214-C216 PolarHBondContact CE1-O 2.88Å; H214-I250 HydrophobicContact CB-CD1 3.76Å; H214-G370 PolarHBondContact NE2-O 3.32Å
215	R	95.7	Very high	97.9	Very high	111 Å²	111	22.9 Å²	22.9	42%	0.419	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-42.4	179.2	-67.1	-66.9	-174.4	168.5	-0.9	112.7	L208 W210 S213 Y236 W242	L208-R215 PolarHBondContact O-N 2.99Å; W210-R215 HydrophobicContact CB-CG 3.83Å; S213-R215 PolarHBondContact O-N 2.85Å; R215-Y236 PolarHBondContact NH2-OH 3.22Å; R215-W242 HydrophobicContact CB-CH2 3.73Å; R215-W242 HydrophobicContact CB-CZ3 3.9Å; R215-W242 HydrophobicContact CG-CH2 3.99Å; R215-W242 HydrophobicContact CG-CZ3 4.16Å
216	C	97.9	Very high	98	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.1	-175.7	-79.1	0	0	0	0	111	L208 H214 C232 S372	L208-C216 HydrophobicContact CB-CB 4.38Å; L208-C216 WeakPolarHBondContact CB-O 3.38Å; L208-C216 HydrophobicContact CD1-CB 4.33Å; L208-C216 PolarHBondContact N-O 3.35Å; L208-C216 PolarHBondContact O-N 3Å; H214-C216 VanDerWaalsContact CE1-C 3.43Å; H214-C216 PolarHBondContact CE1-O 2.88Å; C216-C232 HydrophobicContact CB-CB 3.83Å; C216-C232 WeakPolarHBondContact CB-SG 3.32Å; C216-C232 WeakPolarHBondContact SG-CB 3.5Å; C216-C232 CovalentContact SG-SG 2.03Å; C216-C232 PolarHBondContact SG-SG 2.93Å; C216-S372 CarbonylContact C-O 3.55Å; C216-S372 WeakPolarHBondContact CA-O 3.43Å; C216-S372 WeakPolarHBondContact CB-O 3.47Å
217	G	98.3	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	165.7	159.1	0	0	0	0	0	112.5	A206 S228 S372 G373	A206-G217 WeakPolarHBondContact O-CA 3.09Å; G217-S228 PolarHBondContact O-OG 3.18Å; G217-S372 PolarHBondContact N-O 2.82Å; G217-G373 VanDerWaalsContact C-C 3.5Å; G217-G373 CarbonylContact C-O 3.56Å; G217-G373 CarbonylContact O-C 3.56Å; G217-G373 VanDerWaalsContact O-C 3.24Å; G217-G373 WeakPolarHBondContact O-CA 3.23Å
218	A	98.8	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	168.7	166.4	0	0	0	0	0	109.5	A206 L208 L226 V227 G373	A206-A218 HydrophobicContact CB-CB 4.11Å; A206-A218 PolarHBondContact N-O 2.98Å; A206-A218 PolarHBondContact O-N 3.35Å; L208-A218 HydrophobicContact CD1-CB 3.79Å; L208-A218 HydrophobicContact CD2-CB 4.3Å; L208-A218 HydrophobicContact CG-CB 3.78Å; A218-L226 HydrophobicContact CB-CB 4.19Å; A218-L226 HydrophobicContact CB-CD1 4.07Å; A218-V227 WeakPolarHBondContact CA-O 3.4Å; A218-G373 WeakPolarHBondContact CA-O 3.15Å
219	T	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.8	-176.4	-50.4	0	0	0	0	111	W204 I221 L226 V227 V295 P375 L387	W204-T219 HydrophobicContact CB-CG2 4.07Å; W204-T219 HydrophobicContact CG-CG2 4.2Å; W204-T219 WeakPolarHBondContact O-CA 3.43Å; T219-I221 PolarHBondContact O-N 2.93Å; T219-L226 CarbonylContact O-C 3.47Å; T219-L226 VanDerWaalsContact O-CA 3.25Å; T219-L226 WeakPolarHBondContact O-CA 3.37Å; T219-V227 PolarHBondContact N-O 3.04Å; T219-V227 PolarHBondContact O-N 2.88Å; T219-V295 HydrophobicContact CG2-CB 4.21Å; T219-V295 HydrophobicContact CG2-CG1 3.54Å; T219-P375 HydrophobicContact CG2-CB 4.08Å; T219-P375 VanDerWaalsContact OG1-CB 3.3Å; T219-P375 WeakPolarHBondContact OG1-CB 3.32Å; T219-L387 HydrophobicContact CG2-CD1 4.18Å; T219-L387 HydrophobicContact CG2-CD2 4.24Å
220	L	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.8	176.4	-169.3	69.5	0	0	0	111.1	W204 N222 L226 F246 L282 V286 V292 R294 V295	W204-L220 HydrophobicContact CB-CB 4.21Å; W204-L220 PolarHBondContact O-N 3.39Å; L220-N222 WeakPolarHBondContact CD1-O 3.27Å; L220-L226 HydrophobicContact CB-CD2 4Å; L220-L226 HydrophobicContact CD1-CD2 3.65Å; L220-L226 HydrophobicContact CG-CD2 4.46Å; L220-F246 HydrophobicContact CB-CE1 4.27Å; L220-F246 HydrophobicContact CD1-CE1 3.99Å; L220-F246 HydrophobicContact CD1-CZ 4.2Å; L220-F246 HydrophobicContact CD2-CE1 4.26Å; L220-F246 HydrophobicContact CG-CE1 4.42Å; L220-L282 HydrophobicContact CD1-CD1 4.29Å; L220-V286 HydrophobicContact CD1-CG2 3.79Å; L220-V286 HydrophobicContact CD2-CG2 3.63Å; L220-V286 HydrophobicContact CG-CG2 4.35Å; L220-V292 HydrophobicContact CD2-CG1 3.96Å; L220-R294 VanDerWaalsContact O-CA 3.25Å; L220-R294 WeakPolarHBondContact O-CA 3.07Å; L220-R294 WeakPolarHBondContact O-CB 3.42Å; L220-V295 PolarHBondContact O-N 3.24Å
221	I	98.6	Very high	98	Very high	3 Å²	3	24 Å²	24	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-18.6	179.9	55.7	164.8	0	0	0	112.4	T219 W225 V227 L279 R294 V295 L297 L387 I416 I422	T219-I221 PolarHBondContact O-N 2.93Å; I221-W225 HydrophobicContact CD1-CB 4.17Å; I221-W225 HydrophobicContact CG1-CB 3.91Å; I221-W225 VanDerWaalsContact CG1-O 3.3Å; I221-W225 WeakPolarHBondContact CG1-O 3.36Å; I221-W225 PolarHBondContact N-O 3.27Å; I221-V227 HydrophobicContact CD1-CB 4.19Å; I221-V227 HydrophobicContact CG2-CB 4.37Å; I221-V227 HydrophobicContact CG2-CG1 3.66Å; I221-L279 HydrophobicContact CD1-CD2 3.83Å; I221-R294 WeakPolarHBondContact O-CD 3.47Å; I221-V295 HydrophobicContact CG2-CG1 4.08Å; I221-L297 HydrophobicContact CB-CD1 4.17Å; I221-L297 HydrophobicContact CB-CG 4.33Å; I221-L297 HydrophobicContact CD1-CD1 4.24Å; I221-L297 HydrophobicContact CG2-CD1 4.28Å; I221-L297 HydrophobicContact CG2-CD2 3.81Å; I221-L297 HydrophobicContact CG2-CG 4.05Å; I221-L387 HydrophobicContact CG2-CD2 4.48Å; I221-I416 HydrophobicContact CD1-CG2 3.97Å; I221-I422 HydrophobicContact CD1-CD1 4.13Å; I221-I422 HydrophobicContact CG1-CD1 4.35Å
222	N	97.9	Very high	98	Very high	42 Å²	42	20.5 Å²	20.5	23%	0.225	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.2	172.2	-179.1	-77.6	0	0	0	109.4	L220 T224 W225 I422	L220-N222 WeakPolarHBondContact CD1-O 3.27Å; N222-T224 PolarHBondContact O-N 2.89Å; N222-T224 PolarHBondContact OD1-N 3.02Å; N222-T224 PolarHBondContact OD1-OG1 3.46Å; N222-W225 HydrophobicContact CB-CB 4.11Å; N222-W225 PolarHBondContact N-O 2.9Å; N222-W225 PolarHBondContact O-N 3.03Å; N222-W225 VanDerWaalsContact O-N 3.15Å; N222-I422 HydrophobicContact CB-CD1 3.42Å; N222-I422 VanDerWaalsContact CB-CD1 3.42Å; N222-I422 HydrophobicContact CB-CG1 4.25Å
223	A	98.3	Very high	98.1	Very high	20 Å²	20	18.6 Å²	18.6	17%	0.165	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.6	179.5	0	0	0	0	0	113.5	P285 V286 Y288	A223-P285 HydrophobicContact CB-CB 4.11Å; A223-P285 CarbonylContact O-C 3.58Å; A223-P285 VanDerWaalsContact O-CA 3.25Å; A223-P285 WeakPolarHBondContact O-CA 3.45Å; A223-V286 WeakPolarHBondContact O-CG2 3.33Å; A223-V286 PolarHBondContact O-N 2.88Å; A223-Y288 HydrophobicContact CB-CE1 4.05Å; A223-Y288 PolarHBondContact N-OH 2.83Å
224	T	98.6	Very high	97.9	Very high	36 Å²	36	17.1 Å²	17.1	22%	0.221	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	0.6	178.1	55.5	0	0	0	0	114.6	N222 E281 L282 P285	N222-T224 PolarHBondContact O-N 2.89Å; N222-T224 PolarHBondContact OD1-N 3.02Å; N222-T224 PolarHBondContact OD1-OG1 3.46Å; T224-E281 CarbonylContact O-C 3.59Å; T224-E281 WeakPolarHBondContact O-CA 3.42Å; T224-L282 PolarHBondContact O-N 3.18Å; T224-P285 HydrophobicContact CG2-CB 3.81Å
225	W	98.8	Very high	97.7	Very high	17 Å²	17	21.3 Å²	21.3	6%	0.064	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131	-174.9	-72	101.1	0	0	0	113.1	I221 N222 R261 I263 L279 E281 T420 I422	I221-W225 HydrophobicContact CD1-CB 4.17Å; I221-W225 HydrophobicContact CG1-CB 3.91Å; I221-W225 VanDerWaalsContact CG1-O 3.3Å; I221-W225 WeakPolarHBondContact CG1-O 3.36Å; I221-W225 PolarHBondContact N-O 3.27Å; N222-W225 HydrophobicContact CB-CB 4.11Å; N222-W225 PolarHBondContact N-O 2.9Å; N222-W225 PolarHBondContact O-N 3.03Å; N222-W225 VanDerWaalsContact O-N 3.15Å; W225-R261 VanDerWaalsContact CZ2-NH2 3.27Å; W225-I263 HydrophobicContact CH2-CD1 3.81Å; W225-I263 HydrophobicContact CZ3-CD1 4.14Å; W225-L279 HydrophobicContact CE3-CB 3.95Å; W225-L279 HydrophobicContact CZ3-CB 3.76Å; W225-E281 HydrophobicContact CD2-CB 4.36Å; W225-E281 HydrophobicContact CD2-CG 4.37Å; W225-E281 HydrophobicContact CE3-CB 3.99Å; W225-E281 HydrophobicContact CE3-CG 4.48Å; W225-E281 HydrophobicContact CH2-CB 3.85Å; W225-E281 HydrophobicContact CH2-CG 4.2Å; W225-E281 HydrophobicContact CZ2-CB 4.21Å; W225-E281 HydrophobicContact CZ2-CG 4.04Å; W225-E281 HydrophobicContact CZ3-CB 3.71Å; W225-E281 HydrophobicContact CZ3-CG 4.4Å; W225-T420 HydrophobicContact CD2-CG2 3.66Å; W225-T420 HydrophobicContact CE3-CG2 3.93Å; W225-T420 HydrophobicContact CG-CG2 4.06Å; W225-T420 HydrophobicContact CH2-CG2 4.26Å; W225-T420 HydrophobicContact CZ2-CG2 4.04Å; W225-T420 HydrophobicContact CZ3-CG2 4.22Å; W225-I422 HydrophobicContact CB-CD1 4.07Å; W225-I422 HydrophobicContact CG-CD1 4.14Å
226	L	98.9	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.8	165.5	-59.4	-179.7	0	0	0	110.2	A206 L208 A218 T219 L220 A244 F246 L279 A280 L282	A206-L226 HydrophobicContact CB-CD1 4.13Å; A206-L226 HydrophobicContact CB-CD2 4.07Å; L208-L226 HydrophobicContact CD2-CD1 4.13Å; A218-L226 HydrophobicContact CB-CB 4.19Å; A218-L226 HydrophobicContact CB-CD1 4.07Å; T219-L226 CarbonylContact O-C 3.47Å; T219-L226 VanDerWaalsContact O-CA 3.25Å; T219-L226 WeakPolarHBondContact O-CA 3.37Å; L220-L226 HydrophobicContact CB-CD2 4Å; L220-L226 HydrophobicContact CD1-CD2 3.65Å; L220-L226 HydrophobicContact CG-CD2 4.46Å; L226-A244 HydrophobicContact CD1-CB 3.57Å; L226-F246 HydrophobicContact CD2-CE1 3.99Å; L226-F246 HydrophobicContact CD2-CZ 4.02Å; L226-L279 WeakPolarHBondContact O-CA 3.16Å; L226-A280 HydrophobicContact CB-CB 4.24Å; L226-A280 PolarHBondContact N-O 3.08Å; L226-A280 PolarHBondContact O-N 3.47Å; L226-L282 HydrophobicContact CD1-CD2 3.76Å; L226-L282 HydrophobicContact CG-CD2 3.94Å; L226-L282 HydrophobicContact CG-CG 4.36Å
227	V	98.9	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.1	163.6	67.3	0	0	0	0	109.6	A218 T219 I221 I277 S278 L279 L387 I390 I416	A218-V227 WeakPolarHBondContact CA-O 3.4Å; T219-V227 PolarHBondContact N-O 3.04Å; T219-V227 PolarHBondContact O-N 2.88Å; I221-V227 HydrophobicContact CD1-CB 4.19Å; I221-V227 HydrophobicContact CG2-CB 4.37Å; I221-V227 HydrophobicContact CG2-CG1 3.66Å; V227-I277 HydrophobicContact CG2-CD1 3.91Å; V227-I277 HydrophobicContact CG2-CG1 3.84Å; V227-S278 WeakPolarHBondContact CA-O 3.48Å; V227-S278 WeakPolarHBondContact CG2-O 3.27Å; V227-L279 HydrophobicContact CB-CD2 4.06Å; V227-L279 HydrophobicContact CG2-CD2 4.14Å; V227-L387 HydrophobicContact CG1-CD2 3.47Å; V227-L387 VanDerWaalsContact CG1-CD2 3.47Å; V227-I390 HydrophobicContact CG2-CD1 3.61Å; V227-I416 HydrophobicContact CG2-CD1 4.5Å
228	S	98.8	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-172.6	-179.8	-170.7	0	0	0	0	109.7	G217 I277 S278 G373	G217-S228 PolarHBondContact O-OG 3.18Å; S228-I277 WeakPolarHBondContact O-CA 3.07Å; S228-S278 PolarHBondContact N-O 3.07Å; S228-S278 PolarHBondContact O-N 2.85Å; S228-S278 PolarHBondContact O-OG 3.19Å; S228-G373 WeakPolarHBondContact OG-CA 3.19Å
229	A	98.6	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.			trans	-82.7	149.5	175.5	0	0	0	0	0	110.6	H231 S278 I390	A229-H231 VanDerWaalsContact C-N 3.33Å; A229-H231 WeakPolarHBondContact CB-ND1 3.21Å; A229-S278 VanDerWaalsContact C-OG 3.29Å; A229-S278 PolarHBondContact O-OG 2.86Å; A229-I390 HydrophobicContact CB-CG2 4.24Å
230	A	98.5	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-66.1	-38.9	175.4	0	0	0	0	0	111.6	C232 F233 V264 Y268 D276 I277	A230-C232 PolarHBondContact O-N 3.21Å; A230-C232 VanDerWaalsContact O-N 3.15Å; A230-F233 PolarHBondContact O-N 3.37Å; A230-V264 HydrophobicContact CB-CG1 3.67Å; A230-Y268 HydrophobicContact CB-CD1 3.58Å; A230-Y268 HydrophobicContact CB-CD2 3.56Å; A230-Y268 HydrophobicContact CB-CE1 3.87Å; A230-Y268 HydrophobicContact CB-CE2 3.87Å; A230-Y268 HydrophobicContact CB-CG 3.41Å; A230-Y268 VanDerWaalsContact CB-CG 3.41Å; A230-D276 WeakPolarHBondContact CA-OD1 3.35Å; A230-D276 VanDerWaalsContact CB-OD1 3.32Å; A230-D276 WeakPolarHBondContact CB-OD1 3.27Å; A230-D276 PolarHBondContact N-OD1 2.97Å; A230-I277 WeakPolarHBondContact CB-O 3.47Å
231	H	97.4	Very high	97.1	Very high	47 Å²	47	41.9 Å²	41.9	22%	0.218	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.1	-173.6	74	-102.3	0	0	0	112.8	A229 F233 T234 Y268 D276 S372 S392	A229-H231 VanDerWaalsContact C-N 3.33Å; A229-H231 WeakPolarHBondContact CB-ND1 3.21Å; H231-F233 PolarHBondContact O-N 3.06Å; H231-F233 VanDerWaalsContact O-N 3.1Å; H231-T234 WeakPolarHBondContact CA-OG1 3.4Å; H231-T234 WeakPolarHBondContact O-CB 3.4Å; H231-T234 PolarHBondContact O-N 2.88Å; H231-T234 VanDerWaalsContact O-N 3.12Å; H231-T234 PolarHBondContact O-OG1 2.86Å; H231-T234 VanDerWaalsContact O-OG1 3.09Å; H231-Y268 WeakPolarHBondContact CA-OH 3.49Å; H231-Y268 WeakPolarHBondContact CB-OH 3.38Å; H231-D276 IonicContact CE1-OD2 3.25Å; H231-D276 IonicContact CG-OD1 3.19Å; H231-D276 IonicContact CG-OD2 3.49Å; H231-D276 PolarHBondContact N-OD1 3.46Å; H231-D276 IonicContact ND1-OD1 3.39Å; H231-D276 PolarHBondContact ND1-OD1 3.33Å; H231-D276 IonicContact ND1-OD2 3.17Å; H231-D276 PolarHBondContact ND1-OD2 2.86Å; H231-S372 PolarHBondContact CE1-OG 2.88Å; H231-S372 WeakPolarHBondContact NE2-CB 3.24Å; H231-S372 PolarHBondContact NE2-OG 3.44Å; H231-S392 PolarHBondContact CE1-O 2.93Å
232	C	97.5	Very high	97.1	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.068	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.4	-28.7	175.1	-66.7	0	0	0	0	113.7	C216 A230 W242	C216-C232 HydrophobicContact CB-CB 3.83Å; C216-C232 WeakPolarHBondContact CB-SG 3.32Å; C216-C232 WeakPolarHBondContact SG-CB 3.5Å; C216-C232 CovalentContact SG-SG 2.03Å; C216-C232 PolarHBondContact SG-SG 2.93Å; A230-C232 PolarHBondContact O-N 3.21Å; A230-C232 VanDerWaalsContact O-N 3.15Å; C232-W242 WeakPolarHBondContact O-CZ2 3.34Å
233	F	97.3	Very high	97.2	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-109.7	9.2	-175.7	-57.4	-68.2	0	0	0	113.4	L208 A230 H231 K237 W242 L259 I262 V264 S278 A280	L208-F233 HydrophobicContact CD1-CE1 4.29Å; L208-F233 HydrophobicContact CD1-CE2 4.24Å; L208-F233 HydrophobicContact CD1-CZ 3.54Å; A230-F233 PolarHBondContact O-N 3.37Å; H231-F233 PolarHBondContact O-N 3.06Å; H231-F233 VanDerWaalsContact O-N 3.1Å; F233-K237 VanDerWaalsContact O-CG 3.32Å; F233-K237 WeakPolarHBondContact O-CG 3.36Å; F233-W242 HydrophobicContact CD1-CD2 4.44Å; F233-W242 AromaticContact CD1-CE2 3.71Å; F233-W242 AromaticContact CD1-CZ2 3.81Å; F233-W242 HydrophobicContact CD1-CZ2 3.81Å; F233-W242 AromaticContact CD1-NE1 3.67Å; F233-W242 AromaticContact CE1-CD2 3.99Å; F233-W242 HydrophobicContact CE1-CD2 3.99Å; F233-W242 AromaticContact CE1-CE2 3.71Å; F233-W242 HydrophobicContact CE1-CE3 4.48Å; F233-W242 HydrophobicContact CE1-CG 4.34Å; F233-W242 HydrophobicContact CE1-CH2 4.47Å; F233-W242 AromaticContact CE1-CZ2 3.97Å; F233-W242 HydrophobicContact CE1-CZ2 3.97Å; F233-W242 AromaticContact CE1-NE1 3.9Å; F233-L259 HydrophobicContact CE1-CD1 4.31Å; F233-I262 HydrophobicContact CB-CG2 4.02Å; F233-I262 HydrophobicContact CD1-CD1 3.66Å; F233-I262 HydrophobicContact CD1-CG1 4.33Å; F233-I262 HydrophobicContact CD1-CG2 3.88Å; F233-I262 HydrophobicContact CD2-CG2 3.77Å; F233-I262 HydrophobicContact CE1-CD1 3.7Å; F233-I262 HydrophobicContact CE1-CG1 4.15Å; F233-I262 HydrophobicContact CE1-CG2 4.23Å; F233-I262 HydrophobicContact CE2-CG2 4.14Å; F233-I262 HydrophobicContact CG-CD1 4.47Å; F233-I262 HydrophobicContact CG-CG2 3.61Å; F233-I262 HydrophobicContact CZ-CG2 4.33Å; F233-V264 HydrophobicContact CB-CG2 4.06Å; F233-S278 VanDerWaalsContact CD2-OG 3.28Å; F233-S278 WeakPolarHBondContact CD2-OG 3.23Å; F233-S278 WeakPolarHBondContact CE2-OG 3.29Å; F233-A280 HydrophobicContact CZ-CB 4.4Å
234	T	92.2	Very high	97.2	Very high	38 Å²	38	40.8 Å²	40.8	23%	0.233	22%	0.217	C	C	.	.	S	Bend	trans	-67.1	-48.2	-177.4	-53.8	0	0	0	0	111.8	H231 K237 Y268 Y270	H231-T234 WeakPolarHBondContact CA-OG1 3.4Å; H231-T234 WeakPolarHBondContact O-CB 3.4Å; H231-T234 PolarHBondContact O-N 2.88Å; H231-T234 VanDerWaalsContact O-N 3.12Å; H231-T234 PolarHBondContact O-OG1 2.86Å; H231-T234 VanDerWaalsContact O-OG1 3.09Å; T234-K237 WeakPolarHBondContact O-CE 3.32Å; T234-Y268 WeakPolarHBondContact OG1-CE1 3.44Å; T234-Y268 PolarHBondContact OG1-OH 3.46Å; T234-Y270 HydrophobicContact CG2-CG 4.24Å
235	T	92.3	Very high	97.2	Very high	112 Å²	112	39.2 Å²	39.2	69%	0.687	21%	0.208	S	C	*	.	S	Bend	trans	-88.8	-41.9	-178.9	-50.6	0	0	0	0	111.6
236	Y	93.1	Very high	97.2	Very high	74 Å²	74	38.5 Å²	38.5	29%	0.29	21%	0.205	S	C	.	.			trans	-104.5	85.8	-171.4	-59.1	-61.2	0	0	0	110.5	W210 R215 W242	W210-Y236 AromaticContact CD2-CD1 3.89Å; W210-Y236 HydrophobicContact CD2-CD1 3.89Å; W210-Y236 AromaticContact CD2-CG 3.94Å; W210-Y236 HydrophobicContact CD2-CG 3.94Å; W210-Y236 AromaticContact CE2-CD1 3.5Å; W210-Y236 HydrophobicContact CE3-CG 4.28Å; W210-Y236 HydrophobicContact CG-CD1 4.25Å; W210-Y236 HydrophobicContact CG-CG 4.24Å; W210-Y236 HydrophobicContact CH2-CD1 4.29Å; W210-Y236 AromaticContact CZ2-CD1 3.73Å; W210-Y236 HydrophobicContact CZ2-CD1 3.73Å; W210-Y236 HydrophobicContact CZ2-CG 4.38Å; W210-Y236 AromaticContact NE1-CD1 3.77Å; R215-Y236 PolarHBondContact NH2-OH 3.22Å; Y236-W242 PolarHBondContact O-NE1 2.66Å
237	K	92.9	Very high	97	Very high	152 Å²	152	38.9 Å²	38.9	66%	0.661	21%	0.209	S	C	*	.			trans	-92.6	-21.4	-168.6	-63.8	-179.1	-174.7	-176.7	0	115.4	F233 T234 P239	F233-K237 VanDerWaalsContact O-CG 3.32Å; F233-K237 WeakPolarHBondContact O-CG 3.36Å; T234-K237 WeakPolarHBondContact O-CE 3.32Å; K237-P239 WeakPolarHBondContact O-CD 2.95Å
238	N	97.2	Very high	96.8	Very high	83 Å²	83	39.9 Å²	39.9	44%	0.444	22%	0.215	S	C	.	.			trans	-75.7	110.7	-171.8	-177.2	-3.8	0	0	0	111.6	W210 A240 R241 W242	W210-N238 HydrophobicContact CH2-CB 4.02Å; W210-N238 HydrophobicContact CZ3-CB 4.3Å; W210-N238 WeakPolarHBondContact CZ3-O 3.42Å; N238-A240 PolarHBondContact O-N 3.38Å; N238-A240 VanDerWaalsContact O-N 3.16Å; N238-A240 WeakPolarHBondContact OD1-CB 3.34Å; N238-A240 PolarHBondContact OD1-N 2.7Å; N238-R241 PolarHBondContact O-N 3.11Å; N238-W242 VanDerWaalsContact O-CD1 3.32Å
239	P	97.5	Very high	96.7	Very high	35 Å²	35	41.5 Å²	41.5	23%	0.227	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.5	-29.3	-178.5	-21.7	33.8	0	0	0	113.8	K237 R241 W242 L259 I262	K237-P239 WeakPolarHBondContact O-CD 2.95Å; P239-R241 PolarHBondContact O-N 3.25Å; P239-W242 PolarHBondContact O-N 2.93Å; P239-L259 HydrophobicContact CB-CB 4.22Å; P239-I262 HydrophobicContact CB-CD1 4.07Å; P239-I262 HydrophobicContact CB-CG1 4.32Å; P239-I262 HydrophobicContact CG-CD1 3.97Å; P239-I262 HydrophobicContact CG-CG1 4.18Å
240	A	97.9	Very high	96.5	Very high	87 Å²	87	42.1 Å²	42.1	72%	0.719	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.4	-20.4	-177	0	0	0	0	0	113.9	N238	N238-A240 PolarHBondContact O-N 3.38Å; N238-A240 VanDerWaalsContact O-N 3.16Å; N238-A240 WeakPolarHBondContact OD1-CB 3.34Å; N238-A240 PolarHBondContact OD1-N 2.7Å
241	R	98.3	Very high	96.3	Very high	118 Å²	118	46.4 Å²	46.4	45%	0.445	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-95.6	-6.7	177	-67.5	-178.8	73.3	165.8	10.5	113.1	W210 D211 N238 P239	W210-R241 HydrophobicContact CD2-CB 4.08Å; W210-R241 HydrophobicContact CE3-CB 3.69Å; W210-R241 HydrophobicContact CH2-CB 3.72Å; W210-R241 HydrophobicContact CH2-CG 4.23Å; W210-R241 HydrophobicContact CZ2-CB 4Å; W210-R241 HydrophobicContact CZ2-CG 4.38Å; W210-R241 HydrophobicContact CZ3-CB 3.53Å; W210-R241 HydrophobicContact CZ3-CG 4.49Å; D211-R241 VanDerWaalsContact CG-NH2 3.3Å; D211-R241 PolarHBondContact N-O 2.86Å; D211-R241 IonicContact OD1-CZ 3.54Å; D211-R241 IonicContact OD1-NE 2.69Å; D211-R241 PolarHBondContact OD1-NE 2.92Å; D211-R241 IonicContact OD1-NH2 3.83Å; D211-R241 PolarHBondContact OD1-NH2 3.47Å; D211-R241 IonicContact OD2-CZ 2.79Å; D211-R241 IonicContact OD2-NE 2.85Å; D211-R241 PolarHBondContact OD2-NE 2.92Å; D211-R241 IonicContact OD2-NH2 2.73Å; D211-R241 PolarHBondContact OD2-NH2 3.49Å; N238-R241 PolarHBondContact O-N 3.11Å; P239-R241 PolarHBondContact O-N 3.25Å
242	W	98.7	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.6	177.5	-76.6	106.6	0	0	0	111.6	L208 Q209 W210 R215 C232 F233 Y236 N238 P239 L259 I262	L208-W242 HydrophobicContact CB-CE3 4.02Å; L208-W242 HydrophobicContact CB-CZ3 3.76Å; Q209-W242 VanDerWaalsContact C-CE3 3.47Å; Q209-W242 WeakPolarHBondContact O-CA 3.34Å; W210-W242 HydrophobicContact CB-CD2 4.36Å; W210-W242 HydrophobicContact CB-CE3 4.11Å; W210-W242 HydrophobicContact CB-CH2 4.08Å; W210-W242 HydrophobicContact CB-CZ2 4.33Å; W210-W242 HydrophobicContact CB-CZ3 3.96Å; W210-W242 AromaticContact CE3-CD1 3.54Å; W210-W242 AromaticContact CE3-CD2 3.85Å; W210-W242 HydrophobicContact CE3-CD2 3.85Å; W210-W242 AromaticContact CE3-CE2 3.51Å; W210-W242 AromaticContact CE3-CG 3.9Å; W210-W242 HydrophobicContact CE3-CG 3.9Å; W210-W242 HydrophobicContact CE3-CZ2 4.14Å; W210-W242 AromaticContact CE3-NE1 3.29Å; W210-W242 VanDerWaalsContact CE3-NE1 3.29Å; W210-W242 AromaticContact CZ3-CD1 3.61Å; W210-W242 HydrophobicContact CZ3-CG 4.36Å; W210-W242 AromaticContact CZ3-NE1 3.44Å; R215-W242 HydrophobicContact CB-CH2 3.73Å; R215-W242 HydrophobicContact CB-CZ3 3.9Å; R215-W242 HydrophobicContact CG-CH2 3.99Å; R215-W242 HydrophobicContact CG-CZ3 4.16Å; C232-W242 WeakPolarHBondContact O-CZ2 3.34Å; F233-W242 HydrophobicContact CD1-CD2 4.44Å; F233-W242 AromaticContact CD1-CE2 3.71Å; F233-W242 AromaticContact CD1-CZ2 3.81Å; F233-W242 HydrophobicContact CD1-CZ2 3.81Å; F233-W242 AromaticContact CD1-NE1 3.67Å; F233-W242 AromaticContact CE1-CD2 3.99Å; F233-W242 HydrophobicContact CE1-CD2 3.99Å; F233-W242 AromaticContact CE1-CE2 3.71Å; F233-W242 HydrophobicContact CE1-CE3 4.48Å; F233-W242 HydrophobicContact CE1-CG 4.34Å; F233-W242 HydrophobicContact CE1-CH2 4.47Å; F233-W242 AromaticContact CE1-CZ2 3.97Å; F233-W242 HydrophobicContact CE1-CZ2 3.97Å; F233-W242 AromaticContact CE1-NE1 3.9Å; Y236-W242 PolarHBondContact O-NE1 2.66Å; N238-W242 VanDerWaalsContact O-CD1 3.32Å; P239-W242 PolarHBondContact O-N 2.93Å; W242-L259 HydrophobicContact CB-CB 4.26Å; W242-L259 HydrophobicContact CB-CD1 3.47Å; W242-L259 VanDerWaalsContact CB-CD1 3.47Å; W242-L259 HydrophobicContact CB-CG 3.77Å; W242-L259 HydrophobicContact CG-CD1 4.07Å; W242-L259 PolarHBondContact O-N 2.71Å; W242-I262 HydrophobicContact CG-CD1 4.33Å
243	T	98.6	Very high	96.1	Very high	42 Å²	42	50.3 Å²	50.3	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	168.2	57.3	0	0	0	0	110	L208 Q209 R257	L208-T243 WeakPolarHBondContact CA-O 3.3Å; Q209-T243 PolarHBondContact N-O 3.07Å; Q209-T243 PolarHBondContact O-N 3.21Å; T243-R257 CarbonylContact C-O 3.43Å; T243-R257 VanDerWaalsContact CA-O 3.31Å; T243-R257 WeakPolarHBondContact CA-O 3.46Å
244	A	98.8	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.5	169.9	0	0	0	0	0	109.2	S207 L208 L226 F246 K256 R257 L259 L282	S207-A244 CarbonylContact O-C 3.4Å; S207-A244 WeakPolarHBondContact O-CA 3.36Å; L208-A244 HydrophobicContact CD2-CB 4.14Å; L226-A244 HydrophobicContact CD1-CB 3.57Å; A244-F246 HydrophobicContact CB-CE2 4.34Å; A244-F246 HydrophobicContact CB-CZ 4.48Å; A244-K256 CarbonylContact O-C 3.31Å; A244-K256 VanDerWaalsContact O-CA 3.28Å; A244-K256 WeakPolarHBondContact O-CA 3.23Å; A244-R257 PolarHBondContact N-O 2.7Å; A244-R257 PolarHBondContact O-N 3.35Å; A244-L259 HydrophobicContact CB-CD2 4.29Å; A244-L282 HydrophobicContact CB-CD2 3.91Å
245	S	98.4	Very high	96.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.4	172.2	67.9	0	0	0	0	112	A206 S207 Q209 M255	A206-S245 WeakPolarHBondContact CA-O 3.27Å; S207-S245 WeakPolarHBondContact CB-OG 3.41Å; S207-S245 PolarHBondContact N-O 3.09Å; S207-S245 PolarHBondContact O-N 3.17Å; Q209-S245 VanDerWaalsContact NE2-CB 3.31Å; Q209-S245 PolarHBondContact NE2-OG 3.28Å; S245-M255 CarbonylContact C-O 3.5Å; S245-M255 VanDerWaalsContact CA-O 3.25Å; S245-M255 WeakPolarHBondContact CA-O 3.34Å
246	F	98.4	Very high	96.5	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159	-178.9	-56.7	-92.4	0	0	0	111.7	A206 L220 L226 A244 K254 M255 R257 L282 V286 V292	A206-F246 HydrophobicContact CB-CD1 4.1Å; A206-F246 HydrophobicContact CB-CE1 3.81Å; A206-F246 HydrophobicContact CB-CZ 4.37Å; L220-F246 HydrophobicContact CB-CE1 4.27Å; L220-F246 HydrophobicContact CD1-CE1 3.99Å; L220-F246 HydrophobicContact CD1-CZ 4.2Å; L220-F246 HydrophobicContact CD2-CE1 4.26Å; L220-F246 HydrophobicContact CG-CE1 4.42Å; L226-F246 HydrophobicContact CD2-CE1 3.99Å; L226-F246 HydrophobicContact CD2-CZ 4.02Å; A244-F246 HydrophobicContact CB-CE2 4.34Å; A244-F246 HydrophobicContact CB-CZ 4.48Å; F246-K254 WeakPolarHBondContact O-CB 3.37Å; F246-K254 PolarHBondContact O-N 3.46Å; F246-K254 VanDerWaalsContact O-N 3.08Å; F246-M255 HydrophobicContact CB-CB 4.47Å; F246-M255 HydrophobicContact CB-CE 4.16Å; F246-M255 HydrophobicContact CD2-CB 4.41Å; F246-M255 HydrophobicContact CD2-CE 3.63Å; F246-M255 HydrophobicContact CD2-CG 4.3Å; F246-M255 HydrophobicContact CE2-CE 4.22Å; F246-M255 HydrophobicContact CG-CE 3.95Å; F246-M255 PolarHBondContact N-O 2.91Å; F246-R257 HydrophobicContact CE2-CG 4.35Å; F246-L282 HydrophobicContact CE2-CD1 4.43Å; F246-L282 HydrophobicContact CZ-CD1 3.96Å; F246-V286 HydrophobicContact CD2-CG1 4.34Å; F246-V286 HydrophobicContact CE2-CG1 3.71Å; F246-V286 HydrophobicContact CZ-CG1 3.94Å; F246-V292 HydrophobicContact CB-CG1 4.06Å; F246-V292 HydrophobicContact CB-CG2 3.71Å; F246-V292 HydrophobicContact CD1-CG1 3.73Å; F246-V292 HydrophobicContact CE1-CG1 4.37Å; F246-V292 HydrophobicContact CG-CG1 3.94Å; F246-V292 HydrophobicContact CG-CG2 4.49Å
247	G	95.7	Very high	96.7	Very high	9 Å²	9	52.4 Å²	52.4	9%	0.093	28%	0.282	C	S	.	.	S	Bend	trans	105.4	-176.7	-174.2	0	0	0	0	0	112.2	T249	G247-T249 VanDerWaalsContact C-N 3.35Å
248	V	94.9	Very high	97	Very high	20 Å²	20	46.3 Å²	46.3	12%	0.121	26%	0.262	C	S	.	.	S	Bend	trans	-85.2	-6.8	-177	-64	0	0	0	0	113.7	V197 E199 H327 L328	V197-V248 HydrophobicContact CG1-CG1 4.08Å; E199-V248 HydrophobicContact CB-CG1 4.47Å; E199-V248 HydrophobicContact CB-CG2 4.49Å; V248-H327 CarbonylContact O-C 3.56Å; V248-H327 WeakPolarHBondContact O-CA 3.23Å; V248-L328 HydrophobicContact CB-CB 4.23Å; V248-L328 HydrophobicContact CG1-CD2 4.43Å; V248-L328 WeakPolarHBondContact O-CB 3.34Å; V248-L328 PolarHBondContact O-N 3.45Å
249	T	96.6	Very high	97.1	Very high	35 Å²	35	42.9 Å²	42.9	22%	0.215	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-128.3	141	179.5	44.9	0	0	0	0	111.5	G247 P252 S253 N326 H327	G247-T249 VanDerWaalsContact C-N 3.35Å; T249-P252 WeakPolarHBondContact CB-O 3.45Å; T249-P252 PolarHBondContact OG1-O 3.37Å; T249-S253 WeakPolarHBondContact O-CA 3.24Å; T249-N326 VanDerWaalsContact CA-O 3.32Å; T249-N326 WeakPolarHBondContact CA-O 3.49Å; T249-H327 WeakPolarHBondContact CG2-ND1 3.4Å
250	I	95	Very high	97.1	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	26%	0.26	C	S	.	.	S	Bend	trans	-72.8	-44.1	173.8	-64	170.3	0	0	0	110	H214 S253 F315 Q325 N326	H214-I250 HydrophobicContact CB-CD1 3.76Å; I250-S253 WeakPolarHBondContact O-CB 3.38Å; I250-S253 PolarHBondContact O-N 2.93Å; I250-F315 HydrophobicContact CD1-CB 3.84Å; I250-F315 HydrophobicContact CD1-CD1 3.79Å; I250-F315 HydrophobicContact CD1-CD2 4.45Å; I250-F315 HydrophobicContact CD1-CE1 4.44Å; I250-F315 HydrophobicContact CD1-CG 3.79Å; I250-F315 HydrophobicContact CG1-CD1 3.74Å; I250-F315 HydrophobicContact CG1-CD2 4.44Å; I250-F315 HydrophobicContact CG1-CE1 3.88Å; I250-F315 HydrophobicContact CG1-CG 4.03Å; I250-F315 HydrophobicContact CG1-CZ 4.31Å; I250-Q325 WeakPolarHBondContact CD1-O 3.24Å; I250-N326 PolarHBondContact N-O 3.4Å; I250-N326 PolarHBondContact N-OD1 3.28Å
251	T	93.4	Very high	97.1	Very high	90 Å²	90	49.5 Å²	49.5	55%	0.552	25%	0.246	S	C	*	.	S	Bend	trans	-138.8	118.2	179.8	-56.9	0	0	0	0	110.1	N326	T251-N326 PolarHBondContact N-OD1 2.94Å; T251-N326 PolarHBondContact O-ND2 3Å; T251-N326 PolarHBondContact O-OD1 3.01Å
252	P	94.9	Very high	97.1	Very high	107 Å²	107	45.4 Å²	45.4	70%	0.695	23%	0.233	S	C	*	.	S	Bend	cis	-69.5	138.8	-10.2	30.8	-33.7	0	0	0	111	T249	T249-P252 WeakPolarHBondContact CB-O 3.45Å; T249-P252 PolarHBondContact OG1-O 3.37Å
253	S	95.9	Very high	97.1	Very high	32 Å²	32	46.7 Å²	46.7	22%	0.224	24%	0.239	C	C	.	.			trans	-82.3	148.1	172	57.6	0	0	0	0	111.1	T249 I250 M255 K256	T249-S253 WeakPolarHBondContact O-CA 3.24Å; I250-S253 WeakPolarHBondContact O-CB 3.38Å; I250-S253 PolarHBondContact O-N 2.93Å; S253-M255 VanDerWaalsContact C-N 3.3Å; S253-M255 PolarHBondContact O-N 2.85Å; S253-K256 WeakPolarHBondContact OG-CE 3.28Å; S253-K256 WeakPolarHBondContact OG-CG 3.44Å
254	K	95.3	Very high	97.1	Very high	101 Å²	101	47.1 Å²	47.1	44%	0.439	24%	0.241	S	C	.	.	S	Bend	trans	-65.8	-36.3	172.4	-170.2	172.6	-161.9	136.8	0	112.4	E199 F246 A291 V292	E199-K254 VanDerWaalsContact OE1-CD 3.32Å; E199-K254 WeakPolarHBondContact OE1-CD 3.27Å; E199-K254 IonicContact OE1-NZ 3.46Å; E199-K254 PolarHBondContact OE1-NZ 2.98Å; E199-K254 IonicContact OE2-NZ 3.28Å; E199-K254 PolarHBondContact OE2-NZ 2.73Å; F246-K254 WeakPolarHBondContact O-CB 3.37Å; F246-K254 PolarHBondContact O-N 3.46Å; F246-K254 VanDerWaalsContact O-N 3.08Å; K254-A291 HydrophobicContact CD-CB 3.67Å; K254-V292 HydrophobicContact CD-CG2 4.38Å
255	M	96.4	Very high	97.1	Very high	27 Å²	27	47.8 Å²	47.8	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147.1	-178.7	175.9	169.2	55.2	0	0	109.9	S245 F246 S253 R257 V286 V292	S245-M255 CarbonylContact C-O 3.5Å; S245-M255 VanDerWaalsContact CA-O 3.25Å; S245-M255 WeakPolarHBondContact CA-O 3.34Å; F246-M255 HydrophobicContact CB-CB 4.47Å; F246-M255 HydrophobicContact CB-CE 4.16Å; F246-M255 HydrophobicContact CD2-CB 4.41Å; F246-M255 HydrophobicContact CD2-CE 3.63Å; F246-M255 HydrophobicContact CD2-CG 4.3Å; F246-M255 HydrophobicContact CE2-CE 4.22Å; F246-M255 HydrophobicContact CG-CE 3.95Å; F246-M255 PolarHBondContact N-O 2.91Å; S253-M255 VanDerWaalsContact C-N 3.3Å; S253-M255 PolarHBondContact O-N 2.85Å; M255-R257 VanDerWaalsContact CG-NH1 3.31Å; M255-R257 VanDerWaalsContact SD-CZ 3.53Å; M255-R257 PolarHBondContact SD-NH2 3.27Å; M255-R257 VanDerWaalsContact SD-NH2 3.42Å; M255-V286 HydrophobicContact CE-CB 3.54Å; M255-V286 HydrophobicContact CE-CG1 3.42Å; M255-V286 VanDerWaalsContact CE-CG1 3.42Å; M255-V286 HydrophobicContact SD-CB 4.13Å; M255-V286 HydrophobicContact SD-CG1 3.87Å; M255-V292 HydrophobicContact CE-CB 4.17Å; M255-V292 HydrophobicContact CE-CG1 3.67Å; M255-V292 HydrophobicContact CE-CG2 4.11Å
256	K	97.5	Very high	97.1	Very high	86 Å²	86	53.1 Å²	53.1	37%	0.374	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.2	168.9	-61.9	-165.5	177.3	-167.3	0	111.6	Q209 A244 S253	Q209-K256 VanDerWaalsContact OE1-NZ 3.1Å; A244-K256 CarbonylContact O-C 3.31Å; A244-K256 VanDerWaalsContact O-CA 3.28Å; A244-K256 WeakPolarHBondContact O-CA 3.23Å; S253-K256 WeakPolarHBondContact OG-CE 3.28Å; S253-K256 WeakPolarHBondContact OG-CG 3.44Å
257	R	98.5	Very high	97.1	Very high	58 Å²	58	59.2 Å²	59.2	22%	0.219	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.9	172.2	-68.3	-64.3	-178.1	-91.8	2.2	109.4	T243 A244 F246 M255 L282 S284 P285 V286	T243-R257 CarbonylContact C-O 3.43Å; T243-R257 VanDerWaalsContact CA-O 3.31Å; T243-R257 WeakPolarHBondContact CA-O 3.46Å; A244-R257 PolarHBondContact N-O 2.7Å; A244-R257 PolarHBondContact O-N 3.35Å; F246-R257 HydrophobicContact CE2-CG 4.35Å; M255-R257 VanDerWaalsContact CG-NH1 3.31Å; M255-R257 VanDerWaalsContact SD-CZ 3.53Å; M255-R257 PolarHBondContact SD-NH2 3.27Å; M255-R257 VanDerWaalsContact SD-NH2 3.42Å; R257-L282 HydrophobicContact CB-CB 4.42Å; R257-L282 HydrophobicContact CB-CD2 4.05Å; R257-L282 HydrophobicContact CG-CD1 4.49Å; R257-S284 VanDerWaalsContact CD-OG 3.23Å; R257-S284 WeakPolarHBondContact CD-OG 3.24Å; R257-S284 PolarHBondContact NE-OG 2.89Å; R257-P285 PolarHBondContact NE-O 3.46Å; R257-P285 PolarHBondContact NH2-O 3.33Å; R257-V286 HydrophobicContact CG-CG1 3.88Å
258	G	98.7	Very high	97.2	Very high	25 Å²	25	60 Å²	60	26%	0.258	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	168.1	167.4	0	0	0	0	0	110.6	S283	G258-S283 PolarHBondContact N-OG 3.22Å; G258-S283 PolarHBondContact O-N 3.2Å; G258-S283 PolarHBondContact O-OG 2.98Å
259	L	98.8	Very high	97.2	Very high	11 Å²	11	66.4 Å²	66.4	6%	0.058	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.3	170.5	-58.2	-168.1	0	0	0	110.6	L208 F233 P239 W242 A244 I262 A280 E281 L282	L208-L259 HydrophobicContact CD2-CD1 4.25Å; F233-L259 HydrophobicContact CE1-CD1 4.31Å; P239-L259 HydrophobicContact CB-CB 4.22Å; W242-L259 HydrophobicContact CB-CB 4.26Å; W242-L259 HydrophobicContact CB-CD1 3.47Å; W242-L259 VanDerWaalsContact CB-CD1 3.47Å; W242-L259 HydrophobicContact CB-CG 3.77Å; W242-L259 HydrophobicContact CG-CD1 4.07Å; W242-L259 PolarHBondContact O-N 2.71Å; A244-L259 HydrophobicContact CB-CD2 4.29Å; L259-I262 HydrophobicContact CD1-CD1 4.06Å; L259-I262 HydrophobicContact CD1-CG1 3.95Å; L259-A280 HydrophobicContact CD1-CB 3.87Å; L259-A280 HydrophobicContact CD2-CB 4.07Å; L259-E281 CarbonylContact C-O 3.47Å; L259-E281 WeakPolarHBondContact CA-O 3.25Å; L259-L282 HydrophobicContact CD2-CD2 3.88Å
260	R	98.3	Very high	97	Very high	150 Å²	150	72.6 Å²	72.6	57%	0.566	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	-43.9	172.4	-177.7	-178.4	-66.2	160.5	-4.6	111.3	E281 S283	R260-E281 IonicContact CZ-OE1 2.57Å; R260-E281 PolarHBondContact N-O 3.26Å; R260-E281 IonicContact NH1-OE1 3.01Å; R260-E281 PolarHBondContact NH1-OE1 3.12Å; R260-S283 PolarHBondContact NH2-O 3.36Å
261	R	97.6	Very high	96.8	Very high	110 Å²	110	76.4 Å²	76.4	42%	0.415	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.2	-172.2	179.3	170	57.5	157.7	-1.9	110.4	W225 I263 A280 E281	W225-R261 VanDerWaalsContact CZ2-NH2 3.27Å; R261-I263 HydrophobicContact CG-CG1 4.05Å; R261-A280 WeakPolarHBondContact O-CA 3.46Å; R261-E281 HydrophobicContact CB-CB 4.03Å; R261-E281 IonicContact CZ-OE2 2.95Å; R261-E281 VanDerWaalsContact CZ-OE2 3.27Å; R261-E281 IonicContact NE-OE2 4Å; R261-E281 PolarHBondContact NE-OE2 3.28Å; R261-E281 IonicContact NH2-OE2 3.33Å; R261-E281 PolarHBondContact NH2-OE2 2.81Å; R261-E281 PolarHBondContact O-N 3.09Å
262	I	98.7	Very high	96.7	Very high	33 Å²	33	75.1 Å²	75.1	17%	0.169	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.1	172.7	-61.7	164.1	0	0	0	107.3	F233 P239 W242 L259 V264 L279	F233-I262 HydrophobicContact CB-CG2 4.02Å; F233-I262 HydrophobicContact CD1-CD1 3.66Å; F233-I262 HydrophobicContact CD1-CG1 4.33Å; F233-I262 HydrophobicContact CD1-CG2 3.88Å; F233-I262 HydrophobicContact CD2-CG2 3.77Å; F233-I262 HydrophobicContact CE1-CD1 3.7Å; F233-I262 HydrophobicContact CE1-CG1 4.15Å; F233-I262 HydrophobicContact CE1-CG2 4.23Å; F233-I262 HydrophobicContact CE2-CG2 4.14Å; F233-I262 HydrophobicContact CG-CD1 4.47Å; F233-I262 HydrophobicContact CG-CG2 3.61Å; F233-I262 HydrophobicContact CZ-CG2 4.33Å; P239-I262 HydrophobicContact CB-CD1 4.07Å; P239-I262 HydrophobicContact CB-CG1 4.32Å; P239-I262 HydrophobicContact CG-CD1 3.97Å; P239-I262 HydrophobicContact CG-CG1 4.18Å; W242-I262 HydrophobicContact CG-CD1 4.33Å; L259-I262 HydrophobicContact CD1-CD1 4.06Å; L259-I262 HydrophobicContact CD1-CG1 3.95Å; I262-V264 HydrophobicContact CG2-CG2 4.44Å; I262-L279 CarbonylContact C-O 3.52Å; I262-L279 WeakPolarHBondContact CA-O 3.4Å
263	I	98.6	Very high	96.7	Very high	27 Å²	27	73.2 Å²	73.2	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.9	178.4	-52.8	177.3	0	0	0	107.5	W225 R261 S278 L279 W415 K419	W225-I263 HydrophobicContact CH2-CD1 3.81Å; W225-I263 HydrophobicContact CZ3-CD1 4.14Å; R261-I263 HydrophobicContact CG-CG1 4.05Å; I263-S278 CarbonylContact O-C 3.58Å; I263-S278 WeakPolarHBondContact O-CA 3.21Å; I263-S278 WeakPolarHBondContact O-CB 3.3Å; I263-L279 HydrophobicContact CB-CB 4.34Å; I263-L279 PolarHBondContact N-O 3.29Å; I263-L279 PolarHBondContact O-N 3.27Å; I263-W415 HydrophobicContact CG2-CH2 4.44Å; I263-W415 HydrophobicContact CG2-CZ2 4.08Å; I263-K419 HydrophobicContact CD1-CB 4.32Å; I263-K419 HydrophobicContact CG2-CD 4.42Å; I263-K419 HydrophobicContact CG2-CG 4.4Å
264	V	98.5	Very high	96.8	Very high	51 Å²	51	73 Å²	73	31%	0.309	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142.8	172.5	173.7	0	0	0	0	108.6	A230 F233 I262 E266 Y268	A230-V264 HydrophobicContact CB-CG1 3.67Å; F233-V264 HydrophobicContact CB-CG2 4.06Å; I262-V264 HydrophobicContact CG2-CG2 4.44Å; V264-E266 PolarHBondContact O-N 3.19Å; V264-Y268 HydrophobicContact CG1-CD1 3.88Å; V264-Y268 HydrophobicContact CG1-CG 4.26Å
265	H	98.6	Very high	97	Very high	14 Å²	14	70.3 Å²	70.3	7%	0.065	33%	0.329	C	S	.	.			trans	-56.7	133.7	176.6	-166.3	-73.6	0	0	0	111.9	K267 Y268 Y275 I277 W415	H265-K267 PolarHBondContact ND1-N 2.61Å; H265-K267 VanDerWaalsContact ND1-N 3.17Å; H265-K267 PolarHBondContact O-N 3.19Å; H265-K267 VanDerWaalsContact O-N 3.15Å; H265-Y268 WeakPolarHBondContact O-CB 3.31Å; H265-Y268 PolarHBondContact O-N 3.47Å; H265-Y275 AromaticContact CD2-CD1 3.98Å; H265-Y275 AromaticContact CE1-CD1 3.09Å; H265-Y275 WeakPolarHBondContact CE1-CD1 3.46Å; H265-Y275 AromaticContact CE1-CE1 3.58Å; H265-Y275 AromaticContact CE1-CG 3.79Å; H265-Y275 AromaticContact ND1-CD1 3.48Å; H265-Y275 WeakPolarHBondContact ND1-CD1 3.37Å; H265-Y275 AromaticContact ND1-CG 3.73Å; H265-Y275 AromaticContact NE2-CD1 3.4Å; H265-Y275 WeakPolarHBondContact NE2-CD1 3.49Å; H265-Y275 AromaticContact NE2-CE1 3.88Å; H265-I277 HydrophobicContact CB-CG2 3.65Å; H265-I277 PolarHBondContact N-O 2.84Å; H265-I277 VanDerWaalsContact N-O 3.16Å; H265-W415 VanDerWaalsContact CA-CZ2 3.5Å; H265-W415 HydrophobicContact CB-CH2 4.34Å; H265-W415 HydrophobicContact CB-CZ2 3.92Å; H265-W415 AromaticContact CD2-CD1 3.45Å; H265-W415 VanDerWaalsContact CD2-CD1 3.45Å; H265-W415 AromaticContact CD2-CD2 3.46Å; H265-W415 VanDerWaalsContact CD2-CD2 3.46Å; H265-W415 AromaticContact CD2-CE2 3.41Å; H265-W415 VanDerWaalsContact CD2-CE2 3.41Å; H265-W415 AromaticContact CD2-CG 3.52Å; H265-W415 AromaticContact CD2-NE1 3.35Å; H265-W415 PolarHBondContact CD2-NE1 3.28Å; H265-W415 AromaticContact CG-CE2 3.97Å; H265-W415 AromaticContact CG-NE1 3.93Å; H265-W415 AromaticContact NE2-CD1 3.46Å; H265-W415 AromaticContact NE2-CG 3.74Å; H265-W415 AromaticContact NE2-NE1 3.74Å
266	E	98.3	Very high	97.1	Very high	115 Å²	115	69 Å²	69	54%	0.537	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.6	-170.1	-62.1	83	173.7	0	0	113.3	V264 W415 K419	V264-E266 PolarHBondContact O-N 3.19Å; E266-W415 PolarHBondContact OE2-NE1 2.9Å; E266-K419 WeakPolarHBondContact OE1-CE 3.45Å; E266-K419 IonicContact OE1-NZ 2.61Å; E266-K419 PolarHBondContact OE1-NZ 2.9Å
267	K	98.4	Very high	97.1	Very high	130 Å²	130	64.9 Å²	64.9	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.9	177.5	-61.9	-176.2	-179.7	177.2	0	114.3	H265 K269 Y275	H265-K267 PolarHBondContact ND1-N 2.61Å; H265-K267 VanDerWaalsContact ND1-N 3.17Å; H265-K267 PolarHBondContact O-N 3.19Å; H265-K267 VanDerWaalsContact O-N 3.15Å; K267-K269 PolarHBondContact O-N 2.95Å; K267-Y275 HydrophobicContact CB-CD1 4.22Å; K267-Y275 HydrophobicContact CB-CD2 3.64Å; K267-Y275 HydrophobicContact CB-CE1 4.44Å; K267-Y275 HydrophobicContact CB-CE2 3.93Å; K267-Y275 HydrophobicContact CB-CG 3.8Å; K267-Y275 HydrophobicContact CD-CD1 4.47Å; K267-Y275 HydrophobicContact CD-CD2 4.36Å; K267-Y275 HydrophobicContact CD-CE1 3.9Å; K267-Y275 HydrophobicContact CD-CE2 3.81Å
268	Y	98.3	Very high	97.2	Very high	25 Å²	25	62.1 Å²	62.1	10%	0.098	29%	0.294	C	S	.	.			trans	-67.5	129	177.5	176.4	-101.5	0	0	0	110.2	A230 H231 T234 V264 H265 S272 D274 D276	A230-Y268 HydrophobicContact CB-CD1 3.58Å; A230-Y268 HydrophobicContact CB-CD2 3.56Å; A230-Y268 HydrophobicContact CB-CE1 3.87Å; A230-Y268 HydrophobicContact CB-CE2 3.87Å; A230-Y268 HydrophobicContact CB-CG 3.41Å; A230-Y268 VanDerWaalsContact CB-CG 3.41Å; H231-Y268 WeakPolarHBondContact CA-OH 3.49Å; H231-Y268 WeakPolarHBondContact CB-OH 3.38Å; T234-Y268 WeakPolarHBondContact OG1-CE1 3.44Å; T234-Y268 PolarHBondContact OG1-OH 3.46Å; V264-Y268 HydrophobicContact CG1-CD1 3.88Å; V264-Y268 HydrophobicContact CG1-CG 4.26Å; H265-Y268 WeakPolarHBondContact O-CB 3.31Å; H265-Y268 PolarHBondContact O-N 3.47Å; Y268-S272 WeakPolarHBondContact CE2-O 3.48Å; Y268-D274 WeakPolarHBondContact CD2-O 3.3Å; Y268-D276 HydrophobicContact CD2-CB 4.27Å; Y268-D276 HydrophobicContact CE2-CB 4.15Å
269	K	95.7	Very high	97.2	Very high	154 Å²	154	61 Å²	61	67%	0.67	28%	0.282	S	S	*	.			trans	-141.2	106.4	-179.9	-69.3	-174.1	179.9	-177.2	0	110.6	K267 S272	K267-K269 PolarHBondContact O-N 2.95Å; K269-S272 WeakPolarHBondContact O-CA 3.4Å; K269-S272 WeakPolarHBondContact O-CB 3.5Å; K269-S272 PolarHBondContact O-N 2.79Å
270	Y	92.3	Very high	97.2	Very high	165 Å²	165	60.5 Å²	60.5	65%	0.647	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138.2	171.5	-175.2	-94	0	0	0	110.8	T234	T234-Y270 HydrophobicContact CG2-CG 4.24Å
271	P	89.4	Confident	97.2	Very high	94 Å²	94	54.4 Å²	54.4	61%	0.61	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.4	9.5	7.8	36.8	-36.6	0	0	0	115.4
272	S	92.9	Very high	97.3	Very high	62 Å²	62	49.2 Å²	49.2	43%	0.434	24%	0.238	S	C	.	.			trans	-66.1	144.6	174.5	-172.3	0	0	0	0	111.2	Y268 K269 D274	Y268-S272 WeakPolarHBondContact CE2-O 3.48Å; K269-S272 WeakPolarHBondContact O-CA 3.4Å; K269-S272 WeakPolarHBondContact O-CB 3.5Å; K269-S272 PolarHBondContact O-N 2.79Å; S272-D274 PolarHBondContact OG-N 3.1Å
273	H	94.6	Very high	97.2	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.31	25%	0.247	S	C	.	.			trans	-95	5.3	174.3	-59.3	-67.2	0	0	0	113.1	D276 M355 W393	H273-D276 WeakPolarHBondContact O-CB 3.4Å; H273-M355 HydrophobicContact CB-CE 3.92Å; H273-M355 WeakPolarHBondContact O-CE 3.09Å; H273-W393 HydrophobicContact CB-CD2 4.36Å; H273-W393 HydrophobicContact CB-CG 3.93Å; H273-W393 AromaticContact CD2-CD2 3.74Å; H273-W393 AromaticContact CD2-CG 3.72Å; H273-W393 AromaticContact CG-CD1 3.52Å; H273-W393 AromaticContact CG-CG 3.59Å; H273-W393 AromaticContact CG-NE1 3.88Å; H273-W393 AromaticContact ND1-CG 3.93Å
274	D	98	Very high	97.2	Very high	29 Å²	29	51 Å²	51	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	146	176.6	-167.5	30.4	0	0	0	111.9	Y268 S272 D276 T352 R354 M355	Y268-D274 WeakPolarHBondContact CD2-O 3.3Å; S272-D274 PolarHBondContact OG-N 3.1Å; D274-D276 PolarHBondContact O-N 2.8Å; D274-T352 PolarHBondContact OD1-OG1 2.84Å; D274-T352 VanDerWaalsContact OD1-OG1 3.1Å; D274-R354 IonicContact OD1-CZ 3.33Å; D274-R354 VanDerWaalsContact OD1-CZ 3.28Å; D274-R354 IonicContact OD1-NE 3.85Å; D274-R354 PolarHBondContact OD1-NE 3.09Å; D274-R354 IonicContact OD1-NH2 3.63Å; D274-R354 PolarHBondContact OD1-NH2 2.69Å; D274-R354 IonicContact OD2-CZ 2.83Å; D274-R354 IonicContact OD2-NE 2.9Å; D274-R354 PolarHBondContact OD2-NE 2.84Å; D274-R354 IonicContact OD2-NH2 3.71Å; D274-R354 PolarHBondContact OD2-NH2 3.22Å; D274-M355 HydrophobicContact CB-CE 4.29Å
275	Y	98.6	Very high	97.2	Very high	43 Å²	43	52.4 Å²	52.4	17%	0.169	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	35	-173	-63.1	-87.8	0	0	0	113.9	H265 K267 I277 R354 L412	H265-Y275 AromaticContact CD2-CD1 3.98Å; H265-Y275 AromaticContact CE1-CD1 3.09Å; H265-Y275 WeakPolarHBondContact CE1-CD1 3.46Å; H265-Y275 AromaticContact CE1-CE1 3.58Å; H265-Y275 AromaticContact CE1-CG 3.79Å; H265-Y275 AromaticContact ND1-CD1 3.48Å; H265-Y275 WeakPolarHBondContact ND1-CD1 3.37Å; H265-Y275 AromaticContact ND1-CG 3.73Å; H265-Y275 AromaticContact NE2-CD1 3.4Å; H265-Y275 WeakPolarHBondContact NE2-CD1 3.49Å; H265-Y275 AromaticContact NE2-CE1 3.88Å; K267-Y275 HydrophobicContact CB-CD1 4.22Å; K267-Y275 HydrophobicContact CB-CD2 3.64Å; K267-Y275 HydrophobicContact CB-CE1 4.44Å; K267-Y275 HydrophobicContact CB-CE2 3.93Å; K267-Y275 HydrophobicContact CB-CG 3.8Å; K267-Y275 HydrophobicContact CD-CD1 4.47Å; K267-Y275 HydrophobicContact CD-CD2 4.36Å; K267-Y275 HydrophobicContact CD-CE1 3.9Å; K267-Y275 HydrophobicContact CD-CE2 3.81Å; Y275-I277 PolarHBondContact O-N 3.44Å; Y275-R354 HydrophobicContact CD1-CG 4.3Å; Y275-R354 HydrophobicContact CE1-CG 4.06Å; Y275-L412 HydrophobicContact CD1-CD2 3.7Å; Y275-L412 HydrophobicContact CE1-CD2 3.93Å
276	D	98.7	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.			trans	-75.5	68.6	-178.7	-171.9	25.3	0	0	0	112.4	A230 H231 Y268 H273 D274 S392 T407	A230-D276 WeakPolarHBondContact CA-OD1 3.35Å; A230-D276 VanDerWaalsContact CB-OD1 3.32Å; A230-D276 WeakPolarHBondContact CB-OD1 3.27Å; A230-D276 PolarHBondContact N-OD1 2.97Å; H231-D276 IonicContact CE1-OD2 3.25Å; H231-D276 IonicContact CG-OD1 3.19Å; H231-D276 IonicContact CG-OD2 3.49Å; H231-D276 PolarHBondContact N-OD1 3.46Å; H231-D276 IonicContact ND1-OD1 3.39Å; H231-D276 PolarHBondContact ND1-OD1 3.33Å; H231-D276 IonicContact ND1-OD2 3.17Å; H231-D276 PolarHBondContact ND1-OD2 2.86Å; Y268-D276 HydrophobicContact CD2-CB 4.27Å; Y268-D276 HydrophobicContact CE2-CB 4.15Å; H273-D276 WeakPolarHBondContact O-CB 3.4Å; D274-D276 PolarHBondContact O-N 2.8Å; D276-S392 WeakPolarHBondContact CB-OG 3.25Å; D276-S392 WeakPolarHBondContact OD2-CB 3.1Å; D276-S392 PolarHBondContact OD2-OG 3.02Å; D276-T407 PolarHBondContact O-OG1 3.41Å
277	I	98.9	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.			trans	-135.6	144.1	177.8	-167	168.9	0	0	0	111	V227 S228 A230 H265 Y275 I390 T407 L412 W415 I416	V227-I277 HydrophobicContact CG2-CD1 3.91Å; V227-I277 HydrophobicContact CG2-CG1 3.84Å; S228-I277 WeakPolarHBondContact O-CA 3.07Å; A230-I277 WeakPolarHBondContact CB-O 3.47Å; H265-I277 HydrophobicContact CB-CG2 3.65Å; H265-I277 PolarHBondContact N-O 2.84Å; H265-I277 VanDerWaalsContact N-O 3.16Å; Y275-I277 PolarHBondContact O-N 3.44Å; I277-I390 HydrophobicContact CB-CD1 4.48Å; I277-I390 HydrophobicContact CD1-CD1 3.78Å; I277-I390 HydrophobicContact CG1-CD1 3.7Å; I277-T407 HydrophobicContact CB-CG2 4.24Å; I277-L412 HydrophobicContact CB-CD1 4Å; I277-L412 HydrophobicContact CD1-CB 4.11Å; I277-L412 HydrophobicContact CD1-CD1 4.27Å; I277-L412 HydrophobicContact CG2-CD1 3.62Å; I277-W415 HydrophobicContact CB-CZ3 4.37Å; I277-W415 HydrophobicContact CD1-CE3 4.14Å; I277-W415 HydrophobicContact CD1-CZ3 4.03Å; I277-W415 HydrophobicContact CG1-CE3 4.43Å; I277-W415 HydrophobicContact CG1-CZ3 3.88Å; I277-W415 HydrophobicContact CG2-CE3 3.88Å; I277-W415 HydrophobicContact CG2-CH2 4.13Å; I277-W415 HydrophobicContact CG2-CZ3 3.67Å; I277-I416 HydrophobicContact CD1-CD1 4.06Å; I277-I416 HydrophobicContact CD1-CG1 4.06Å
278	S	98.8	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.7	171.1	61.8	0	0	0	0	111.8	V227 S228 A229 F233 I263	V227-S278 WeakPolarHBondContact CA-O 3.48Å; V227-S278 WeakPolarHBondContact CG2-O 3.27Å; S228-S278 PolarHBondContact N-O 3.07Å; S228-S278 PolarHBondContact O-N 2.85Å; S228-S278 PolarHBondContact O-OG 3.19Å; A229-S278 VanDerWaalsContact C-OG 3.29Å; A229-S278 PolarHBondContact O-OG 2.86Å; F233-S278 VanDerWaalsContact CD2-OG 3.28Å; F233-S278 WeakPolarHBondContact CD2-OG 3.23Å; F233-S278 WeakPolarHBondContact CE2-OG 3.29Å; I263-S278 CarbonylContact O-C 3.58Å; I263-S278 WeakPolarHBondContact O-CA 3.21Å; I263-S278 WeakPolarHBondContact O-CB 3.3Å
279	L	98.9	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	172.2	-65.9	163	0	0	0	109.5	I221 W225 L226 V227 I262 I263 W415 I416 K419 T420	I221-L279 HydrophobicContact CD1-CD2 3.83Å; W225-L279 HydrophobicContact CE3-CB 3.95Å; W225-L279 HydrophobicContact CZ3-CB 3.76Å; L226-L279 WeakPolarHBondContact O-CA 3.16Å; V227-L279 HydrophobicContact CB-CD2 4.06Å; V227-L279 HydrophobicContact CG2-CD2 4.14Å; I262-L279 CarbonylContact C-O 3.52Å; I262-L279 WeakPolarHBondContact CA-O 3.4Å; I263-L279 HydrophobicContact CB-CB 4.34Å; I263-L279 PolarHBondContact N-O 3.29Å; I263-L279 PolarHBondContact O-N 3.27Å; L279-W415 HydrophobicContact CD1-CE3 4.37Å; L279-W415 HydrophobicContact CD1-CH2 3.92Å; L279-W415 HydrophobicContact CD1-CZ3 3.72Å; L279-W415 HydrophobicContact CG-CH2 4.01Å; L279-W415 HydrophobicContact CG-CZ3 3.77Å; L279-I416 HydrophobicContact CD2-CG2 4.31Å; L279-K419 HydrophobicContact CD1-CB 3.51Å; L279-K419 HydrophobicContact CD1-CG 4.03Å; L279-T420 HydrophobicContact CD1-CG2 3.63Å; L279-T420 HydrophobicContact CD2-CG2 4.22Å; L279-T420 HydrophobicContact CG-CG2 4.47Å
280	A	98.8	Very high	96.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118	175.1	0	0	0	0	0	109.7	L226 F233 L259 R261	L226-A280 HydrophobicContact CB-CB 4.24Å; L226-A280 PolarHBondContact N-O 3.08Å; L226-A280 PolarHBondContact O-N 3.47Å; F233-A280 HydrophobicContact CZ-CB 4.4Å; L259-A280 HydrophobicContact CD1-CB 3.87Å; L259-A280 HydrophobicContact CD2-CB 4.07Å; R261-A280 WeakPolarHBondContact O-CA 3.46Å
281	E	98.8	Very high	96.9	Very high	23 Å²	23	34.2 Å²	34.2	11%	0.107	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.9	175.8	-165	-176.8	152.9	0	0	109.3	T224 W225 L259 R260 R261	T224-E281 CarbonylContact O-C 3.59Å; T224-E281 WeakPolarHBondContact O-CA 3.42Å; W225-E281 HydrophobicContact CD2-CB 4.36Å; W225-E281 HydrophobicContact CD2-CG 4.37Å; W225-E281 HydrophobicContact CE3-CB 3.99Å; W225-E281 HydrophobicContact CE3-CG 4.48Å; W225-E281 HydrophobicContact CH2-CB 3.85Å; W225-E281 HydrophobicContact CH2-CG 4.2Å; W225-E281 HydrophobicContact CZ2-CB 4.21Å; W225-E281 HydrophobicContact CZ2-CG 4.04Å; W225-E281 HydrophobicContact CZ3-CB 3.71Å; W225-E281 HydrophobicContact CZ3-CG 4.4Å; L259-E281 CarbonylContact C-O 3.47Å; L259-E281 WeakPolarHBondContact CA-O 3.25Å; R260-E281 IonicContact CZ-OE1 2.57Å; R260-E281 PolarHBondContact N-O 3.26Å; R260-E281 IonicContact NH1-OE1 3.01Å; R260-E281 PolarHBondContact NH1-OE1 3.12Å; R261-E281 HydrophobicContact CB-CB 4.03Å; R261-E281 IonicContact CZ-OE2 2.95Å; R261-E281 VanDerWaalsContact CZ-OE2 3.27Å; R261-E281 IonicContact NE-OE2 4Å; R261-E281 PolarHBondContact NE-OE2 3.28Å; R261-E281 IonicContact NH2-OE2 3.33Å; R261-E281 PolarHBondContact NH2-OE2 2.81Å; R261-E281 PolarHBondContact O-N 3.09Å
282	L	98.8	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148	177.4	-58.4	179.3	0	0	0	110.9	L220 T224 L226 A244 F246 R257 L259 S284 V286	L220-L282 HydrophobicContact CD1-CD1 4.29Å; T224-L282 PolarHBondContact O-N 3.18Å; L226-L282 HydrophobicContact CD1-CD2 3.76Å; L226-L282 HydrophobicContact CG-CD2 3.94Å; L226-L282 HydrophobicContact CG-CG 4.36Å; A244-L282 HydrophobicContact CB-CD2 3.91Å; F246-L282 HydrophobicContact CE2-CD1 4.43Å; F246-L282 HydrophobicContact CZ-CD1 3.96Å; R257-L282 HydrophobicContact CB-CB 4.42Å; R257-L282 HydrophobicContact CB-CD2 4.05Å; R257-L282 HydrophobicContact CG-CD1 4.49Å; L259-L282 HydrophobicContact CD2-CD2 3.88Å; L282-S284 PolarHBondContact O-N 3.09Å; L282-V286 HydrophobicContact CD1-CG1 3.74Å
283	S	98.4	Very high	97.5	Very high	52 Å²	52	27 Å²	27	36%	0.364	16%	0.155	S	C	.	.	S	Bend	trans	-63.7	-28.8	178.3	61.9	0	0	0	0	113.6	G258 R260	G258-S283 PolarHBondContact N-OG 3.22Å; G258-S283 PolarHBondContact O-N 3.2Å; G258-S283 PolarHBondContact O-OG 2.98Å; R260-S283 PolarHBondContact NH2-O 3.36Å
284	S	98.3	Very high	97.7	Very high	47 Å²	47	26.3 Å²	26.3	33%	0.329	15%	0.15	S	C	.	.	S	Bend	trans	-150.9	154.2	174.5	61.4	0	0	0	0	110.6	R257 L282	R257-S284 VanDerWaalsContact CD-OG 3.23Å; R257-S284 WeakPolarHBondContact CD-OG 3.24Å; R257-S284 PolarHBondContact NE-OG 2.89Å; L282-S284 PolarHBondContact O-N 3.09Å
285	P	98.5	Very high	97.7	Very high	80 Å²	80	25 Å²	25	52%	0.519	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-61.9	151.1	-178.4	24.1	-33.5	0	0	0	112.6	A223 T224 R257	A223-P285 HydrophobicContact CB-CB 4.11Å; A223-P285 CarbonylContact O-C 3.58Å; A223-P285 VanDerWaalsContact O-CA 3.25Å; A223-P285 WeakPolarHBondContact O-CA 3.45Å; T224-P285 HydrophobicContact CG2-CB 3.81Å; R257-P285 PolarHBondContact NE-O 3.46Å; R257-P285 PolarHBondContact NH2-O 3.33Å
286	V	98.1	Very high	97.7	Very high	5 Å²	5	23 Å²	23	3%	0.03	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-94	132.9	168.7	-62.5	0	0	0	0	110.1	L220 A223 F246 M255 R257 L282 V292	L220-V286 HydrophobicContact CD1-CG2 3.79Å; L220-V286 HydrophobicContact CD2-CG2 3.63Å; L220-V286 HydrophobicContact CG-CG2 4.35Å; A223-V286 WeakPolarHBondContact O-CG2 3.33Å; A223-V286 PolarHBondContact O-N 2.88Å; F246-V286 HydrophobicContact CD2-CG1 4.34Å; F246-V286 HydrophobicContact CE2-CG1 3.71Å; F246-V286 HydrophobicContact CZ-CG1 3.94Å; M255-V286 HydrophobicContact CE-CB 3.54Å; M255-V286 HydrophobicContact CE-CG1 3.42Å; M255-V286 VanDerWaalsContact CE-CG1 3.42Å; M255-V286 HydrophobicContact SD-CB 4.13Å; M255-V286 HydrophobicContact SD-CG1 3.87Å; R257-V286 HydrophobicContact CG-CG1 3.88Å; L282-V286 HydrophobicContact CD1-CG1 3.74Å; V286-V292 HydrophobicContact CG2-CG1 4.42Å
287	P	97.5	Very high	97.6	Very high	75 Å²	75	23.7 Å²	23.7	49%	0.487	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-69.6	138.4	172.6	29.4	-33	0	0	0	109.6	T289	P287-T289 HydrophobicContact CB-CG2 4.5Å; P287-T289 PolarHBondContact O-N 3.12Å
288	Y	97.2	Very high	97.5	Very high	41 Å²	41	23.7 Å²	23.7	16%	0.161	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-76.4	121.5	173.5	-62	-29.4	0	0	0	110.6	N174 H175 A223 V292 H293	N174-Y288 WeakPolarHBondContact O-CB 3.42Å; H175-Y288 AromaticContact CD2-CD2 3.92Å; A223-Y288 HydrophobicContact CB-CE1 4.05Å; A223-Y288 PolarHBondContact N-OH 2.83Å; Y288-V292 CarbonylContact C-O 3.5Å; Y288-V292 WeakPolarHBondContact CA-O 3.4Å; Y288-H293 HydrophobicContact CD1-CB 3.89Å; Y288-H293 HydrophobicContact CG-CB 4.1Å
289	T	95.7	Very high	97.3	Very high	50 Å²	50	24.7 Å²	24.7	31%	0.307	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-138.2	167.1	-178.2	68.3	0	0	0	0	109	N174 P287 A291 V292 H293	N174-T289 PolarHBondContact OD1-O 2.96Å; P287-T289 HydrophobicContact CB-CG2 4.5Å; P287-T289 PolarHBondContact O-N 3.12Å; T289-A291 PolarHBondContact O-N 3.24Å; T289-A291 PolarHBondContact OG1-N 3.48Å; T289-V292 PolarHBondContact N-O 3.17Å; T289-V292 CarbonylContact O-C 3.53Å; T289-V292 PolarHBondContact O-N 3.29Å; T289-V292 VanDerWaalsContact O-O 3.06Å; T289-V292 PolarHBondContact OG1-N 2.89Å; T289-H293 PolarHBondContact O-CD2 2.88Å
290	N	92	Very high	97.1	Very high	42 Å²	42	26.9 Å²	26.9	23%	0.225	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.8	176.9	-69.9	-41.6	0	0	0	115.6	D170 N174 R181 G200	D170-N290 WeakPolarHBondContact CB-OD1 3.27Å; D170-N290 PolarHBondContact OD2-ND2 3.23Å; D170-N290 PolarHBondContact OD2-OD1 2.86Å; N174-N290 PolarHBondContact ND2-N 3.07Å; N174-N290 VanDerWaalsContact ND2-N 3.12Å; N174-N290 PolarHBondContact ND2-OD1 2.81Å; N174-N290 VanDerWaalsContact OD1-CA 3.29Å; N174-N290 WeakPolarHBondContact OD1-CA 3.44Å; N174-N290 PolarHBondContact OD1-N 3.02Å; N174-N290 PolarHBondContact OD1-OD1 3.14Å; R181-N290 VanDerWaalsContact CZ-CB 3.44Å; R181-N290 PolarHBondContact NH2-ND2 2.01Å; G200-N290 VanDerWaalsContact CA-O 3.31Å; G200-N290 WeakPolarHBondContact CA-O 3.4Å
291	A	94.3	Very high	96.9	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-14	179.6	0	0	0	0	0	113.2	E199 P203 K254 T289	E199-A291 HydrophobicContact CG-CB 3.65Å; P203-A291 WeakPolarHBondContact CA-O 3.49Å; K254-A291 HydrophobicContact CD-CB 3.67Å; T289-A291 PolarHBondContact O-N 3.24Å; T289-A291 PolarHBondContact OG1-N 3.48Å
292	V	97.5	Very high	96.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-145.2	108	-177.1	-172.8	0	0	0	0	109.7	P203 L220 F246 K254 M255 V286 Y288 T289	P203-V292 VanDerWaalsContact O-CA 3.31Å; P203-V292 WeakPolarHBondContact O-CA 3.02Å; L220-V292 HydrophobicContact CD2-CG1 3.96Å; F246-V292 HydrophobicContact CB-CG1 4.06Å; F246-V292 HydrophobicContact CB-CG2 3.71Å; F246-V292 HydrophobicContact CD1-CG1 3.73Å; F246-V292 HydrophobicContact CE1-CG1 4.37Å; F246-V292 HydrophobicContact CG-CG1 3.94Å; F246-V292 HydrophobicContact CG-CG2 4.49Å; K254-V292 HydrophobicContact CD-CG2 4.38Å; M255-V292 HydrophobicContact CE-CB 4.17Å; M255-V292 HydrophobicContact CE-CG1 3.67Å; M255-V292 HydrophobicContact CE-CG2 4.11Å; V286-V292 HydrophobicContact CG2-CG1 4.42Å; Y288-V292 CarbonylContact C-O 3.5Å; Y288-V292 WeakPolarHBondContact CA-O 3.4Å; T289-V292 PolarHBondContact N-O 3.17Å; T289-V292 CarbonylContact O-C 3.53Å; T289-V292 PolarHBondContact O-N 3.29Å; T289-V292 VanDerWaalsContact O-O 3.06Å; T289-V292 PolarHBondContact OG1-N 2.89Å
293	H	97.9	Very high	96.5	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.019	22%	0.222	C	C	.	.			trans	-164.3	170.8	171.7	68.5	80.1	0	0	0	110	N174 T179 P203 W204 Y288 T289	N174-H293 VanDerWaalsContact O-CB 3.27Å; N174-H293 WeakPolarHBondContact O-CB 3.28Å; T179-H293 PolarHBondContact O-CE1 2.86Å; T179-H293 PolarHBondContact O-NE2 3.45Å; T179-H293 PolarHBondContact OG1-CE1 3.01Å; T179-H293 PolarHBondContact OG1-NE2 2.92Å; P203-H293 CarbonylContact C-O 3.33Å; P203-H293 VanDerWaalsContact C-O 3.31Å; P203-H293 VanDerWaalsContact CG-CE1 3.5Å; P203-H293 WeakPolarHBondContact CG-CE1 3.26Å; P203-H293 WeakPolarHBondContact CG-NE2 3.35Å; P203-H293 PolarHBondContact O-N 3.5Å; W204-H293 VanDerWaalsContact CA-O 3.27Å; W204-H293 WeakPolarHBondContact CA-O 3.03Å; W204-H293 WeakPolarHBondContact CB-O 3.49Å; W204-H293 PolarHBondContact N-O 3.34Å; Y288-H293 HydrophobicContact CD1-CB 3.89Å; Y288-H293 HydrophobicContact CG-CB 4.1Å; T289-H293 PolarHBondContact O-CD2 2.88Å
294	R	98.2	Very high	96.4	Very high	52 Å²	52	36.9 Å²	36.9	20%	0.196	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-77.8	152.4	-165.6	65.6	177.9	179.9	179.4	2.7	114.4	E70 C177 G178 L220 I221	E70-R294 IonicContact OE2-CZ 3.26Å; E70-R294 IonicContact OE2-NH2 3.89Å; E70-R294 PolarHBondContact OE2-NH2 3.47Å; C177-R294 CarbonylContact C-O 3.58Å; C177-R294 WeakPolarHBondContact CA-O 3.39Å; C177-R294 HydrophobicContact CB-CG 3.84Å; G178-R294 PolarHBondContact N-O 3.17Å; L220-R294 VanDerWaalsContact O-CA 3.25Å; L220-R294 WeakPolarHBondContact O-CA 3.07Å; L220-R294 WeakPolarHBondContact O-CB 3.42Å; I221-R294 WeakPolarHBondContact O-CD 3.47Å
295	V	98.5	Very high	96.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-80	159	163.8	74.1	0	0	0	0	110.3	W204 T219 L220 I221 V377 W385 L387	W204-V295 HydrophobicContact CB-CB 3.93Å; W204-V295 HydrophobicContact CD2-CB 3.65Å; W204-V295 HydrophobicContact CD2-CG2 3.89Å; W204-V295 HydrophobicContact CE3-CB 3.92Å; W204-V295 HydrophobicContact CE3-CG2 4.19Å; W204-V295 HydrophobicContact CG-CB 3.66Å; W204-V295 HydrophobicContact CG-CG2 4.25Å; W204-V295 HydrophobicContact CZ2-CG2 4.24Å; T219-V295 HydrophobicContact CG2-CB 4.21Å; T219-V295 HydrophobicContact CG2-CG1 3.54Å; L220-V295 PolarHBondContact O-N 3.24Å; I221-V295 HydrophobicContact CG2-CG1 4.08Å; V295-V377 HydrophobicContact CG2-CG1 4Å; V295-W385 WeakPolarHBondContact CG2-O 3.38Å; V295-L387 HydrophobicContact CG1-CB 3.93Å; V295-L387 HydrophobicContact CG2-CB 4.32Å
296	C	97.9	Very high	96.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-77.7	140.7	168.4	-61.6	0	0	0	0	111.2	A71 C177 I384 W385 Y386 L387	A71-C296 HydrophobicContact CB-CB 3.69Å; C177-C296 HydrophobicContact CB-CB 3.93Å; C177-C296 WeakPolarHBondContact CB-SG 3.35Å; C177-C296 PolarHBondContact O-SG 3.06Å; C177-C296 WeakPolarHBondContact SG-CA 3.42Å; C177-C296 WeakPolarHBondContact SG-CB 3.4Å; C177-C296 CovalentContact SG-SG 2.04Å; C177-C296 PolarHBondContact SG-SG 3.16Å; C296-I384 WeakPolarHBondContact SG-CG2 3.48Å; C296-W385 WeakPolarHBondContact CB-O 3.47Å; C296-W385 PolarHBondContact N-O 3.47Å; C296-Y386 HydrophobicContact CB-CD1 3.65Å; C296-Y386 HydrophobicContact CB-CE1 3.75Å; C296-Y386 HydrophobicContact CB-CG 4.13Å; C296-Y386 WeakPolarHBondContact O-CA 3.49Å; C296-L387 PolarHBondContact O-N 2.91Å
297	L	97.6	Very high	96	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.073	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-92.4	128.4	166.5	-73.3	175.9	0	0	0	108.6	I221 L387 V409 I416 I422	I221-L297 HydrophobicContact CB-CD1 4.17Å; I221-L297 HydrophobicContact CB-CG 4.33Å; I221-L297 HydrophobicContact CD1-CD1 4.24Å; I221-L297 HydrophobicContact CG2-CD1 4.28Å; I221-L297 HydrophobicContact CG2-CD2 3.81Å; I221-L297 HydrophobicContact CG2-CG 4.05Å; L297-L387 HydrophobicContact CD2-CB 4.39Å; L297-L387 HydrophobicContact CD2-CD2 4.11Å; L297-V409 HydrophobicContact CD2-CG1 4.06Å; L297-I416 HydrophobicContact CD1-CD1 4.46Å; L297-I416 HydrophobicContact CD1-CG2 3.85Å; L297-I416 HydrophobicContact CD2-CD1 4.18Å; L297-I422 HydrophobicContact CD1-CG2 3.97Å
298	P	95.9	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-67.6	154.3	175.6	28.8	-34.2	0	0	0	111	Y302 F304 Y386 L387 V409 T410 R413	P298-Y302 HydrophobicContact CB-CD1 4.31Å; P298-Y302 HydrophobicContact CB-CG 3.94Å; P298-F304 HydrophobicContact CB-CE2 4.32Å; P298-F304 HydrophobicContact CB-CZ 4.31Å; P298-F304 HydrophobicContact CG-CE2 4.21Å; P298-F304 HydrophobicContact CG-CZ 4.36Å; P298-Y386 HydrophobicContact CB-CD1 4.16Å; P298-L387 VanDerWaalsContact CD-O 3.27Å; P298-L387 WeakPolarHBondContact CD-O 3.17Å; P298-L387 WeakPolarHBondContact CG-O 3.43Å; P298-V409 HydrophobicContact CG-CG1 4.11Å; P298-T410 HydrophobicContact CB-CG2 3.95Å; P298-T410 HydrophobicContact CG-CG2 3.69Å; P298-R413 WeakPolarHBondContact O-CD 3.32Å; P298-R413 VanDerWaalsContact O-CG 3.29Å; P298-R413 WeakPolarHBondContact O-CG 3.36Å; P298-R413 PolarHBondContact O-NE 2.92Å; P298-R413 VanDerWaalsContact O-NE 3.14Å
299	D	94.4	Very high	95.8	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.112	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.4	155.6	164.7	-83.2	-19.9	0	0	0	110.4	S72 N73 S301 Y302	S72-D299 WeakPolarHBondContact CA-OD2 3.31Å; S72-D299 VanDerWaalsContact CB-OD2 3.32Å; S72-D299 WeakPolarHBondContact CB-OD2 3.26Å; N73-D299 PolarHBondContact N-OD2 2.75Å; D299-S301 PolarHBondContact O-N 2.59Å; D299-S301 VanDerWaalsContact O-N 3.16Å; D299-Y302 VanDerWaalsContact O-CB 3.26Å; D299-Y302 WeakPolarHBondContact O-CB 3.39Å; D299-Y302 PolarHBondContact O-N 3.32Å
300	A	95.8	Very high	95.7	Very high	45 Å²	45	39.3 Å²	39.3	37%	0.372	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.4	178.3	0	0	0	0	0	112.4	R413	A300-R413 HydrophobicContact CB-CB 4.07Å; A300-R413 HydrophobicContact CB-CG 4.37Å
301	S	94.6	Very high	95.9	Very high	80 Å²	80	38.8 Å²	38.8	56%	0.559	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1.2	176.5	54.4	0	0	0	0	114.4	N73 D299	N73-S301 PolarHBondContact ND2-OG 3.07Å; D299-S301 PolarHBondContact O-N 2.59Å; D299-S301 VanDerWaalsContact O-N 3.16Å
302	Y	94.5	Very high	95.9	Very high	45 Å²	45	38.7 Å²	38.7	18%	0.176	22%	0.22	C	C	.	.			trans	-70.2	134	176.7	-167.1	-77.6	0	0	0	109.7	P298 D299 F304 T410	P298-Y302 HydrophobicContact CB-CD1 4.31Å; P298-Y302 HydrophobicContact CB-CG 3.94Å; D299-Y302 VanDerWaalsContact O-CB 3.26Å; D299-Y302 WeakPolarHBondContact O-CB 3.39Å; D299-Y302 PolarHBondContact O-N 3.32Å; Y302-F304 HydrophobicContact CD1-CD1 4.28Å; Y302-F304 HydrophobicContact CD1-CD2 4.09Å; Y302-F304 AromaticContact CD1-CE1 3.97Å; Y302-F304 HydrophobicContact CD1-CE1 3.97Å; Y302-F304 AromaticContact CD1-CE2 3.77Å; Y302-F304 HydrophobicContact CD1-CE2 3.77Å; Y302-F304 HydrophobicContact CD1-CG 4.33Å; Y302-F304 AromaticContact CD1-CZ 3.71Å; Y302-F304 HydrophobicContact CD1-CZ 3.71Å; Y302-F304 AromaticContact CE1-CD1 3.78Å; Y302-F304 HydrophobicContact CE1-CD1 3.78Å; Y302-F304 HydrophobicContact CE1-CD2 4.42Å; Y302-F304 AromaticContact CE1-CE1 3.49Å; Y302-F304 HydrophobicContact CE1-CE1 3.49Å; Y302-F304 VanDerWaalsContact CE1-CE1 3.49Å; Y302-F304 HydrophobicContact CE1-CE2 4.17Å; Y302-F304 HydrophobicContact CE1-CG 4.23Å; Y302-F304 AromaticContact CE1-CZ 3.71Å; Y302-F304 HydrophobicContact CE1-CZ 3.71Å; Y302-T410 WeakPolarHBondContact O-CG2 3.08Å
303	E	93.3	Very high	95.8	Very high	140 Å²	140	38.7 Å²	38.7	65%	0.654	22%	0.22	S	C	*	.			trans	-108.7	128	179.3	-65	-171.1	175.1	0	0	110.8	H305	E303-H305 IonicContact OE2-CE1 3.84Å
304	F	95.9	Very high	95.7	Very high	21 Å²	21	38.7 Å²	38.7	9%	0.092	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-100.3	134.4	164.1	-60.7	-81.1	0	0	0	107.7	P298 Y302 M310 L335 A388 T410	P298-F304 HydrophobicContact CB-CE2 4.32Å; P298-F304 HydrophobicContact CB-CZ 4.31Å; P298-F304 HydrophobicContact CG-CE2 4.21Å; P298-F304 HydrophobicContact CG-CZ 4.36Å; Y302-F304 HydrophobicContact CD1-CD1 4.28Å; Y302-F304 HydrophobicContact CD1-CD2 4.09Å; Y302-F304 AromaticContact CD1-CE1 3.97Å; Y302-F304 HydrophobicContact CD1-CE1 3.97Å; Y302-F304 AromaticContact CD1-CE2 3.77Å; Y302-F304 HydrophobicContact CD1-CE2 3.77Å; Y302-F304 HydrophobicContact CD1-CG 4.33Å; Y302-F304 AromaticContact CD1-CZ 3.71Å; Y302-F304 HydrophobicContact CD1-CZ 3.71Å; Y302-F304 AromaticContact CE1-CD1 3.78Å; Y302-F304 HydrophobicContact CE1-CD1 3.78Å; Y302-F304 HydrophobicContact CE1-CD2 4.42Å; Y302-F304 AromaticContact CE1-CE1 3.49Å; Y302-F304 HydrophobicContact CE1-CE1 3.49Å; Y302-F304 VanDerWaalsContact CE1-CE1 3.49Å; Y302-F304 HydrophobicContact CE1-CE2 4.17Å; Y302-F304 HydrophobicContact CE1-CG 4.23Å; Y302-F304 AromaticContact CE1-CZ 3.71Å; Y302-F304 HydrophobicContact CE1-CZ 3.71Å; F304-M310 HydrophobicContact CB-CE 3.78Å; F304-M310 HydrophobicContact CD1-CE 3.96Å; F304-M310 HydrophobicContact CG-CE 4Å; F304-L335 HydrophobicContact CB-CD2 3.8Å; F304-A388 HydrophobicContact CD1-CB 4.13Å; F304-A388 HydrophobicContact CD2-CB 3.92Å; F304-A388 HydrophobicContact CE1-CB 3.88Å; F304-A388 HydrophobicContact CE2-CB 3.65Å; F304-A388 HydrophobicContact CG-CB 4.16Å; F304-A388 HydrophobicContact CZ-CB 3.62Å; F304-T410 HydrophobicContact CD2-CG2 4.49Å; F304-T410 HydrophobicContact CE2-CG2 4.05Å
305	H	96.2	Very high	95.5	Very high	104 Å²	104	36.4 Å²	36.4	48%	0.481	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-100.1	139.6	-171.9	-62.3	-65.1	0	0	0	111.5	E303 G307 D308 L335	E303-H305 IonicContact OE2-CE1 3.84Å; H305-G307 PolarHBondContact O-N 3.11Å; H305-D308 PolarHBondContact N-OD2 3.05Å; H305-D308 WeakPolarHBondContact O-CB 3.31Å; H305-D308 PolarHBondContact O-N 3Å; H305-L335 WeakPolarHBondContact O-CD2 3.41Å
306	P	96.8	Very high	95	Very high	78 Å²	78	36.5 Å²	36.5	51%	0.506	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	135.5	172.9	-26.1	34.9	0	0	0	111.1	D337	P306-D337 HydrophobicContact CB-CB 3.87Å; P306-D337 HydrophobicContact CG-CB 3.55Å
307	G	95.2	Very high	94.3	Very high	47 Å²	47	36.8 Å²	36.8	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-14.7	-171.3	0	0	0	0	0	114.5	H305 V309 L335	H305-G307 PolarHBondContact O-N 3.11Å; G307-V309 PolarHBondContact O-N 3.32Å; G307-L335 PolarHBondContact N-O 2.69Å
308	D	95.3	Very high	93.4	Very high	49 Å²	49	41 Å²	41	26%	0.262	24%	0.239	S	C	.	.			trans	-56.1	135.3	175.1	-77.5	-9.4	0	0	0	111.1	H305 M310 T334 L335	H305-D308 PolarHBondContact N-OD2 3.05Å; H305-D308 WeakPolarHBondContact O-CB 3.31Å; H305-D308 PolarHBondContact O-N 3Å; D308-M310 HydrophobicContact CB-CE 4.14Å; D308-T334 WeakPolarHBondContact O-CA 3.33Å; D308-L335 HydrophobicContact CB-CB 4.35Å; D308-L335 PolarHBondContact O-N 3.18Å
309	V	93.8	Very high	92.4	Very high	72 Å²	72	48.2 Å²	48.2	44%	0.436	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.3	173.2	176.1	0	0	0	0	108.6	G307 F311 Q332 S378	G307-V309 PolarHBondContact O-N 3.32Å; V309-F311 HydrophobicContact CG1-CE2 4.16Å; V309-Q332 HydrophobicContact CG1-CG 3.54Å; V309-S378 PolarHBondContact O-OG 2.87Å
310	M	95.1	Very high	91.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.5	-179.1	-57.6	-170.1	168	0	0	110.6	F304 D308 Q332 V333 L335 L376 V377 A388	F304-M310 HydrophobicContact CB-CE 3.78Å; F304-M310 HydrophobicContact CD1-CE 3.96Å; F304-M310 HydrophobicContact CG-CE 4Å; D308-M310 HydrophobicContact CB-CE 4.14Å; M310-Q332 WeakPolarHBondContact O-CA 3.25Å; M310-V333 HydrophobicContact CB-CG2 4.01Å; M310-V333 PolarHBondContact N-O 2.93Å; M310-V333 PolarHBondContact O-N 2.88Å; M310-V333 VanDerWaalsContact O-O 3.13Å; M310-L335 HydrophobicContact CE-CB 3.76Å; M310-L335 HydrophobicContact CE-CD1 3.89Å; M310-L335 HydrophobicContact CE-CD2 3.8Å; M310-L335 HydrophobicContact CE-CG 4Å; M310-L335 HydrophobicContact SD-CB 4.1Å; M310-L335 HydrophobicContact SD-CD1 4.09Å; M310-L376 HydrophobicContact CB-CD1 3.77Å; M310-L376 HydrophobicContact CB-CG 4.25Å; M310-L376 HydrophobicContact SD-CD1 4.3Å; M310-L376 HydrophobicContact SD-CD2 3.66Å; M310-L376 HydrophobicContact SD-CG 3.93Å; M310-V377 CarbonylContact C-O 3.56Å; M310-V377 VanDerWaalsContact CA-O 3.3Å; M310-V377 WeakPolarHBondContact CA-O 3.5Å; M310-V377 WeakPolarHBondContact CB-O 3.34Å; M310-A388 HydrophobicContact CE-CB 4.08Å; M310-A388 HydrophobicContact SD-CB 4.24Å
311	F	94.8	Very high	90.7	Very high	30 Å²	30	54.6 Å²	54.6	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	175.1	-74	-97.6	0	0	0	110	W202 V309 A331 Q332 L376 V377 W385	W202-F311 HydrophobicContact CH2-CB 3.43Å; W202-F311 VanDerWaalsContact CH2-CB 3.43Å; W202-F311 HydrophobicContact CH2-CD1 4.11Å; W202-F311 HydrophobicContact CH2-CD2 4.06Å; W202-F311 AromaticContact CH2-CG 3.6Å; W202-F311 HydrophobicContact CH2-CG 3.6Å; W202-F311 HydrophobicContact CZ2-CB 3.65Å; W202-F311 AromaticContact CZ2-CD1 3.72Å; W202-F311 HydrophobicContact CZ2-CD1 3.72Å; W202-F311 HydrophobicContact CZ2-CD2 4.49Å; W202-F311 AromaticContact CZ2-CG 3.7Å; W202-F311 HydrophobicContact CZ2-CG 3.7Å; W202-F311 HydrophobicContact CZ3-CB 4.35Å; V309-F311 HydrophobicContact CG1-CE2 4.16Å; F311-A331 WeakPolarHBondContact CA-O 3.16Å; F311-Q332 HydrophobicContact CD1-CB 4.28Å; F311-Q332 HydrophobicContact CE1-CB 3.81Å; F311-Q332 HydrophobicContact CE1-CG 4.28Å; F311-Q332 HydrophobicContact CE2-CG 4.3Å; F311-Q332 HydrophobicContact CZ-CB 4.04Å; F311-Q332 HydrophobicContact CZ-CG 4Å; F311-L376 WeakPolarHBondContact O-CA 3.33Å; F311-V377 HydrophobicContact CB-CG2 4.19Å; F311-V377 PolarHBondContact N-O 3.18Å; F311-V377 WeakPolarHBondContact O-CG2 3.47Å; F311-V377 PolarHBondContact O-N 3.34Å; F311-W385 HydrophobicContact CB-CZ3 4.32Å; F311-W385 AromaticContact CD2-CH2 3.47Å; F311-W385 HydrophobicContact CD2-CH2 3.47Å; F311-W385 VanDerWaalsContact CD2-CH2 3.47Å; F311-W385 AromaticContact CD2-CZ3 3.66Å; F311-W385 HydrophobicContact CD2-CZ3 3.66Å; F311-W385 AromaticContact CE2-CH2 3.82Å; F311-W385 HydrophobicContact CE2-CH2 3.82Å; F311-W385 HydrophobicContact CE2-CZ3 4.43Å; F311-W385 HydrophobicContact CG-CH2 4.31Å; F311-W385 HydrophobicContact CG-CZ3 4.33Å
312	V	94.6	Very high	90	Very high	6 Å²	6	52 Å²	52	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.9	166.5	60.7	0	0	0	0	108.7	Q330 A331 V333 A367 P375 L376 V391 Y406	V312-Q330 CarbonylContact O-C 3.57Å; V312-Q330 WeakPolarHBondContact O-CA 3.42Å; V312-A331 HydrophobicContact CG1-CB 3.93Å; V312-A331 PolarHBondContact N-O 3.37Å; V312-A331 PolarHBondContact O-N 2.84Å; V312-V333 HydrophobicContact CG1-CG1 4.1Å; V312-A367 HydrophobicContact CG2-CB 4.12Å; V312-P375 WeakPolarHBondContact CA-O 3.34Å; V312-L376 HydrophobicContact CB-CD1 4.14Å; V312-V391 HydrophobicContact CG2-CG2 3.66Å; V312-Y406 HydrophobicContact CB-CE1 4.47Å; V312-Y406 HydrophobicContact CG2-CE1 4.08Å
313	T	95.1	Very high	89.6	Confident	2 Å²	2	54 Å²	54	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.5	179.2	56	0	0	0	0	111.2	W202 Q205 R329 Q330 P375	W202-T313 HydrophobicContact CB-CG2 4.39Å; W202-T313 HydrophobicContact CD2-CG2 3.78Å; W202-T313 HydrophobicContact CG-CG2 3.63Å; W202-T313 HydrophobicContact CZ2-CG2 4.34Å; Q205-T313 PolarHBondContact OE1-O 3.18Å; Q205-T313 PolarHBondContact OE1-OG1 3.12Å; T313-R329 VanDerWaalsContact CA-O 3.24Å; T313-R329 WeakPolarHBondContact CA-O 3.49Å; T313-Q330 HydrophobicContact CG2-CB 3.74Å; T313-P375 PolarHBondContact N-O 3.39Å; T313-P375 WeakPolarHBondContact OG1-CG 3.17Å
314	G	95.4	Very high	89.4	Confident	4 Å²	4	50 Å²	50	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-179.5	176.9	0	0	0	0	0	114.5	L328 R329 D371	G314-L328 WeakPolarHBondContact O-CD1 3.29Å; G314-R329 PolarHBondContact N-O 2.92Å; G314-R329 VanDerWaalsContact N-O 3.07Å; G314-R329 PolarHBondContact O-N 3.07Å; G314-D371 VanDerWaalsContact C-OD1 3.22Å; G314-D371 WeakPolarHBondContact CA-OD1 3.35Å
315	F	94.9	Very high	89.2	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	30%	0.299	C	S	.	.	S	Bend	trans	-109.6	15.5	-178.2	-60.1	-83.4	0	0	0	111.1	Q205 I250 S324 Q325 L328 D371	Q205-F315 HydrophobicContact CG-CE2 3.88Å; Q205-F315 HydrophobicContact CG-CZ 4.45Å; I250-F315 HydrophobicContact CD1-CB 3.84Å; I250-F315 HydrophobicContact CD1-CD1 3.79Å; I250-F315 HydrophobicContact CD1-CD2 4.45Å; I250-F315 HydrophobicContact CD1-CE1 4.44Å; I250-F315 HydrophobicContact CD1-CG 3.79Å; I250-F315 HydrophobicContact CG1-CD1 3.74Å; I250-F315 HydrophobicContact CG1-CD2 4.44Å; I250-F315 HydrophobicContact CG1-CE1 3.88Å; I250-F315 HydrophobicContact CG1-CG 4.03Å; I250-F315 HydrophobicContact CG1-CZ 4.31Å; F315-S324 CarbonylContact O-C 3.48Å; F315-S324 WeakPolarHBondContact O-CA 3.46Å; F315-S324 WeakPolarHBondContact O-CB 3.02Å; F315-Q325 PolarHBondContact O-N 3.31Å; F315-L328 HydrophobicContact CD1-CB 4.33Å; F315-L328 HydrophobicContact CD1-CD1 4.5Å; F315-L328 HydrophobicContact CD2-CD1 4.27Å; F315-L328 HydrophobicContact CE1-CB 3.65Å; F315-L328 HydrophobicContact CE1-CD1 4.21Å; F315-L328 HydrophobicContact CE2-CD1 3.95Å; F315-L328 HydrophobicContact CZ-CB 3.87Å; F315-L328 HydrophobicContact CZ-CD1 3.92Å; F315-L328 HydrophobicContact CZ-CG 4.36Å; F315-D371 PolarHBondContact N-OD1 2.93Å
316	G	87.3	Confident	89.1	Confident	5 Å²	5	50.2 Å²	50.2	5%	0.052	30%	0.296	C	S	.	.			trans	-67.2	176.5	-177.3	0	0	0	0	0	114	Q325 Q369 D371	G316-Q325 WeakPolarHBondContact O-CG 3.16Å; G316-Q369 CarbonylContact C-O 3.34Å; G316-Q369 WeakPolarHBondContact CA-O 3.23Å; G316-D371 VanDerWaalsContact CA-OD1 3.27Å; G316-D371 WeakPolarHBondContact CA-OD1 3.32Å; G316-D371 PolarHBondContact N-OD1 2.8Å
317	A	83.5	Confident	89.1	Confident	7 Å²	7	49 Å²	49	6%	0.058	28%	0.283	C	S	.	.			trans	-66.6	148.1	-179	0	0	0	0	0	112.2	K319 G322 S323 C368 Q369	A317-K319 VanDerWaalsContact C-N 3.27Å; A317-K319 VanDerWaalsContact CB-O 3.32Å; A317-K319 WeakPolarHBondContact CB-O 3.35Å; A317-K319 PolarHBondContact O-N 2.77Å; A317-G322 WeakPolarHBondContact CB-O 3.33Å; A317-S323 WeakPolarHBondContact CA-O 3.45Å; A317-C368 VanDerWaalsContact O-CB 3.24Å; A317-C368 WeakPolarHBondContact O-CB 3.06Å; A317-Q369 PolarHBondContact N-O 3.27Å
318	L	79.4	Confident	89.1	Confident	101 Å²	101	46.8 Å²	46.8	53%	0.529	26%	0.26	S	S	.	.	S	Bend	trans	-81.2	-9.5	176.4	-59.2	-178.5	0	0	0	113.5	Q325 R329	L318-Q325 HydrophobicContact CD1-CG 4.42Å; L318-Q325 HydrophobicContact CD2-CG 4.01Å; L318-Q325 HydrophobicContact CG-CG 3.95Å; L318-R329 VanDerWaalsContact CD2-CD 3.48Å
319	K	75.3	Confident	88.9	Confident	153 Å²	153	47 Å²	47	67%	0.665	26%	0.258	S	S	*	.	S	Bend	trans	-156.4	160.7	-177.5	59.5	178.5	-179.4	176.7	0	108.7	A317 D321 G322	A317-K319 VanDerWaalsContact C-N 3.27Å; A317-K319 VanDerWaalsContact CB-O 3.32Å; A317-K319 WeakPolarHBondContact CB-O 3.35Å; A317-K319 PolarHBondContact O-N 2.77Å; K319-D321 PolarHBondContact O-N 3.23Å; K319-G322 PolarHBondContact O-N 2.82Å
320	N	75.1	Confident	88.8	Confident	52 Å²	52	44.9 Å²	44.9	28%	0.278	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132.8	171.7	-63.6	-25.8	0	0	0	110.7	G322 E396 C397	N320-G322 PolarHBondContact O-N 3.33Å; N320-G322 VanDerWaalsContact O-N 3.09Å; N320-E396 PolarHBondContact ND2-OE2 3.23Å; N320-C397 WeakPolarHBondContact OD1-CA 2.98Å; N320-C397 WeakPolarHBondContact OD1-CB 3.24Å; N320-C397 PolarHBondContact OD1-N 2.03Å; N320-C397 PolarHBondContact OD1-SG 2.82Å
321	D	78	Confident	88.5	Confident	148 Å²	148	45.6 Å²	45.6	79%	0.791	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	20.7	178.2	-51.1	-38.2	0	0	0	113.7	K319	K319-D321 PolarHBondContact O-N 3.23Å
322	G	79.8	Confident	88.2	Confident	26 Å²	26	47.9 Å²	47.9	27%	0.268	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-79.8	170.5	172.8	0	0	0	0	0	113	A317 K319 N320	A317-G322 WeakPolarHBondContact CB-O 3.33Å; K319-G322 PolarHBondContact O-N 2.82Å; N320-G322 PolarHBondContact O-N 3.33Å; N320-G322 VanDerWaalsContact O-N 3.09Å
323	S	85.9	Confident	88	Confident	87 Å²	87	47.7 Å²	47.7	61%	0.608	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-84.8	150.7	173.6	54.1	0	0	0	0	112.1	A317 Q325	A317-S323 WeakPolarHBondContact CA-O 3.45Å; S323-Q325 PolarHBondContact O-NE2 3.13Å
324	S	89.6	Confident	88	Confident	56 Å²	56	50.2 Å²	50.2	39%	0.392	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-58.3	146	169.2	57.6	0	0	0	0	111.6	F315	F315-S324 CarbonylContact O-C 3.48Å; F315-S324 WeakPolarHBondContact O-CA 3.46Å; F315-S324 WeakPolarHBondContact O-CB 3.02Å
325	Q	92.4	Very high	88.1	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-90.9	146.9	178.5	-56.8	-55.5	-68.7	0	0	111.3	I250 F315 G316 L318 S323	I250-Q325 WeakPolarHBondContact CD1-O 3.24Å; F315-Q325 PolarHBondContact O-N 3.31Å; G316-Q325 WeakPolarHBondContact O-CG 3.16Å; L318-Q325 HydrophobicContact CD1-CG 4.42Å; L318-Q325 HydrophobicContact CD2-CG 4.01Å; L318-Q325 HydrophobicContact CG-CG 3.95Å; S323-Q325 PolarHBondContact O-NE2 3.13Å
326	N	94.5	Very high	88.2	Confident	76 Å²	76	51.2 Å²	51.2	41%	0.406	28%	0.279	S	S	.	.	S	Bend	trans	-73.3	-35.6	175.7	-175.1	50.6	0	0	0	112.3	T249 I250 T251	T249-N326 VanDerWaalsContact CA-O 3.32Å; T249-N326 WeakPolarHBondContact CA-O 3.49Å; I250-N326 PolarHBondContact N-O 3.4Å; I250-N326 PolarHBondContact N-OD1 3.28Å; T251-N326 PolarHBondContact N-OD1 2.94Å; T251-N326 PolarHBondContact O-ND2 3Å; T251-N326 PolarHBondContact O-OD1 3.01Å
327	H	95.3	Very high	88.6	Confident	52 Å²	52	53.5 Å²	53.5	24%	0.241	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-97.8	137.3	-176.9	-159.2	89.9	0	0	0	111.1	V197 V248 T249	V197-H327 PolarHBondContact O-NE2 3.02Å; V248-H327 CarbonylContact O-C 3.56Å; V248-H327 WeakPolarHBondContact O-CA 3.23Å; T249-H327 WeakPolarHBondContact CG2-ND1 3.4Å
328	L	95	Very high	89.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.3	C	S	.	.			trans	-65.3	135.4	-177.4	-178.7	59.4	0	0	0	110.7	V197 W202 Q205 V248 G314 F315	V197-L328 HydrophobicContact CB-CB 4.23Å; V197-L328 HydrophobicContact CB-CD2 4.22Å; V197-L328 HydrophobicContact CB-CG 4.08Å; V197-L328 HydrophobicContact CG1-CD2 4.03Å; V197-L328 HydrophobicContact CG1-CG 4.43Å; V197-L328 HydrophobicContact CG2-CD2 4.39Å; V197-L328 HydrophobicContact CG2-CG 3.99Å; V197-L328 PolarHBondContact N-O 3.38Å; W202-L328 HydrophobicContact CB-CD2 4.36Å; Q205-L328 HydrophobicContact CB-CD2 3.95Å; Q205-L328 HydrophobicContact CG-CD1 3.67Å; Q205-L328 HydrophobicContact CG-CD2 3.83Å; Q205-L328 HydrophobicContact CG-CG 4.42Å; V248-L328 HydrophobicContact CB-CB 4.23Å; V248-L328 HydrophobicContact CG1-CD2 4.43Å; V248-L328 WeakPolarHBondContact O-CB 3.34Å; V248-L328 PolarHBondContact O-N 3.45Å; G314-L328 WeakPolarHBondContact O-CD1 3.29Å; F315-L328 HydrophobicContact CD1-CB 4.33Å; F315-L328 HydrophobicContact CD1-CD1 4.5Å; F315-L328 HydrophobicContact CD2-CD1 4.27Å; F315-L328 HydrophobicContact CE1-CB 3.65Å; F315-L328 HydrophobicContact CE1-CD1 4.21Å; F315-L328 HydrophobicContact CE2-CD1 3.95Å; F315-L328 HydrophobicContact CZ-CB 3.87Å; F315-L328 HydrophobicContact CZ-CD1 3.92Å; F315-L328 HydrophobicContact CZ-CG 4.36Å
329	R	92.4	Very high	90	Very high	54 Å²	54	55.9 Å²	55.9	20%	0.204	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.5	176.7	-51.7	-171	80.1	84.1	2.3	111.1	G194 T195 E196 T313 G314 L318	G194-R329 PolarHBondContact O-NH2 3.25Å; T195-R329 CarbonylContact O-C 3.53Å; T195-R329 VanDerWaalsContact O-CA 3.25Å; T195-R329 WeakPolarHBondContact O-CA 3.44Å; E196-R329 VanDerWaalsContact CG-NH1 3.3Å; E196-R329 IonicContact OE1-NH1 3.27Å; E196-R329 PolarHBondContact OE1-NH1 3.47Å; T313-R329 VanDerWaalsContact CA-O 3.24Å; T313-R329 WeakPolarHBondContact CA-O 3.49Å; G314-R329 PolarHBondContact N-O 2.92Å; G314-R329 VanDerWaalsContact N-O 3.07Å; G314-R329 PolarHBondContact O-N 3.07Å; L318-R329 VanDerWaalsContact CD2-CD 3.48Å
330	Q	91.2	Very high	91.1	Very high	27 Å²	27	50.1 Å²	50.1	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.8	173.7	68.1	179.5	60.8	0	0	111.2	G194 T195 V197 V312 T313	G194-Q330 CarbonylContact C-O 3.58Å; G194-Q330 WeakPolarHBondContact CA-O 3.05Å; T195-Q330 PolarHBondContact N-O 3.36Å; T195-Q330 PolarHBondContact O-N 2.92Å; T195-Q330 WeakPolarHBondContact OG1-CG 3.32Å; V197-Q330 HydrophobicContact CG2-CB 3.8Å; V197-Q330 HydrophobicContact CG2-CG 3.98Å; V312-Q330 CarbonylContact O-C 3.57Å; V312-Q330 WeakPolarHBondContact O-CA 3.42Å; T313-Q330 HydrophobicContact CG2-CB 3.74Å
331	A	88.3	Confident	92.1	Very high	16 Å²	16	47.6 Å²	47.6	13%	0.132	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.2	169.2	0	0	0	0	0	110.6	F311 V312	F311-A331 WeakPolarHBondContact CA-O 3.16Å; V312-A331 HydrophobicContact CG1-CB 3.93Å; V312-A331 PolarHBondContact N-O 3.37Å; V312-A331 PolarHBondContact O-N 2.84Å
332	Q	89.9	Confident	93	Very high	78 Å²	78	42.4 Å²	42.4	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.9	171	-174.8	-170.1	-37.8	0	0	109.7	V309 M310 F311 R365	V309-Q332 HydrophobicContact CG1-CG 3.54Å; M310-Q332 WeakPolarHBondContact O-CA 3.25Å; F311-Q332 HydrophobicContact CD1-CB 4.28Å; F311-Q332 HydrophobicContact CE1-CB 3.81Å; F311-Q332 HydrophobicContact CE1-CG 4.28Å; F311-Q332 HydrophobicContact CE2-CG 4.3Å; F311-Q332 HydrophobicContact CZ-CB 4.04Å; F311-Q332 HydrophobicContact CZ-CG 4Å; Q332-R365 WeakPolarHBondContact O-CD 3.49Å; Q332-R365 PolarHBondContact O-NH1 3.42Å; Q332-R365 VanDerWaalsContact O-NH1 3.12Å
333	V	90.6	Very high	93.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	169.1	179.1	-63.9	0	0	0	0	110.3	M310 V312 A358 R365 L376	M310-V333 HydrophobicContact CB-CG2 4.01Å; M310-V333 PolarHBondContact N-O 2.93Å; M310-V333 PolarHBondContact O-N 2.88Å; M310-V333 VanDerWaalsContact O-O 3.13Å; V312-V333 HydrophobicContact CG1-CG1 4.1Å; V333-A358 HydrophobicContact CB-CB 4.47Å; V333-A358 HydrophobicContact CG2-CB 3.92Å; V333-R365 HydrophobicContact CG1-CB 4.48Å; V333-L376 HydrophobicContact CG2-CD1 3.56Å
334	T	94.3	Very high	94.3	Very high	55 Å²	55	45.4 Å²	45.4	34%	0.337	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.2	178.4	-61	0	0	0	0	109.4	D308 I336 A358 G359	D308-T334 WeakPolarHBondContact O-CA 3.33Å; T334-I336 PolarHBondContact O-N 2.61Å; T334-A358 CarbonylContact O-C 3.5Å; T334-A358 VanDerWaalsContact O-CA 3.24Å; T334-A358 WeakPolarHBondContact O-CA 3.34Å; T334-G359 PolarHBondContact N-O 2.88Å; T334-G359 PolarHBondContact O-N 3.08Å
335	L	97.1	Very high	94.5	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.1	173.2	-170.5	66.3	0	0	0	110.1	F304 H305 G307 D308 M310 L356 C357	F304-L335 HydrophobicContact CB-CD2 3.8Å; H305-L335 WeakPolarHBondContact O-CD2 3.41Å; G307-L335 PolarHBondContact N-O 2.69Å; D308-L335 HydrophobicContact CB-CB 4.35Å; D308-L335 PolarHBondContact O-N 3.18Å; M310-L335 HydrophobicContact CE-CB 3.76Å; M310-L335 HydrophobicContact CE-CD1 3.89Å; M310-L335 HydrophobicContact CE-CD2 3.8Å; M310-L335 HydrophobicContact CE-CG 4Å; M310-L335 HydrophobicContact SD-CB 4.1Å; M310-L335 HydrophobicContact SD-CD1 4.09Å; L335-L356 HydrophobicContact CD1-CB 4.34Å; L335-L356 HydrophobicContact CD1-CD1 3.81Å; L335-C357 WeakPolarHBondContact CD1-O 3.43Å
336	I	96.8	Very high	94.6	Very high	18 Å²	18	45.1 Å²	45.1	9%	0.092	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	177.8	-62.5	163.1	0	0	0	107.3	T334 T340 C341 C357 L361 P403	T334-I336 PolarHBondContact O-N 2.61Å; I336-T340 HydrophobicContact CG2-CG2 3.89Å; I336-C341 HydrophobicContact CG2-CB 4.46Å; I336-C357 HydrophobicContact CB-CB 4.2Å; I336-C357 PolarHBondContact N-O 3.07Å; I336-L361 HydrophobicContact CD1-CD2 3.94Å; I336-L361 HydrophobicContact CD1-CG 4.12Å; I336-P403 HydrophobicContact CD1-CB 3.48Å; I336-P403 VanDerWaalsContact CD1-CB 3.48Å; I336-P403 HydrophobicContact CD1-CG 3.83Å
337	D	96.4	Very high	94.6	Very high	52 Å²	52	42.3 Å²	42.3	28%	0.278	23%	0.227	S	C	.	.			trans	-64.5	152.8	179	71	93	0	0	0	111.5	P306 T339 T340 C341	P306-D337 HydrophobicContact CB-CB 3.87Å; P306-D337 HydrophobicContact CG-CB 3.55Å; D337-T339 VanDerWaalsContact C-N 3.25Å; D337-T339 PolarHBondContact O-N 3.17Å; D337-T339 WeakPolarHBondContact OD1-CA 3.46Å; D337-T339 VanDerWaalsContact OD1-CB 3.25Å; D337-T339 WeakPolarHBondContact OD1-CB 3.25Å; D337-T339 PolarHBondContact OD1-N 3.15Å; D337-T340 VanDerWaalsContact CG-OG1 3.24Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 PolarHBondContact OD1-N 3.45Å; D337-T340 PolarHBondContact OD1-OG1 2.99Å; D337-T340 VanDerWaalsContact OD2-CB 3.25Å; D337-T340 WeakPolarHBondContact OD2-CB 3.38Å; D337-T340 PolarHBondContact OD2-OG1 3.42Å; D337-C341 PolarHBondContact O-N 3.16Å
338	T	96.1	Very high	94.7	Very high	45 Å²	45	45.4 Å²	45.4	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-30.4	-175.9	-61.1	0	0	0	0	112.6	C341 N342 I351	T338-C341 PolarHBondContact O-N 2.79Å; T338-N342 WeakPolarHBondContact O-CB 3.02Å; T338-N342 PolarHBondContact O-N 2.94Å; T338-N342 PolarHBondContact O-ND2 3.15Å; T338-I351 HydrophobicContact CG2-CG2 4.18Å
339	T	97	Very high	94.8	Very high	114 Å²	114	48 Å²	48	70%	0.699	27%	0.272	S	S	*	.	H	α-helix	trans	-67.2	-51.9	179.9	-52.8	0	0	0	0	110.2	D337 C341 N342 E343	D337-T339 VanDerWaalsContact C-N 3.25Å; D337-T339 PolarHBondContact O-N 3.17Å; D337-T339 WeakPolarHBondContact OD1-CA 3.46Å; D337-T339 VanDerWaalsContact OD1-CB 3.25Å; D337-T339 WeakPolarHBondContact OD1-CB 3.25Å; D337-T339 PolarHBondContact OD1-N 3.15Å; T339-C341 VanDerWaalsContact C-N 3.29Å; T339-C341 PolarHBondContact O-N 2.82Å; T339-N342 CarbonylContact O-C 3.57Å; T339-N342 PolarHBondContact O-N 2.89Å; T339-N342 VanDerWaalsContact O-N 3.08Å; T339-E343 PolarHBondContact O-N 2.81Å
340	T	96.6	Very high	95	Very high	31 Å²	31	47.8 Å²	47.8	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-43.6	174.6	-59.4	0	0	0	0	111.3	I336 D337 N342 E343 L361	I336-T340 HydrophobicContact CG2-CG2 3.89Å; D337-T340 VanDerWaalsContact CG-OG1 3.24Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 PolarHBondContact OD1-N 3.45Å; D337-T340 PolarHBondContact OD1-OG1 2.99Å; D337-T340 VanDerWaalsContact OD2-CB 3.25Å; D337-T340 WeakPolarHBondContact OD2-CB 3.38Å; D337-T340 PolarHBondContact OD2-OG1 3.42Å; T340-N342 PolarHBondContact O-N 2.89Å; T340-E343 WeakPolarHBondContact O-CB 3.2Å; T340-E343 WeakPolarHBondContact O-CG 3.32Å; T340-E343 PolarHBondContact O-N 3Å; T340-L361 HydrophobicContact CG2-CD1 3.91Å; T340-L361 HydrophobicContact CG2-CD2 4.45Å
341	C	96.2	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-24	-180	-153.9	0	0	0	0	113.5	I336 D337 T338 T339 A346 Y347 I351 C357	I336-C341 HydrophobicContact CG2-CB 4.46Å; D337-C341 PolarHBondContact O-N 3.16Å; T338-C341 PolarHBondContact O-N 2.79Å; T339-C341 VanDerWaalsContact C-N 3.29Å; T339-C341 PolarHBondContact O-N 2.82Å; C341-A346 VanDerWaalsContact O-CB 3.26Å; C341-A346 WeakPolarHBondContact O-CB 3.5Å; C341-Y347 WeakPolarHBondContact O-CB 3.25Å; C341-Y347 PolarHBondContact O-N 3.38Å; C341-Y347 WeakPolarHBondContact SG-CD2 3.36Å; C341-I351 HydrophobicContact CB-CG1 4.18Å; C341-C357 HydrophobicContact CB-CB 3.69Å; C341-C357 WeakPolarHBondContact CB-SG 3.43Å; C341-C357 WeakPolarHBondContact SG-CB 3.33Å; C341-C357 CovalentContact SG-SG 2.01Å; C341-C357 PolarHBondContact SG-SG 2.87Å
342	N	97.3	Very high	95.8	Very high	39 Å²	39	47.4 Å²	47.4	21%	0.209	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.7	176.6	-86.3	-34.2	0	0	0	114.2	T338 T339 T340 N348 G349 A350 I351	T338-N342 WeakPolarHBondContact O-CB 3.02Å; T338-N342 PolarHBondContact O-N 2.94Å; T338-N342 PolarHBondContact O-ND2 3.15Å; T339-N342 CarbonylContact O-C 3.57Å; T339-N342 PolarHBondContact O-N 2.89Å; T339-N342 VanDerWaalsContact O-N 3.08Å; T340-N342 PolarHBondContact O-N 2.89Å; N342-N348 WeakPolarHBondContact O-CA 3.42Å; N342-G349 PolarHBondContact O-N 3.05Å; N342-G349 WeakPolarHBondContact OD1-CA 3.43Å; N342-G349 PolarHBondContact OD1-N 2.85Å; N342-A350 PolarHBondContact OD1-N 3.13Å; N342-I351 PolarHBondContact ND2-O 2.83Å; N342-I351 VanDerWaalsContact OD1-CB 3.25Å; N342-I351 WeakPolarHBondContact OD1-CB 3.14Å; N342-I351 WeakPolarHBondContact OD1-CG1 3.45Å; N342-I351 PolarHBondContact OD1-N 2.73Å
343	E	97.3	Very high	96.1	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	29%	0.292	S	S	.	.	S	Bend	trans	-56.7	152.3	172.8	-71.3	178.9	155.3	0	0	111.5	T339 T340 Q345 A346 Y347 N348	T339-E343 PolarHBondContact O-N 2.81Å; T340-E343 WeakPolarHBondContact O-CB 3.2Å; T340-E343 WeakPolarHBondContact O-CG 3.32Å; T340-E343 PolarHBondContact O-N 3Å; E343-Q345 HydrophobicContact CB-CG 4.23Å; E343-Q345 VanDerWaalsContact CD-NE2 3.29Å; E343-Q345 PolarHBondContact O-N 2.87Å; E343-Q345 VanDerWaalsContact O-N 3.17Å; E343-Q345 PolarHBondContact OE2-NE2 2.72Å; E343-A346 PolarHBondContact O-N 3.29Å; E343-Y347 PolarHBondContact O-N 3.3Å; E343-N348 PolarHBondContact O-N 2.85Å
344	P	96.3	Very high	96.5	Very high	99 Å²	99	50.8 Å²	50.8	64%	0.643	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.5	-178.5	-28.1	36	0	0	0	114.2	A346	P344-A346 VanDerWaalsContact C-N 3.28Å; P344-A346 PolarHBondContact O-N 2.8Å
345	Q	92.8	Very high	96.7	Very high	99 Å²	99	48.5 Å²	48.5	46%	0.463	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.1	177.2	59.7	-90.2	23.4	0	0	114.4	E343	E343-Q345 HydrophobicContact CB-CG 4.23Å; E343-Q345 VanDerWaalsContact CD-NE2 3.29Å; E343-Q345 PolarHBondContact O-N 2.87Å; E343-Q345 VanDerWaalsContact O-N 3.17Å; E343-Q345 PolarHBondContact OE2-NE2 2.72Å
346	A	94.7	Very high	96.7	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-106.3	-179.5	0	0	0	0	0	109.9	C341 E343 P344 N401 K402	C341-A346 VanDerWaalsContact O-CB 3.26Å; C341-A346 WeakPolarHBondContact O-CB 3.5Å; E343-A346 PolarHBondContact O-N 3.29Å; P344-A346 VanDerWaalsContact C-N 3.28Å; P344-A346 PolarHBondContact O-N 2.8Å; A346-N401 VanDerWaalsContact CA-O 3.31Å; A346-N401 WeakPolarHBondContact CA-O 3.43Å; A346-N401 WeakPolarHBondContact CB-O 3.42Å; A346-K402 PolarHBondContact O-NZ 2.83Å
347	Y	96.1	Very high	96.8	Very high	17 Å²	17	47.3 Å²	47.3	7%	0.067	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	4.7	-178	-65.8	-70.9	0	0	0	114.6	C341 E343 G349 A350 I351 W393 D395 K402 P403 V405	C341-Y347 WeakPolarHBondContact O-CB 3.25Å; C341-Y347 PolarHBondContact O-N 3.38Å; C341-Y347 WeakPolarHBondContact SG-CD2 3.36Å; E343-Y347 PolarHBondContact O-N 3.3Å; Y347-G349 PolarHBondContact O-N 3.42Å; Y347-A350 VanDerWaalsContact O-CB 3.24Å; Y347-A350 WeakPolarHBondContact O-CB 3.38Å; Y347-A350 PolarHBondContact O-N 3.18Å; Y347-I351 HydrophobicContact CD2-CD1 3.67Å; Y347-I351 HydrophobicContact CD2-CG1 4.06Å; Y347-I351 HydrophobicContact CE2-CD1 4.33Å; Y347-I351 HydrophobicContact CG-CD1 3.82Å; Y347-I351 HydrophobicContact CG-CG1 4.25Å; Y347-W393 AromaticContact CD1-CH2 3.53Å; Y347-W393 HydrophobicContact CD1-CH2 3.53Å; Y347-W393 AromaticContact CD1-CZ3 3.63Å; Y347-W393 HydrophobicContact CD1-CZ3 3.63Å; Y347-W393 HydrophobicContact CE1-CE3 4.31Å; Y347-W393 AromaticContact CE1-CH2 3.78Å; Y347-W393 HydrophobicContact CE1-CH2 3.78Å; Y347-W393 AromaticContact CE1-CZ3 3.45Å; Y347-W393 HydrophobicContact CE1-CZ3 3.45Å; Y347-W393 VanDerWaalsContact CE1-CZ3 3.45Å; Y347-W393 HydrophobicContact CG-CH2 4.14Å; Y347-D395 HydrophobicContact CE1-CB 4.32Å; Y347-K402 HydrophobicContact CE1-CD 4.31Å; Y347-P403 HydrophobicContact CE2-CG 4.11Å; Y347-P403 VanDerWaalsContact CE2-O 3.25Å; Y347-P403 WeakPolarHBondContact CE2-O 3.49Å; Y347-P403 VanDerWaalsContact CZ-O 3.32Å; Y347-P403 PolarHBondContact OH-O 3.49Å; Y347-V405 HydrophobicContact CD2-CG2 4.14Å; Y347-V405 HydrophobicContact CE1-CG2 4.28Å; Y347-V405 HydrophobicContact CE2-CG2 3.5Å
348	N	96.6	Very high	96.7	Very high	118 Å²	118	44.9 Å²	44.9	63%	0.631	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	52.3	167.9	-168.1	37.9	0	0	0	114	N342 E343 A350	N342-N348 WeakPolarHBondContact O-CA 3.42Å; E343-N348 PolarHBondContact O-N 2.85Å; N348-A350 PolarHBondContact O-N 2.91Å
349	G	96.4	Very high	96.4	Very high	54 Å²	54	42.9 Å²	42.9	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	0.8	178.9	0	0	0	0	0	116.5	N342 Y347 I351	N342-G349 PolarHBondContact O-N 3.05Å; N342-G349 WeakPolarHBondContact OD1-CA 3.43Å; N342-G349 PolarHBondContact OD1-N 2.85Å; Y347-G349 PolarHBondContact O-N 3.42Å; G349-I351 VanDerWaalsContact C-N 3.33Å; G349-I351 PolarHBondContact O-N 2.55Å
350	A	96.6	Very high	95.8	Very high	51 Å²	51	39.3 Å²	39.3	42%	0.421	24%	0.236	S	C	.	.			trans	-74.6	-17.8	-178.9	0	0	0	0	0	114.6	N342 Y347 N348 T352 W393	N342-A350 PolarHBondContact OD1-N 3.13Å; Y347-A350 VanDerWaalsContact O-CB 3.24Å; Y347-A350 WeakPolarHBondContact O-CB 3.38Å; Y347-A350 PolarHBondContact O-N 3.18Å; N348-A350 PolarHBondContact O-N 2.91Å; A350-T352 PolarHBondContact O-N 2.94Å; A350-W393 HydrophobicContact CB-CH2 4.41Å
351	I	97.9	Very high	95.2	Very high	7 Å²	7	41 Å²	41	4%	0.036	24%	0.243	C	C	.	.			trans	-78.8	114.6	-177.6	-51.1	-57	0	0	0	109.9	T338 C341 N342 Y347 G349 M355 W393 V405	T338-I351 HydrophobicContact CG2-CG2 4.18Å; C341-I351 HydrophobicContact CB-CG1 4.18Å; N342-I351 PolarHBondContact ND2-O 2.83Å; N342-I351 VanDerWaalsContact OD1-CB 3.25Å; N342-I351 WeakPolarHBondContact OD1-CB 3.14Å; N342-I351 WeakPolarHBondContact OD1-CG1 3.45Å; N342-I351 PolarHBondContact OD1-N 2.73Å; Y347-I351 HydrophobicContact CD2-CD1 3.67Å; Y347-I351 HydrophobicContact CD2-CG1 4.06Å; Y347-I351 HydrophobicContact CE2-CD1 4.33Å; Y347-I351 HydrophobicContact CG-CD1 3.82Å; Y347-I351 HydrophobicContact CG-CG1 4.25Å; G349-I351 VanDerWaalsContact C-N 3.33Å; G349-I351 PolarHBondContact O-N 2.55Å; I351-M355 HydrophobicContact CG2-CB 3.77Å; I351-W393 HydrophobicContact CD1-CH2 4.16Å; I351-W393 HydrophobicContact CD1-CZ2 3.82Å; I351-V405 HydrophobicContact CD1-CB 4.44Å; I351-V405 HydrophobicContact CD1-CG1 3.88Å; I351-V405 HydrophobicContact CD1-CG2 3.64Å
352	T	97.9	Very high	94.7	Very high	28 Å²	28	49.4 Å²	49.4	17%	0.172	28%	0.28	C	S	.	.			trans	-88.9	167.2	-178.6	84.3	0	0	0	0	112.6	D274 A350 R354 M355	D274-T352 PolarHBondContact OD1-OG1 2.84Å; D274-T352 VanDerWaalsContact OD1-OG1 3.1Å; A350-T352 PolarHBondContact O-N 2.94Å; T352-R354 PolarHBondContact O-N 3.08Å; T352-R354 VanDerWaalsContact O-N 3.09Å; T352-R354 PolarHBondContact OG1-N 3.22Å; T352-R354 PolarHBondContact OG1-NE 3.2Å; T352-R354 PolarHBondContact OG1-NH2 2.85Å; T352-M355 HydrophobicContact CG2-CE 4.09Å; T352-M355 HydrophobicContact CG2-SD 4.09Å; T352-M355 WeakPolarHBondContact O-CB 3.49Å; T352-M355 PolarHBondContact O-N 3.28Å
353	P	97.7	Very high	93.6	Very high	94 Å²	94	47.7 Å²	47.7	61%	0.61	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.4	174.7	-28.2	35	0	0	0	115.7	M355 R408	P353-M355 PolarHBondContact O-N 2.86Å; P353-R408 WeakPolarHBondContact O-CD 3.36Å; P353-R408 PolarHBondContact O-NE 3.39Å
354	R	98.5	Very high	92.3	Very high	57 Å²	57	50.7 Å²	50.7	22%	0.215	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.9	175.9	-67.5	73	54.6	-170.4	-4.4	112.3	D274 Y275 T352 R408 L412	D274-R354 IonicContact OD1-CZ 3.33Å; D274-R354 VanDerWaalsContact OD1-CZ 3.28Å; D274-R354 IonicContact OD1-NE 3.85Å; D274-R354 PolarHBondContact OD1-NE 3.09Å; D274-R354 IonicContact OD1-NH2 3.63Å; D274-R354 PolarHBondContact OD1-NH2 2.69Å; D274-R354 IonicContact OD2-CZ 2.83Å; D274-R354 IonicContact OD2-NE 2.9Å; D274-R354 PolarHBondContact OD2-NE 2.84Å; D274-R354 IonicContact OD2-NH2 3.71Å; D274-R354 PolarHBondContact OD2-NH2 3.22Å; Y275-R354 HydrophobicContact CD1-CG 4.3Å; Y275-R354 HydrophobicContact CE1-CG 4.06Å; T352-R354 PolarHBondContact O-N 3.08Å; T352-R354 VanDerWaalsContact O-N 3.09Å; T352-R354 PolarHBondContact OG1-N 3.22Å; T352-R354 PolarHBondContact OG1-NE 3.2Å; T352-R354 PolarHBondContact OG1-NH2 2.85Å; R354-R408 WeakPolarHBondContact O-CB 3.4Å; R354-R408 PolarHBondContact O-N 3.44Å; R354-L412 HydrophobicContact CG-CD2 4.13Å
355	M	98.6	Very high	91	Very high	6 Å²	6	49 Å²	49	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.1	-179.7	-62.3	167.5	-178.9	0	0	111	H273 D274 I351 T352 P353 W393 V405 Y406 R408	H273-M355 HydrophobicContact CB-CE 3.92Å; H273-M355 WeakPolarHBondContact O-CE 3.09Å; D274-M355 HydrophobicContact CB-CE 4.29Å; I351-M355 HydrophobicContact CG2-CB 3.77Å; T352-M355 HydrophobicContact CG2-CE 4.09Å; T352-M355 HydrophobicContact CG2-SD 4.09Å; T352-M355 WeakPolarHBondContact O-CB 3.49Å; T352-M355 PolarHBondContact O-N 3.28Å; P353-M355 PolarHBondContact O-N 2.86Å; M355-W393 HydrophobicContact SD-CZ2 4.32Å; M355-V405 HydrophobicContact CB-CG1 3.98Å; M355-V405 HydrophobicContact CG-CG1 4.16Å; M355-V405 HydrophobicContact SD-CG1 4.12Å; M355-Y406 CarbonylContact C-O 3.57Å; M355-Y406 VanDerWaalsContact CA-O 3.27Å; M355-Y406 WeakPolarHBondContact CA-O 3.46Å; M355-R408 PolarHBondContact O-NE 2.69Å; M355-R408 VanDerWaalsContact O-NE 3.1Å; M355-R408 PolarHBondContact O-NH2 3.32Å
356	L	97.8	Very high	89.8	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.5	167.8	65	88.5	0	0	0	109.3	L335 L376 A388 Y406 R408	L335-L356 HydrophobicContact CD1-CB 4.34Å; L335-L356 HydrophobicContact CD1-CD1 3.81Å; L356-L376 HydrophobicContact CD1-CD2 3.49Å; L356-L376 VanDerWaalsContact CD1-CD2 3.49Å; L356-A388 WeakPolarHBondContact CD2-O 3.31Å; L356-Y406 HydrophobicContact CD1-CD2 4.05Å; L356-Y406 HydrophobicContact CD1-CG 4.12Å; L356-Y406 PolarHBondContact N-O 2.95Å; L356-Y406 PolarHBondContact O-N 3.3Å; L356-R408 HydrophobicContact CD2-CB 4.02Å; L356-R408 HydrophobicContact CD2-CG 4.14Å
357	C	97.4	Very high	88.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.7	178.6	-61.2	0	0	0	0	110.4	L335 I336 C341 P403 G404	L335-C357 WeakPolarHBondContact CD1-O 3.43Å; I336-C357 HydrophobicContact CB-CB 4.2Å; I336-C357 PolarHBondContact N-O 3.07Å; C341-C357 HydrophobicContact CB-CB 3.69Å; C341-C357 WeakPolarHBondContact CB-SG 3.43Å; C341-C357 WeakPolarHBondContact SG-CB 3.33Å; C341-C357 CovalentContact SG-SG 2.01Å; C341-C357 PolarHBondContact SG-SG 2.87Å; C357-P403 HydrophobicContact CB-CG 4.17Å; C357-G404 WeakPolarHBondContact CA-O 3.33Å
358	A	95.1	Very high	87.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.8	173.8	0	0	0	0	0	110.4	V333 T334 L376 G404 Y406	V333-A358 HydrophobicContact CB-CB 4.47Å; V333-A358 HydrophobicContact CG2-CB 3.92Å; T334-A358 CarbonylContact O-C 3.5Å; T334-A358 VanDerWaalsContact O-CA 3.24Å; T334-A358 WeakPolarHBondContact O-CA 3.34Å; A358-L376 HydrophobicContact CB-CD1 4.2Å; A358-L376 HydrophobicContact CB-CD2 3.78Å; A358-G404 PolarHBondContact N-O 2.79Å; A358-G404 VanDerWaalsContact N-O 3.07Å; A358-G404 PolarHBondContact O-N 3.25Å; A358-Y406 HydrophobicContact CB-CD2 4.17Å; A358-Y406 HydrophobicContact CB-CE2 3.77Å
359	G	89.9	Confident	86.6	Confident	4 Å²	4	43.9 Å²	43.9	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-147.1	-178.2	0	0	0	0	0	112	T334	T334-G359 PolarHBondContact N-O 2.88Å; T334-G359 PolarHBondContact O-N 3.08Å
360	S	84.3	Confident	85.5	Confident	39 Å²	39	42 Å²	42	27%	0.273	22%	0.221	S	C	.	.			trans	-131.7	124.9	171.7	154	0	0	0	0	108.1	K362 G363	S360-K362 PolarHBondContact O-N 3.24Å; S360-K362 PolarHBondContact OG-N 2.94Å; S360-G363 VanDerWaalsContact CB-O 3.23Å; S360-G363 WeakPolarHBondContact CB-O 3.19Å; S360-G363 WeakPolarHBondContact O-CA 3.24Å; S360-G363 PolarHBondContact O-N 3.17Å; S360-G363 PolarHBondContact OG-O 3.07Å
361	L	84.7	Confident	85.2	Confident	66 Å²	66	40.4 Å²	40.4	35%	0.346	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.1	176.5	-66.4	176.2	0	0	0	112.4	I336 T340 G363 P400 N401 P403	I336-L361 HydrophobicContact CD1-CD2 3.94Å; I336-L361 HydrophobicContact CD1-CG 4.12Å; T340-L361 HydrophobicContact CG2-CD1 3.91Å; T340-L361 HydrophobicContact CG2-CD2 4.45Å; L361-G363 PolarHBondContact O-N 3Å; L361-P400 WeakPolarHBondContact O-CA 3.36Å; L361-N401 PolarHBondContact O-N 2.68Å; L361-P403 HydrophobicContact CD2-CG 4.43Å
362	K	84.1	Confident	85	Confident	177 Å²	177	41.2 Å²	41.2	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	4.5	172.4	-58.7	-175.7	-179.4	-179.6	0	112.9	S360	S360-K362 PolarHBondContact O-N 3.24Å; S360-K362 PolarHBondContact OG-N 2.94Å
363	G	74.4	Confident	85	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	70.6	-152.7	-169.9	0	0	0	0	0	112.5	S360 L361 R365 A398	S360-G363 VanDerWaalsContact CB-O 3.23Å; S360-G363 WeakPolarHBondContact CB-O 3.19Å; S360-G363 WeakPolarHBondContact O-CA 3.24Å; S360-G363 PolarHBondContact O-N 3.17Å; S360-G363 PolarHBondContact OG-O 3.07Å; L361-G363 PolarHBondContact O-N 3Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 2.92Å; G363-A398 VanDerWaalsContact CA-O 3.23Å; G363-A398 WeakPolarHBondContact CA-O 3.25Å
364	K	71.3	Confident	85	Confident	139 Å²	139	35.4 Å²	35.4	60%	0.604	17%	0.174	S	C	*	.	S	Bend	trans	75.6	-21.6	173.8	-51.8	179.2	179.2	-176.8	0	117.2	V192 A398	V192-K364 HydrophobicContact CG1-CB 3.81Å; V192-K364 WeakPolarHBondContact CG1-O 3.47Å; V192-K364 HydrophobicContact CG2-CB 4.42Å; K364-A398 PolarHBondContact N-O 3.29Å
365	R	67.9	Low	85	Confident	65 Å²	65	32.7 Å²	32.7	25%	0.245	16%	0.164	C	C	.	.			trans	-136.2	117.4	179	-63.6	-172.3	178.5	-177.7	-6.1	109.7	I191 Q332 V333 G363	I191-R365 PolarHBondContact O-NH2 3.22Å; I191-R365 VanDerWaalsContact O-NH2 3.13Å; Q332-R365 WeakPolarHBondContact O-CD 3.49Å; Q332-R365 PolarHBondContact O-NH1 3.42Å; Q332-R365 VanDerWaalsContact O-NH1 3.12Å; V333-R365 HydrophobicContact CG1-CB 4.48Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 2.92Å
366	D	67.7	Low	85	Confident	24 Å²	24	32.4 Å²	32.4	13%	0.128	16%	0.163	C	C	.	.			trans	-160.8	162.3	-176.2	-155	3	0	0	0	110.8	A398 G404	D366-A398 HydrophobicContact CB-CB 3.87Å; D366-A398 VanDerWaalsContact CB-N 3.29Å; D366-A398 PolarHBondContact OD2-N 3.42Å; D366-G404 WeakPolarHBondContact OD1-CA 3.34Å; D366-G404 PolarHBondContact OD1-N 2.78Å; D366-G404 VanDerWaalsContact OD1-N 3.11Å
367	A	69.4	Low	85	Confident	11 Å²	11	32.2 Å²	32.2	9%	0.091	16%	0.162	C	C	.	.			trans	-73.4	154.7	160.1	0	0	0	0	0	109.1	V312 D371 V391	V312-A367 HydrophobicContact CG2-CB 4.12Å; A367-D371 HydrophobicContact CB-CB 4.05Å; A367-V391 HydrophobicContact CB-CG1 3.73Å; A367-V391 HydrophobicContact CB-CG2 4.1Å
368	C	78.9	Confident	84.9	Confident	14 Å²	14	32.6 Å²	32.6	10%	0.095	17%	0.165	C	C	.	.			trans	-135.2	-177.7	179.4	-160.9	0	0	0	0	112.3	A317 G370 D371 C397	A317-C368 VanDerWaalsContact O-CB 3.24Å; A317-C368 WeakPolarHBondContact O-CB 3.06Å; C368-G370 PolarHBondContact O-N 3.27Å; C368-D371 PolarHBondContact N-OD2 2.95Å; C368-D371 WeakPolarHBondContact O-CB 3.45Å; C368-D371 PolarHBondContact O-N 3.41Å; C368-C397 WeakPolarHBondContact CA-SG 3.16Å; C368-C397 HydrophobicContact CB-CB 3.7Å; C368-C397 WeakPolarHBondContact CB-SG 3.48Å; C368-C397 WeakPolarHBondContact SG-CB 3.41Å; C368-C397 CovalentContact SG-SG 2.03Å; C368-C397 PolarHBondContact SG-SG 2.78Å
369	Q	72.3	Confident	84.9	Confident	79 Å²	79	34.7 Å²	34.7	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	127.1	-179	-64.1	118.2	-15.3	0	0	110.9	G316 A317	G316-Q369 CarbonylContact C-O 3.34Å; G316-Q369 WeakPolarHBondContact CA-O 3.23Å; A317-Q369 PolarHBondContact N-O 3.27Å
370	G	73.3	Confident	84.9	Confident	15 Å²	15	35.1 Å²	35.1	16%	0.155	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-13.8	-174.3	0	0	0	0	0	114.6	H214 C368 S372	H214-G370 PolarHBondContact NE2-O 3.32Å; C368-G370 PolarHBondContact O-N 3.27Å; G370-S372 VanDerWaalsContact C-N 3.29Å
371	D	89.4	Confident	85.1	Confident	17 Å²	17	37.7 Å²	37.7	9%	0.091	20%	0.204	C	C	.	.			trans	-80.7	-13.7	169	-63.3	-42.1	0	0	0	112.6	G314 F315 G316 A367 C368 G373 G374 V391	G314-D371 VanDerWaalsContact C-OD1 3.22Å; G314-D371 WeakPolarHBondContact CA-OD1 3.35Å; F315-D371 PolarHBondContact N-OD1 2.93Å; G316-D371 VanDerWaalsContact CA-OD1 3.27Å; G316-D371 WeakPolarHBondContact CA-OD1 3.32Å; G316-D371 PolarHBondContact N-OD1 2.8Å; A367-D371 HydrophobicContact CB-CB 4.05Å; C368-D371 PolarHBondContact N-OD2 2.95Å; C368-D371 WeakPolarHBondContact O-CB 3.45Å; C368-D371 PolarHBondContact O-N 3.41Å; D371-G373 PolarHBondContact O-N 2.91Å; D371-G374 WeakPolarHBondContact O-CA 3.41Å; D371-G374 PolarHBondContact O-N 3.3Å; D371-V391 HydrophobicContact CB-CG1 4.18Å; D371-V391 HydrophobicContact CB-CG2 4.44Å; D371-V391 WeakPolarHBondContact O-CB 3.27Å
372	S	93.9	Very high	85.3	Confident	24 Å²	24	35.4 Å²	35.4	17%	0.168	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.1	129.7	176	-74.7	0	0	0	0	113.4	C216 G217 H231 G370 G374	C216-S372 CarbonylContact C-O 3.55Å; C216-S372 WeakPolarHBondContact CA-O 3.43Å; C216-S372 WeakPolarHBondContact CB-O 3.47Å; G217-S372 PolarHBondContact N-O 2.82Å; H231-S372 PolarHBondContact CE1-OG 2.88Å; H231-S372 WeakPolarHBondContact NE2-CB 3.24Å; H231-S372 PolarHBondContact NE2-OG 3.44Å; G370-S372 VanDerWaalsContact C-N 3.29Å; S372-G374 PolarHBondContact O-N 2.85Å
373	G	97.9	Very high	85.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-8.2	-177	0	0	0	0	0	115.1	G217 A218 S228 D371 V391	G217-G373 VanDerWaalsContact C-C 3.5Å; G217-G373 CarbonylContact C-O 3.56Å; G217-G373 CarbonylContact O-C 3.56Å; G217-G373 VanDerWaalsContact O-C 3.24Å; G217-G373 WeakPolarHBondContact O-CA 3.23Å; A218-G373 WeakPolarHBondContact CA-O 3.15Å; S228-G373 WeakPolarHBondContact OG-CA 3.19Å; D371-G373 PolarHBondContact O-N 2.91Å; G373-V391 PolarHBondContact N-O 2.91Å
374	G	98	Very high	86.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.			trans	-68.4	164.1	173.3	0	0	0	0	0	113.1	D371 S372 I390 V391	D371-G374 WeakPolarHBondContact O-CA 3.41Å; D371-G374 PolarHBondContact O-N 3.3Å; S372-G374 PolarHBondContact O-N 2.85Å; G374-I390 WeakPolarHBondContact O-CA 3.29Å; G374-V391 WeakPolarHBondContact O-CG2 3.42Å; G374-V391 PolarHBondContact O-N 2.91Å
375	P	98.5	Very high	87.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	143.7	-176.1	29.6	-32.1	0	0	0	113.1	Q205 T219 V312 T313 V377 L387	Q205-P375 VanDerWaalsContact OE1-CD 3.28Å; T219-P375 HydrophobicContact CG2-CB 4.08Å; T219-P375 VanDerWaalsContact OG1-CB 3.3Å; T219-P375 WeakPolarHBondContact OG1-CB 3.32Å; V312-P375 WeakPolarHBondContact CA-O 3.34Å; T313-P375 PolarHBondContact N-O 3.39Å; T313-P375 WeakPolarHBondContact OG1-CG 3.17Å; P375-V377 HydrophobicContact CB-CG1 4.04Å; P375-L387 HydrophobicContact CB-CD1 3.6Å
376	L	98.4	Very high	89	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.5	153.6	179.7	74.4	0	0	0	108.2	M310 F311 V312 V333 L356 A358 A388 G389 Y406	M310-L376 HydrophobicContact CB-CD1 3.77Å; M310-L376 HydrophobicContact CB-CG 4.25Å; M310-L376 HydrophobicContact SD-CD1 4.3Å; M310-L376 HydrophobicContact SD-CD2 3.66Å; M310-L376 HydrophobicContact SD-CG 3.93Å; F311-L376 WeakPolarHBondContact O-CA 3.33Å; V312-L376 HydrophobicContact CB-CD1 4.14Å; V333-L376 HydrophobicContact CG2-CD1 3.56Å; L356-L376 HydrophobicContact CD1-CD2 3.49Å; L356-L376 VanDerWaalsContact CD1-CD2 3.49Å; A358-L376 HydrophobicContact CB-CD1 4.2Å; A358-L376 HydrophobicContact CB-CD2 3.78Å; L376-A388 PolarHBondContact O-N 2.03Å; L376-G389 PolarHBondContact N-O 2.79Å; L376-G389 PolarHBondContact O-N 3.16Å; L376-G389 VanDerWaalsContact O-N 3.09Å; L376-Y406 HydrophobicContact CB-CD1 3.61Å; L376-Y406 HydrophobicContact CB-CE1 3.74Å; L376-Y406 HydrophobicContact CB-CG 4.38Å; L376-Y406 HydrophobicContact CD1-CE1 4.04Å; L376-Y406 HydrophobicContact CD2-CD1 3.91Å; L376-Y406 HydrophobicContact CD2-CD2 4.08Å; L376-Y406 HydrophobicContact CD2-CE1 4.15Å; L376-Y406 HydrophobicContact CD2-CE2 4.36Å; L376-Y406 HydrophobicContact CD2-CG 3.89Å; L376-Y406 HydrophobicContact CG-CD1 4.24Å; L376-Y406 HydrophobicContact CG-CE1 4.2Å
377	V	98.2	Very high	90.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150	-174.2	-67	0	0	0	0	112.9	W202 W204 V295 M310 F311 P375 W385 Y386 L387	W202-V377 HydrophobicContact CE3-CG2 4.14Å; W202-V377 HydrophobicContact CH2-CG2 4.08Å; W202-V377 HydrophobicContact CZ3-CG2 3.52Å; W204-V377 HydrophobicContact CZ2-CG1 4.35Å; W204-V377 HydrophobicContact CZ2-CG2 4.36Å; V295-V377 HydrophobicContact CG2-CG1 4Å; M310-V377 CarbonylContact C-O 3.56Å; M310-V377 VanDerWaalsContact CA-O 3.3Å; M310-V377 WeakPolarHBondContact CA-O 3.5Å; M310-V377 WeakPolarHBondContact CB-O 3.34Å; F311-V377 HydrophobicContact CB-CG2 4.19Å; F311-V377 PolarHBondContact N-O 3.18Å; F311-V377 WeakPolarHBondContact O-CG2 3.47Å; F311-V377 PolarHBondContact O-N 3.34Å; P375-V377 HydrophobicContact CB-CG1 4.04Å; V377-W385 HydrophobicContact CB-CE3 3.85Å; V377-W385 HydrophobicContact CB-CZ3 4.49Å; V377-W385 HydrophobicContact CG2-CE3 3.53Å; V377-W385 HydrophobicContact CG2-CZ3 3.88Å; V377-Y386 WeakPolarHBondContact CA-O 3.33Å; V377-Y386 WeakPolarHBondContact CB-O 3.16Å; V377-L387 HydrophobicContact CG1-CD1 4.25Å
378	S	96.3	Very high	91.9	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.063	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	170.8	-167.1	0	0	0	0	109.7	V309 W385 Y386	V309-S378 PolarHBondContact O-OG 2.87Å; S378-W385 WeakPolarHBondContact O-CA 3.28Å; S378-Y386 PolarHBondContact N-O 2.74Å; S378-Y386 VanDerWaalsContact N-O 3.13Å; S378-Y386 PolarHBondContact O-N 3.41Å
379	S	94.1	Very high	92.8	Very high	44 Å²	44	21 Å²	21	31%	0.308	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.4	-179.9	56.5	0	0	0	0	111.8	I384	S379-I384 CarbonylContact C-O 3.56Å; S379-I384 VanDerWaalsContact CA-O 3.28Å; S379-I384 WeakPolarHBondContact CA-O 3.42Å
380	D	90.7	Very high	94.1	Very high	12 Å²	12	17.2 Å²	17.2	6%	0.064	11%	0.112	C	C	.	.			trans	-78.1	-179.4	166.1	76.5	2.5	0	0	0	111.7	T76 R382 D383 I384 Y386	T76-D380 WeakPolarHBondContact CG2-OD2 3.42Å; D380-R382 PolarHBondContact O-N 2.82Å; D380-R382 WeakPolarHBondContact OD1-CA 3.14Å; D380-R382 VanDerWaalsContact OD1-CB 3.3Å; D380-R382 WeakPolarHBondContact OD1-CB 3Å; D380-R382 PolarHBondContact OD1-N 2.74Å; D380-R382 IonicContact OD1-NE 3.84Å; D380-R382 IonicContact OD2-CZ 2.83Å; D380-R382 IonicContact OD2-NE 2.68Å; D380-R382 PolarHBondContact OD2-NE 3.15Å; D380-R382 IonicContact OD2-NH2 2.64Å; D380-R382 PolarHBondContact OD2-NH2 2.81Å; D380-D383 PolarHBondContact O-N 3.31Å; D380-D383 VanDerWaalsContact O-N 3.12Å; D380-D383 PolarHBondContact OD1-N 3.46Å; D380-I384 PolarHBondContact N-O 3.11Å; D380-I384 WeakPolarHBondContact OD1-CB 2.98Å; D380-I384 PolarHBondContact OD1-N 3.01Å; D380-I384 VanDerWaalsContact OD1-N 3.09Å; D380-Y386 HydrophobicContact CB-CE2 4.03Å
381	A	87.8	Confident	95.3	Very high	93 Å²	93	17 Å²	17	77%	0.769	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.6	179.3	0	0	0	0	0	114.8
382	R	88.4	Confident	95.6	Very high	18 Å²	18	16.4 Å²	16.4	7%	0.068	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.2	179	-51.4	178.4	-70.8	169.5	-5.4	112.5	T76 S79 Q80 E83 D380 I384 Y386	T76-R382 PolarHBondContact OG1-NH2 3.17Å; S79-R382 PolarHBondContact OG-NH1 2.93Å; Q80-R382 HydrophobicContact CG-CG 3.55Å; E83-R382 WeakPolarHBondContact OE1-CD 3.32Å; E83-R382 WeakPolarHBondContact OE2-CB 3.15Å; E83-R382 WeakPolarHBondContact OE2-CD 3.19Å; E83-R382 WeakPolarHBondContact OE2-CG 3.46Å; D380-R382 PolarHBondContact O-N 2.82Å; D380-R382 WeakPolarHBondContact OD1-CA 3.14Å; D380-R382 VanDerWaalsContact OD1-CB 3.3Å; D380-R382 WeakPolarHBondContact OD1-CB 3Å; D380-R382 PolarHBondContact OD1-N 2.74Å; D380-R382 IonicContact OD1-NE 3.84Å; D380-R382 IonicContact OD2-CZ 2.83Å; D380-R382 IonicContact OD2-NE 2.68Å; D380-R382 PolarHBondContact OD2-NE 3.15Å; D380-R382 IonicContact OD2-NH2 2.64Å; D380-R382 PolarHBondContact OD2-NH2 2.81Å; R382-I384 HydrophobicContact CB-CG1 4.03Å; R382-I384 PolarHBondContact O-N 2.72Å; R382-Y386 PolarHBondContact NH2-OH 3.42Å
383	D	89.3	Confident	95.6	Very high	108 Å²	108	17.9 Å²	17.9	58%	0.578	11%	0.107	S	C	*	.	S	Bend	trans	60.8	27.4	-170.7	-61.4	-50.6	0	0	0	113.6	D380 W385	D380-D383 PolarHBondContact O-N 3.31Å; D380-D383 VanDerWaalsContact O-N 3.12Å; D380-D383 PolarHBondContact OD1-N 3.46Å; D383-W385 VanDerWaalsContact O-CD1 3.32Å
384	I	93.1	Very high	95.1	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.056	12%	0.124	C	C	.	.			trans	-93.4	125.9	173.3	-58.5	-60.8	0	0	0	109.4	T179 C296 S379 D380 R382 Y386	T179-I384 HydrophobicContact CG2-CD1 3.87Å; C296-I384 WeakPolarHBondContact SG-CG2 3.48Å; S379-I384 CarbonylContact C-O 3.56Å; S379-I384 VanDerWaalsContact CA-O 3.28Å; S379-I384 WeakPolarHBondContact CA-O 3.42Å; D380-I384 PolarHBondContact N-O 3.11Å; D380-I384 WeakPolarHBondContact OD1-CB 2.98Å; D380-I384 PolarHBondContact OD1-N 3.01Å; D380-I384 VanDerWaalsContact OD1-N 3.09Å; R382-I384 HydrophobicContact CB-CG1 4.03Å; R382-I384 PolarHBondContact O-N 2.72Å; I384-Y386 HydrophobicContact CB-CE2 4.19Å; I384-Y386 HydrophobicContact CG2-CE2 3.84Å; I384-Y386 VanDerWaalsContact O-CD2 3.31Å; I384-Y386 WeakPolarHBondContact O-CD2 3.32Å; I384-Y386 WeakPolarHBondContact O-CE2 3.19Å
385	W	96.4	Very high	94.5	Very high	10 Å²	10	22.2 Å²	22.2	4%	0.038	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.7	-172.8	-66.2	76	0	0	0	112.8	G178 R180 W202 W204 V295 C296 F311 V377 S378 D383	G178-W385 WeakPolarHBondContact CA-O 3.38Å; G178-W385 WeakPolarHBondContact O-CB 3.45Å; G178-W385 PolarHBondContact O-N 2.93Å; R180-W385 VanDerWaalsContact CZ-CZ2 3.41Å; W202-W385 HydrophobicContact CH2-CD2 4.42Å; W202-W385 HydrophobicContact CH2-CE3 4.03Å; W202-W385 AromaticContact CH2-CH2 3.61Å; W202-W385 HydrophobicContact CH2-CH2 3.61Å; W202-W385 HydrophobicContact CH2-CZ2 4.05Å; W202-W385 AromaticContact CH2-CZ3 3.59Å; W202-W385 HydrophobicContact CH2-CZ3 3.59Å; W202-W385 AromaticContact CZ3-CD2 3.87Å; W202-W385 HydrophobicContact CZ3-CD2 3.87Å; W202-W385 AromaticContact CZ3-CE3 3.67Å; W202-W385 HydrophobicContact CZ3-CE3 3.67Å; W202-W385 HydrophobicContact CZ3-CH2 4.05Å; W202-W385 HydrophobicContact CZ3-CZ2 4.26Å; W202-W385 AromaticContact CZ3-CZ3 3.75Å; W202-W385 HydrophobicContact CZ3-CZ3 3.75Å; W204-W385 HydrophobicContact CH2-CB 3.37Å; W204-W385 HydrophobicContact CH2-CD2 4.48Å; W204-W385 AromaticContact CH2-CG 3.65Å; W204-W385 HydrophobicContact CH2-CG 3.65Å; W204-W385 HydrophobicContact CZ2-CB 3.71Å; W204-W385 HydrophobicContact CZ2-CG 4.05Å; W204-W385 HydrophobicContact CZ3-CB 4.28Å; V295-W385 WeakPolarHBondContact CG2-O 3.38Å; C296-W385 WeakPolarHBondContact CB-O 3.47Å; C296-W385 PolarHBondContact N-O 3.47Å; F311-W385 HydrophobicContact CB-CZ3 4.32Å; F311-W385 AromaticContact CD2-CH2 3.47Å; F311-W385 HydrophobicContact CD2-CH2 3.47Å; F311-W385 VanDerWaalsContact CD2-CH2 3.47Å; F311-W385 AromaticContact CD2-CZ3 3.66Å; F311-W385 HydrophobicContact CD2-CZ3 3.66Å; F311-W385 AromaticContact CE2-CH2 3.82Å; F311-W385 HydrophobicContact CE2-CH2 3.82Å; F311-W385 HydrophobicContact CE2-CZ3 4.43Å; F311-W385 HydrophobicContact CG-CH2 4.31Å; F311-W385 HydrophobicContact CG-CZ3 4.33Å; V377-W385 HydrophobicContact CB-CE3 3.85Å; V377-W385 HydrophobicContact CB-CZ3 4.49Å; V377-W385 HydrophobicContact CG2-CE3 3.53Å; V377-W385 HydrophobicContact CG2-CZ3 3.88Å; S378-W385 WeakPolarHBondContact O-CA 3.28Å; D383-W385 VanDerWaalsContact O-CD1 3.32Å
386	Y	98.1	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.9	180	-67.1	-98.5	0	0	0	110.9	A71 T76 C296 P298 V377 S378 D380 R382 I384 A388	A71-Y386 HydrophobicContact CB-CD1 4.48Å; A71-Y386 HydrophobicContact CB-CE1 3.52Å; T76-Y386 PolarHBondContact OG1-OH 3.3Å; C296-Y386 HydrophobicContact CB-CD1 3.65Å; C296-Y386 HydrophobicContact CB-CE1 3.75Å; C296-Y386 HydrophobicContact CB-CG 4.13Å; C296-Y386 WeakPolarHBondContact O-CA 3.49Å; P298-Y386 HydrophobicContact CB-CD1 4.16Å; V377-Y386 WeakPolarHBondContact CA-O 3.33Å; V377-Y386 WeakPolarHBondContact CB-O 3.16Å; S378-Y386 PolarHBondContact N-O 2.74Å; S378-Y386 VanDerWaalsContact N-O 3.13Å; S378-Y386 PolarHBondContact O-N 3.41Å; D380-Y386 HydrophobicContact CB-CE2 4.03Å; R382-Y386 PolarHBondContact NH2-OH 3.42Å; I384-Y386 HydrophobicContact CB-CE2 4.19Å; I384-Y386 HydrophobicContact CG2-CE2 3.84Å; I384-Y386 VanDerWaalsContact O-CD2 3.31Å; I384-Y386 WeakPolarHBondContact O-CD2 3.32Å; I384-Y386 WeakPolarHBondContact O-CE2 3.19Å; Y386-A388 PolarHBondContact O-N 2.97Å
387	L	98.7	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	98.6	171.8	-173.7	63.8	0	0	0	110.1	T219 I221 V227 V295 C296 L297 P298 P375 V377 G389 V409	T219-L387 HydrophobicContact CG2-CD1 4.18Å; T219-L387 HydrophobicContact CG2-CD2 4.24Å; I221-L387 HydrophobicContact CG2-CD2 4.48Å; V227-L387 HydrophobicContact CG1-CD2 3.47Å; V227-L387 VanDerWaalsContact CG1-CD2 3.47Å; V295-L387 HydrophobicContact CG1-CB 3.93Å; V295-L387 HydrophobicContact CG2-CB 4.32Å; C296-L387 PolarHBondContact O-N 2.91Å; L297-L387 HydrophobicContact CD2-CB 4.39Å; L297-L387 HydrophobicContact CD2-CD2 4.11Å; P298-L387 VanDerWaalsContact CD-O 3.27Å; P298-L387 WeakPolarHBondContact CD-O 3.17Å; P298-L387 WeakPolarHBondContact CG-O 3.43Å; P375-L387 HydrophobicContact CB-CD1 3.6Å; V377-L387 HydrophobicContact CG1-CD1 4.25Å; L387-G389 WeakPolarHBondContact CD1-O 3.01Å; L387-V409 HydrophobicContact CD2-CG2 4.03Å; L387-V409 HydrophobicContact CG-CG2 3.8Å; L387-V409 WeakPolarHBondContact O-CB 3.2Å; L387-V409 WeakPolarHBondContact O-CG1 3.25Å
388	A	98.6	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-41.4	178.3	0	0	0	0	0	111.5	F304 M310 L356 L376 Y386 V409	F304-A388 HydrophobicContact CD1-CB 4.13Å; F304-A388 HydrophobicContact CD2-CB 3.92Å; F304-A388 HydrophobicContact CE1-CB 3.88Å; F304-A388 HydrophobicContact CE2-CB 3.65Å; F304-A388 HydrophobicContact CG-CB 4.16Å; F304-A388 HydrophobicContact CZ-CB 3.62Å; M310-A388 HydrophobicContact CE-CB 4.08Å; M310-A388 HydrophobicContact SD-CB 4.24Å; L356-A388 WeakPolarHBondContact CD2-O 3.31Å; L376-A388 PolarHBondContact O-N 2.03Å; Y386-A388 PolarHBondContact O-N 2.97Å; A388-V409 PolarHBondContact O-N 2.81Å; A388-V409 VanDerWaalsContact O-N 3.16Å
389	G	98.6	Very high	91.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	172.9	-179.2	0	0	0	0	0	115.1	L376 L387 T407	L376-G389 PolarHBondContact N-O 2.79Å; L376-G389 PolarHBondContact O-N 3.16Å; L376-G389 VanDerWaalsContact O-N 3.09Å; L387-G389 WeakPolarHBondContact CD1-O 3.01Å; G389-T407 CarbonylContact C-O 3.58Å; G389-T407 WeakPolarHBondContact CA-O 3.43Å
390	I	98.9	Very high	90.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	178.1	-58.3	160.5	0	0	0	107.5	V227 A229 I277 G374 S392 Y406 T407 V409	V227-I390 HydrophobicContact CG2-CD1 3.61Å; A229-I390 HydrophobicContact CB-CG2 4.24Å; I277-I390 HydrophobicContact CB-CD1 4.48Å; I277-I390 HydrophobicContact CD1-CD1 3.78Å; I277-I390 HydrophobicContact CG1-CD1 3.7Å; G374-I390 WeakPolarHBondContact O-CA 3.29Å; I390-S392 PolarHBondContact O-N 3.46Å; I390-Y406 CarbonylContact O-C 3.57Å; I390-Y406 WeakPolarHBondContact O-CA 3.03Å; I390-Y406 WeakPolarHBondContact O-CB 3.24Å; I390-T407 PolarHBondContact N-O 3.12Å; I390-T407 PolarHBondContact O-N 3.09Å; I390-V409 HydrophobicContact CD1-CG2 4.18Å; I390-V409 HydrophobicContact CG1-CG2 4.01Å
391	V	98.2	Very high	90.8	Very high	10 Å²	10	36.7 Å²	36.7	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	121.9	179.3	179.7	0	0	0	0	109.3	V312 A367 D371 G373 G374 Y406	V312-V391 HydrophobicContact CG2-CG2 3.66Å; A367-V391 HydrophobicContact CB-CG1 3.73Å; A367-V391 HydrophobicContact CB-CG2 4.1Å; D371-V391 HydrophobicContact CB-CG1 4.18Å; D371-V391 HydrophobicContact CB-CG2 4.44Å; D371-V391 WeakPolarHBondContact O-CB 3.27Å; G373-V391 PolarHBondContact N-O 2.91Å; G374-V391 WeakPolarHBondContact O-CG2 3.42Å; G374-V391 PolarHBondContact O-N 2.91Å; V391-Y406 HydrophobicContact CB-CD1 4.36Å; V391-Y406 HydrophobicContact CB-CE1 4.32Å; V391-Y406 HydrophobicContact CG2-CD1 3.99Å; V391-Y406 HydrophobicContact CG2-CE1 3.59Å
392	S	96.6	Very high	91	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-64	-172.2	-179.3	0	0	0	0	111.9	H231 D276 I390 V405	H231-S392 PolarHBondContact CE1-O 2.93Å; D276-S392 WeakPolarHBondContact CB-OG 3.25Å; D276-S392 WeakPolarHBondContact OD2-CB 3.1Å; D276-S392 PolarHBondContact OD2-OG 3.02Å; I390-S392 PolarHBondContact O-N 3.46Å; S392-V405 WeakPolarHBondContact CB-O 3.42Å; S392-V405 PolarHBondContact N-O 3.08Å; S392-V405 VanDerWaalsContact N-O 3.13Å
393	W	93.8	Very high	91.2	Very high	55 Å²	55	33.8 Å²	33.8	21%	0.208	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	173.1	-177.5	65.2	-76.9	0	0	0	112.6	H273 Y347 A350 I351 M355 V405	H273-W393 HydrophobicContact CB-CD2 4.36Å; H273-W393 HydrophobicContact CB-CG 3.93Å; H273-W393 AromaticContact CD2-CD2 3.74Å; H273-W393 AromaticContact CD2-CG 3.72Å; H273-W393 AromaticContact CG-CD1 3.52Å; H273-W393 AromaticContact CG-CG 3.59Å; H273-W393 AromaticContact CG-NE1 3.88Å; H273-W393 AromaticContact ND1-CG 3.93Å; Y347-W393 AromaticContact CD1-CH2 3.53Å; Y347-W393 HydrophobicContact CD1-CH2 3.53Å; Y347-W393 AromaticContact CD1-CZ3 3.63Å; Y347-W393 HydrophobicContact CD1-CZ3 3.63Å; Y347-W393 HydrophobicContact CE1-CE3 4.31Å; Y347-W393 AromaticContact CE1-CH2 3.78Å; Y347-W393 HydrophobicContact CE1-CH2 3.78Å; Y347-W393 AromaticContact CE1-CZ3 3.45Å; Y347-W393 HydrophobicContact CE1-CZ3 3.45Å; Y347-W393 VanDerWaalsContact CE1-CZ3 3.45Å; Y347-W393 HydrophobicContact CG-CH2 4.14Å; A350-W393 HydrophobicContact CB-CH2 4.41Å; I351-W393 HydrophobicContact CD1-CH2 4.16Å; I351-W393 HydrophobicContact CD1-CZ2 3.82Å; M355-W393 HydrophobicContact SD-CZ2 4.32Å; W393-V405 HydrophobicContact CD2-CB 4.02Å; W393-V405 HydrophobicContact CD2-CG1 4.46Å; W393-V405 HydrophobicContact CD2-CG2 4.15Å; W393-V405 HydrophobicContact CE3-CG2 4.44Å; W393-V405 HydrophobicContact CG-CB 4.16Å; W393-V405 HydrophobicContact CH2-CG2 4.18Å; W393-V405 HydrophobicContact CZ2-CB 4.17Å; W393-V405 HydrophobicContact CZ2-CG1 3.99Å; W393-V405 HydrophobicContact CZ2-CG2 3.87Å; W393-V405 HydrophobicContact CZ3-CG2 4.45Å; W393-V405 PolarHBondContact N-O 3.37Å; W393-V405 VanDerWaalsContact N-O 3.09Å; W393-V405 VanDerWaalsContact NE1-CG1 3.26Å; W393-V405 WeakPolarHBondContact O-CA 3.49Å; W393-V405 WeakPolarHBondContact O-CB 3.31Å; W393-V405 PolarHBondContact O-N 3.38Å; W393-V405 VanDerWaalsContact O-O 3.14Å
394	G	87.6	Confident	91.5	Very high	35 Å²	35	28.8 Å²	28.8	36%	0.361	16%	0.161	S	C	.	.			trans	-171.7	160.9	175.6	0	0	0	0	0	110.9	E396	G394-E396 PolarHBondContact O-N 3.33Å
395	D	84.4	Confident	91.7	Very high	57 Å²	57	28.3 Å²	28.3	31%	0.305	16%	0.159	S	C	.	.	S	Bend	trans	-85.3	93.9	170.4	178.6	-11	0	0	0	108.9	Y347 K399 K402	Y347-D395 HydrophobicContact CE1-CB 4.32Å; D395-K399 IonicContact OD1-NZ 2.78Å; D395-K399 PolarHBondContact OD1-NZ 2.83Å; D395-K402 HydrophobicContact CB-CB 4.07Å; D395-K402 HydrophobicContact CB-CD 3.84Å; D395-K402 HydrophobicContact CB-CG 3.9Å; D395-K402 WeakPolarHBondContact OD2-CE 3.39Å; D395-K402 IonicContact OD2-NZ 2.79Å; D395-K402 PolarHBondContact OD2-NZ 2.78Å
396	E	82	Confident	91.8	Very high	95 Å²	95	27.9 Å²	27.9	44%	0.444	16%	0.157	S	C	.	.	S	Bend	trans	55.3	-169.7	-168.3	-68.7	179.3	-141.5	0	0	112	N320 G394 K399	N320-E396 PolarHBondContact ND2-OE2 3.23Å; G394-E396 PolarHBondContact O-N 3.33Å; E396-K399 HydrophobicContact CB-CD 4.05Å; E396-K399 HydrophobicContact CB-CG 4.21Å; E396-K399 VanDerWaalsContact OE1-CE 3.24Å; E396-K399 WeakPolarHBondContact OE1-CE 2.92Å; E396-K399 IonicContact OE1-NZ 2.77Å; E396-K399 PolarHBondContact OE1-NZ 3.03Å; E396-K399 WeakPolarHBondContact OE2-CE 3.32Å; E396-K399 IonicContact OE2-NZ 2.61Å; E396-K399 PolarHBondContact OE2-NZ 2.77Å
397	C	78.4	Confident	91.8	Very high	21 Å²	21	27.9 Å²	27.9	14%	0.142	16%	0.158	C	C	.	.	S	Bend	trans	-105.8	128	-179.9	-48.7	0	0	0	0	110.4	N320 C368 K399	N320-C397 WeakPolarHBondContact OD1-CA 2.98Å; N320-C397 WeakPolarHBondContact OD1-CB 3.24Å; N320-C397 PolarHBondContact OD1-N 2.03Å; N320-C397 PolarHBondContact OD1-SG 2.82Å; C368-C397 WeakPolarHBondContact CA-SG 3.16Å; C368-C397 HydrophobicContact CB-CB 3.7Å; C368-C397 WeakPolarHBondContact CB-SG 3.48Å; C368-C397 WeakPolarHBondContact SG-CB 3.41Å; C368-C397 CovalentContact SG-SG 2.03Å; C368-C397 PolarHBondContact SG-SG 2.78Å; C397-K399 VanDerWaalsContact C-N 3.26Å; C397-K399 PolarHBondContact O-N 3.06Å
398	A	78.5	Confident	91.8	Very high	33 Å²	33	30.5 Å²	30.5	27%	0.273	17%	0.167	S	C	.	.	S	Bend	trans	63	25.3	169	0	0	0	0	0	115.5	G363 K364 D366	G363-A398 VanDerWaalsContact CA-O 3.23Å; G363-A398 WeakPolarHBondContact CA-O 3.25Å; K364-A398 PolarHBondContact N-O 3.29Å; D366-A398 HydrophobicContact CB-CB 3.87Å; D366-A398 VanDerWaalsContact CB-N 3.29Å; D366-A398 PolarHBondContact OD2-N 3.42Å
399	K	83.1	Confident	91.8	Very high	61 Å²	61	30.5 Å²	30.5	27%	0.265	17%	0.167	S	C	.	.			trans	-69	143.6	172.8	-90.3	-169.2	-174.8	160.8	0	112	D395 E396 C397 K402	D395-K399 IonicContact OD1-NZ 2.78Å; D395-K399 PolarHBondContact OD1-NZ 2.83Å; E396-K399 HydrophobicContact CB-CD 4.05Å; E396-K399 HydrophobicContact CB-CG 4.21Å; E396-K399 VanDerWaalsContact OE1-CE 3.24Å; E396-K399 WeakPolarHBondContact OE1-CE 2.92Å; E396-K399 IonicContact OE1-NZ 2.77Å; E396-K399 PolarHBondContact OE1-NZ 3.03Å; E396-K399 WeakPolarHBondContact OE2-CE 3.32Å; E396-K399 IonicContact OE2-NZ 2.61Å; E396-K399 PolarHBondContact OE2-NZ 2.77Å; C397-K399 VanDerWaalsContact C-N 3.26Å; C397-K399 PolarHBondContact O-N 3.06Å; K399-K402 HydrophobicContact CB-CB 3.82Å; K399-K402 HydrophobicContact CB-CG 4.06Å; K399-K402 HydrophobicContact CD-CG 4.42Å; K399-K402 PolarHBondContact O-N 3.44Å
400	P	87.2	Confident	91.8	Very high	86 Å²	86	31.2 Å²	31.2	56%	0.558	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	140.7	168.6	-23.2	34.3	0	0	0	111.7	L361 K402	L361-P400 WeakPolarHBondContact O-CA 3.36Å; P400-K402 PolarHBondContact O-N 2.88Å
401	N	89.4	Confident	91.8	Very high	72 Å²	72	33.7 Å²	33.7	39%	0.385	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	7.3	-178	-55.9	-33.8	0	0	0	116.1	A346 L361 P403	A346-N401 VanDerWaalsContact CA-O 3.31Å; A346-N401 WeakPolarHBondContact CA-O 3.43Å; A346-N401 WeakPolarHBondContact CB-O 3.42Å; L361-N401 PolarHBondContact O-N 2.68Å; N401-P403 VanDerWaalsContact C-CD 3.46Å; N401-P403 WeakPolarHBondContact O-CD 3.44Å
402	K	91.7	Very high	91.8	Very high	47 Å²	47	33.5 Å²	33.5	20%	0.204	19%	0.191	C	C	.	.			trans	-120.9	71.7	178.1	-58.8	-62.4	-175.9	160.8	0	109.6	A346 Y347 D395 K399 P400	A346-K402 PolarHBondContact O-NZ 2.83Å; Y347-K402 HydrophobicContact CE1-CD 4.31Å; D395-K402 HydrophobicContact CB-CB 4.07Å; D395-K402 HydrophobicContact CB-CD 3.84Å; D395-K402 HydrophobicContact CB-CG 3.9Å; D395-K402 WeakPolarHBondContact OD2-CE 3.39Å; D395-K402 IonicContact OD2-NZ 2.79Å; D395-K402 PolarHBondContact OD2-NZ 2.78Å; K399-K402 HydrophobicContact CB-CB 3.82Å; K399-K402 HydrophobicContact CB-CG 4.06Å; K399-K402 HydrophobicContact CD-CG 4.42Å; K399-K402 PolarHBondContact O-N 3.44Å; P400-K402 PolarHBondContact O-N 2.88Å
403	P	93.2	Very high	91.8	Very high	3 Å²	3	34 Å²	34	2%	0.019	19%	0.192	C	C	.	.			trans	-67.6	152.9	177.3	31	-35.4	0	0	0	110.6	I336 Y347 C357 L361 N401	I336-P403 HydrophobicContact CD1-CB 3.48Å; I336-P403 VanDerWaalsContact CD1-CB 3.48Å; I336-P403 HydrophobicContact CD1-CG 3.83Å; Y347-P403 HydrophobicContact CE2-CG 4.11Å; Y347-P403 VanDerWaalsContact CE2-O 3.25Å; Y347-P403 WeakPolarHBondContact CE2-O 3.49Å; Y347-P403 VanDerWaalsContact CZ-O 3.32Å; Y347-P403 PolarHBondContact OH-O 3.49Å; C357-P403 HydrophobicContact CB-CG 4.17Å; L361-P403 HydrophobicContact CD2-CG 4.43Å; N401-P403 VanDerWaalsContact C-CD 3.46Å; N401-P403 WeakPolarHBondContact O-CD 3.44Å
404	G	94.1	Very high	92	Very high	3 Å²	3	37 Å²	37	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.4	173.8	0	0	0	0	0	112.6	C357 A358 D366 Y406	C357-G404 WeakPolarHBondContact CA-O 3.33Å; A358-G404 PolarHBondContact N-O 2.79Å; A358-G404 VanDerWaalsContact N-O 3.07Å; A358-G404 PolarHBondContact O-N 3.25Å; D366-G404 WeakPolarHBondContact OD1-CA 3.34Å; D366-G404 PolarHBondContact OD1-N 2.78Å; D366-G404 VanDerWaalsContact OD1-N 3.11Å; G404-Y406 WeakPolarHBondContact O-CD2 3.28Å; G404-Y406 VanDerWaalsContact O-CE2 3.26Å; G404-Y406 WeakPolarHBondContact O-CE2 3.16Å
405	V	97.3	Very high	92.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.5	177.3	-172.1	0	0	0	0	109.4	Y347 I351 M355 S392 W393	Y347-V405 HydrophobicContact CD2-CG2 4.14Å; Y347-V405 HydrophobicContact CE1-CG2 4.28Å; Y347-V405 HydrophobicContact CE2-CG2 3.5Å; I351-V405 HydrophobicContact CD1-CB 4.44Å; I351-V405 HydrophobicContact CD1-CG1 3.88Å; I351-V405 HydrophobicContact CD1-CG2 3.64Å; M355-V405 HydrophobicContact CB-CG1 3.98Å; M355-V405 HydrophobicContact CG-CG1 4.16Å; M355-V405 HydrophobicContact SD-CG1 4.12Å; S392-V405 WeakPolarHBondContact CB-O 3.42Å; S392-V405 PolarHBondContact N-O 3.08Å; S392-V405 VanDerWaalsContact N-O 3.13Å; W393-V405 HydrophobicContact CD2-CB 4.02Å; W393-V405 HydrophobicContact CD2-CG1 4.46Å; W393-V405 HydrophobicContact CD2-CG2 4.15Å; W393-V405 HydrophobicContact CE3-CG2 4.44Å; W393-V405 HydrophobicContact CG-CB 4.16Å; W393-V405 HydrophobicContact CH2-CG2 4.18Å; W393-V405 HydrophobicContact CZ2-CB 4.17Å; W393-V405 HydrophobicContact CZ2-CG1 3.99Å; W393-V405 HydrophobicContact CZ2-CG2 3.87Å; W393-V405 HydrophobicContact CZ3-CG2 4.45Å; W393-V405 PolarHBondContact N-O 3.37Å; W393-V405 VanDerWaalsContact N-O 3.09Å; W393-V405 VanDerWaalsContact NE1-CG1 3.26Å; W393-V405 WeakPolarHBondContact O-CA 3.49Å; W393-V405 WeakPolarHBondContact O-CB 3.31Å; W393-V405 PolarHBondContact O-N 3.38Å; W393-V405 VanDerWaalsContact O-O 3.14Å
406	Y	98.6	Very high	93.3	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.3	-174.6	-57.2	-105.9	0	0	0	109.5	V312 M355 L356 A358 L376 I390 V391 G404 R408	V312-Y406 HydrophobicContact CB-CE1 4.47Å; V312-Y406 HydrophobicContact CG2-CE1 4.08Å; M355-Y406 CarbonylContact C-O 3.57Å; M355-Y406 VanDerWaalsContact CA-O 3.27Å; M355-Y406 WeakPolarHBondContact CA-O 3.46Å; L356-Y406 HydrophobicContact CD1-CD2 4.05Å; L356-Y406 HydrophobicContact CD1-CG 4.12Å; L356-Y406 PolarHBondContact N-O 2.95Å; L356-Y406 PolarHBondContact O-N 3.3Å; A358-Y406 HydrophobicContact CB-CD2 4.17Å; A358-Y406 HydrophobicContact CB-CE2 3.77Å; L376-Y406 HydrophobicContact CB-CD1 3.61Å; L376-Y406 HydrophobicContact CB-CE1 3.74Å; L376-Y406 HydrophobicContact CB-CG 4.38Å; L376-Y406 HydrophobicContact CD1-CE1 4.04Å; L376-Y406 HydrophobicContact CD2-CD1 3.91Å; L376-Y406 HydrophobicContact CD2-CD2 4.08Å; L376-Y406 HydrophobicContact CD2-CE1 4.15Å; L376-Y406 HydrophobicContact CD2-CE2 4.36Å; L376-Y406 HydrophobicContact CD2-CG 3.89Å; L376-Y406 HydrophobicContact CG-CD1 4.24Å; L376-Y406 HydrophobicContact CG-CE1 4.2Å; I390-Y406 CarbonylContact O-C 3.57Å; I390-Y406 WeakPolarHBondContact O-CA 3.03Å; I390-Y406 WeakPolarHBondContact O-CB 3.24Å; V391-Y406 HydrophobicContact CB-CD1 4.36Å; V391-Y406 HydrophobicContact CB-CE1 4.32Å; V391-Y406 HydrophobicContact CG2-CD1 3.99Å; V391-Y406 HydrophobicContact CG2-CE1 3.59Å; G404-Y406 WeakPolarHBondContact O-CD2 3.28Å; G404-Y406 VanDerWaalsContact O-CE2 3.26Å; G404-Y406 WeakPolarHBondContact O-CE2 3.16Å; Y406-R408 PolarHBondContact O-N 3.1Å
407	T	98.8	Very high	94	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	128.2	167.7	-60.5	0	0	0	0	109.1	D276 I277 G389 I390 V409 L412	D276-T407 PolarHBondContact O-OG1 3.41Å; I277-T407 HydrophobicContact CB-CG2 4.24Å; G389-T407 CarbonylContact C-O 3.58Å; G389-T407 WeakPolarHBondContact CA-O 3.43Å; I390-T407 PolarHBondContact N-O 3.12Å; I390-T407 PolarHBondContact O-N 3.09Å; T407-V409 PolarHBondContact O-N 2.89Å; T407-L412 HydrophobicContact CG2-CD1 3.42Å; T407-L412 VanDerWaalsContact CG2-CD1 3.42Å
408	R	98.7	Very high	94.9	Very high	55 Å²	55	34.5 Å²	34.5	21%	0.208	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.5	179.2	-178.9	-177.1	-61	-94.2	1.2	110.2	P353 R354 M355 L356 Y406 T410 A411	P353-R408 WeakPolarHBondContact O-CD 3.36Å; P353-R408 PolarHBondContact O-NE 3.39Å; R354-R408 WeakPolarHBondContact O-CB 3.4Å; R354-R408 PolarHBondContact O-N 3.44Å; M355-R408 PolarHBondContact O-NE 2.69Å; M355-R408 VanDerWaalsContact O-NE 3.1Å; M355-R408 PolarHBondContact O-NH2 3.32Å; L356-R408 HydrophobicContact CD2-CB 4.02Å; L356-R408 HydrophobicContact CD2-CG 4.14Å; Y406-R408 PolarHBondContact O-N 3.1Å; R408-T410 WeakPolarHBondContact CG-OG1 3.41Å; R408-T410 PolarHBondContact O-N 2.79Å; R408-A411 HydrophobicContact CB-CB 4.23Å; R408-A411 HydrophobicContact CG-CB 4.05Å; R408-A411 PolarHBondContact O-N 2.84Å
409	V	98.7	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.8	-174.8	172.3	0	0	0	0	111.9	L297 P298 L387 A388 I390 T407 A411 L412 R413 I416	L297-V409 HydrophobicContact CD2-CG1 4.06Å; P298-V409 HydrophobicContact CG-CG1 4.11Å; L387-V409 HydrophobicContact CD2-CG2 4.03Å; L387-V409 HydrophobicContact CG-CG2 3.8Å; L387-V409 WeakPolarHBondContact O-CB 3.2Å; L387-V409 WeakPolarHBondContact O-CG1 3.25Å; A388-V409 PolarHBondContact O-N 2.81Å; A388-V409 VanDerWaalsContact O-N 3.16Å; I390-V409 HydrophobicContact CD1-CG2 4.18Å; I390-V409 HydrophobicContact CG1-CG2 4.01Å; T407-V409 PolarHBondContact O-N 2.89Å; V409-A411 VanDerWaalsContact C-N 3.29Å; V409-A411 PolarHBondContact O-N 3.45Å; V409-L412 CarbonylContact O-C 3.24Å; V409-L412 PolarHBondContact O-N 2.94Å; V409-R413 WeakPolarHBondContact O-CA 3.45Å; V409-R413 PolarHBondContact O-N 2.87Å; V409-I416 HydrophobicContact CG1-CD1 4.26Å
410	T	98.2	Very high	96.6	Very high	15 Å²	15	34.6 Å²	34.6	9%	0.092	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.9	-37.9	179.8	54.5	0	0	0	0	112.3	P298 Y302 F304 R408 L412 R413	P298-T410 HydrophobicContact CB-CG2 3.95Å; P298-T410 HydrophobicContact CG-CG2 3.69Å; Y302-T410 WeakPolarHBondContact O-CG2 3.08Å; F304-T410 HydrophobicContact CD2-CG2 4.49Å; F304-T410 HydrophobicContact CE2-CG2 4.05Å; R408-T410 WeakPolarHBondContact CG-OG1 3.41Å; R408-T410 PolarHBondContact O-N 2.79Å; T410-L412 PolarHBondContact O-N 3.49Å; T410-R413 WeakPolarHBondContact O-CB 3.46Å; T410-R413 PolarHBondContact O-N 2.82Å
411	A	98.5	Very high	97	Very high	51 Å²	51	33.7 Å²	33.7	42%	0.421	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.6	-18	176.2	0	0	0	0	0	113.9	R408 V409	R408-A411 HydrophobicContact CB-CB 4.23Å; R408-A411 HydrophobicContact CG-CB 4.05Å; R408-A411 PolarHBondContact O-N 2.84Å; V409-A411 VanDerWaalsContact C-N 3.29Å; V409-A411 PolarHBondContact O-N 3.45Å
412	L	98.6	Very high	97.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-120.9	14.6	-179	-59.2	175.1	0	0	0	112	Y275 I277 R354 T407 V409 T410 D414 W415 I416	Y275-L412 HydrophobicContact CD1-CD2 3.7Å; Y275-L412 HydrophobicContact CE1-CD2 3.93Å; I277-L412 HydrophobicContact CB-CD1 4Å; I277-L412 HydrophobicContact CD1-CB 4.11Å; I277-L412 HydrophobicContact CD1-CD1 4.27Å; I277-L412 HydrophobicContact CG2-CD1 3.62Å; R354-L412 HydrophobicContact CG-CD2 4.13Å; T407-L412 HydrophobicContact CG2-CD1 3.42Å; T407-L412 VanDerWaalsContact CG2-CD1 3.42Å; V409-L412 CarbonylContact O-C 3.24Å; V409-L412 PolarHBondContact O-N 2.94Å; T410-L412 PolarHBondContact O-N 3.49Å; L412-D414 PolarHBondContact O-N 3.43Å; L412-W415 WeakPolarHBondContact O-CB 3.18Å; L412-W415 PolarHBondContact O-N 2.77Å; L412-I416 PolarHBondContact O-N 2.82Å; L412-I416 VanDerWaalsContact O-N 3.15Å
413	R	98	Very high	97.4	Very high	16 Å²	16	31.8 Å²	31.8	6%	0.06	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-44.2	-175.6	175.8	59.4	-176.8	103.1	-1.4	112.1	P298 A300 V409 T410 W415 I416 T417 I422	P298-R413 WeakPolarHBondContact O-CD 3.32Å; P298-R413 VanDerWaalsContact O-CG 3.29Å; P298-R413 WeakPolarHBondContact O-CG 3.36Å; P298-R413 PolarHBondContact O-NE 2.92Å; P298-R413 VanDerWaalsContact O-NE 3.14Å; A300-R413 HydrophobicContact CB-CB 4.07Å; A300-R413 HydrophobicContact CB-CG 4.37Å; V409-R413 WeakPolarHBondContact O-CA 3.45Å; V409-R413 PolarHBondContact O-N 2.87Å; T410-R413 WeakPolarHBondContact O-CB 3.46Å; T410-R413 PolarHBondContact O-N 2.82Å; R413-W415 VanDerWaalsContact C-N 3.28Å; R413-W415 PolarHBondContact O-N 2.79Å; R413-I416 WeakPolarHBondContact O-CB 3.47Å; R413-I416 PolarHBondContact O-N 3.23Å; R413-T417 PolarHBondContact NH1-OG1 3.23Å; R413-T417 PolarHBondContact O-N 3.35Å; R413-T417 VanDerWaalsContact O-N 3.13Å; R413-T417 PolarHBondContact O-OG1 3.05Å; R413-I422 PolarHBondContact NH1-O 3.39Å; R413-I422 PolarHBondContact NH2-O 3.19Å; R413-I422 PolarHBondContact NH2-OXT 3.32Å
414	D	97.9	Very high	97.7	Very high	117 Å²	117	33.3 Å²	33.3	63%	0.626	20%	0.203	S	C	*	.	H	α-helix	trans	-67.7	-32.1	179.2	-63.8	-26.6	0	0	0	111.7	L412 T417 S418	L412-D414 PolarHBondContact O-N 3.43Å; D414-T417 PolarHBondContact O-N 3.03Å; D414-S418 WeakPolarHBondContact O-CB 3.4Å; D414-S418 PolarHBondContact O-N 2.65Å
415	W	98.7	Very high	97.9	Very high	25 Å²	25	34.9 Å²	34.9	10%	0.095	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-44.1	173.8	179.4	87.3	0	0	0	110.7	I263 H265 E266 I277 L279 L412 R413 T417 S418 K419	I263-W415 HydrophobicContact CG2-CH2 4.44Å; I263-W415 HydrophobicContact CG2-CZ2 4.08Å; H265-W415 VanDerWaalsContact CA-CZ2 3.5Å; H265-W415 HydrophobicContact CB-CH2 4.34Å; H265-W415 HydrophobicContact CB-CZ2 3.92Å; H265-W415 AromaticContact CD2-CD1 3.45Å; H265-W415 VanDerWaalsContact CD2-CD1 3.45Å; H265-W415 AromaticContact CD2-CD2 3.46Å; H265-W415 VanDerWaalsContact CD2-CD2 3.46Å; H265-W415 AromaticContact CD2-CE2 3.41Å; H265-W415 VanDerWaalsContact CD2-CE2 3.41Å; H265-W415 AromaticContact CD2-CG 3.52Å; H265-W415 AromaticContact CD2-NE1 3.35Å; H265-W415 PolarHBondContact CD2-NE1 3.28Å; H265-W415 AromaticContact CG-CE2 3.97Å; H265-W415 AromaticContact CG-NE1 3.93Å; H265-W415 AromaticContact NE2-CD1 3.46Å; H265-W415 AromaticContact NE2-CG 3.74Å; H265-W415 AromaticContact NE2-NE1 3.74Å; E266-W415 PolarHBondContact OE2-NE1 2.9Å; I277-W415 HydrophobicContact CB-CZ3 4.37Å; I277-W415 HydrophobicContact CD1-CE3 4.14Å; I277-W415 HydrophobicContact CD1-CZ3 4.03Å; I277-W415 HydrophobicContact CG1-CE3 4.43Å; I277-W415 HydrophobicContact CG1-CZ3 3.88Å; I277-W415 HydrophobicContact CG2-CE3 3.88Å; I277-W415 HydrophobicContact CG2-CH2 4.13Å; I277-W415 HydrophobicContact CG2-CZ3 3.67Å; L279-W415 HydrophobicContact CD1-CE3 4.37Å; L279-W415 HydrophobicContact CD1-CH2 3.92Å; L279-W415 HydrophobicContact CD1-CZ3 3.72Å; L279-W415 HydrophobicContact CG-CH2 4.01Å; L279-W415 HydrophobicContact CG-CZ3 3.77Å; L412-W415 WeakPolarHBondContact O-CB 3.18Å; L412-W415 PolarHBondContact O-N 2.77Å; R413-W415 VanDerWaalsContact C-N 3.28Å; R413-W415 PolarHBondContact O-N 2.79Å; W415-T417 VanDerWaalsContact C-N 3.31Å; W415-T417 PolarHBondContact O-N 3.09Å; W415-S418 PolarHBondContact O-N 3.16Å; W415-S418 PolarHBondContact O-OG 3.17Å; W415-K419 HydrophobicContact CD2-CG 4.36Å; W415-K419 HydrophobicContact CZ2-CG 4.15Å; W415-K419 WeakPolarHBondContact O-CG 3.48Å; W415-K419 PolarHBondContact O-N 2.9Å
416	I	98.6	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-47.2	173.6	-62.1	170.7	0	0	0	110.4	I221 V227 I277 L279 L297 V409 L412 R413 S418 K419 T420	I221-I416 HydrophobicContact CD1-CG2 3.97Å; V227-I416 HydrophobicContact CG2-CD1 4.5Å; I277-I416 HydrophobicContact CD1-CD1 4.06Å; I277-I416 HydrophobicContact CD1-CG1 4.06Å; L279-I416 HydrophobicContact CD2-CG2 4.31Å; L297-I416 HydrophobicContact CD1-CD1 4.46Å; L297-I416 HydrophobicContact CD1-CG2 3.85Å; L297-I416 HydrophobicContact CD2-CD1 4.18Å; V409-I416 HydrophobicContact CG1-CD1 4.26Å; L412-I416 PolarHBondContact O-N 2.82Å; L412-I416 VanDerWaalsContact O-N 3.15Å; R413-I416 WeakPolarHBondContact O-CB 3.47Å; R413-I416 PolarHBondContact O-N 3.23Å; I416-S418 PolarHBondContact O-N 3.03Å; I416-K419 PolarHBondContact O-N 3.03Å; I416-T420 WeakPolarHBondContact O-CB 3.15Å; I416-T420 PolarHBondContact O-N 3.04Å; I416-T420 VanDerWaalsContact O-N 3.12Å; I416-T420 PolarHBondContact O-OG1 3.21Å
417	T	97.6	Very high	97.9	Very high	50 Å²	50	39.2 Å²	39.2	31%	0.307	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-46.3	176.7	-59.9	0	0	0	0	111.7	R413 D414 W415 K419 T420 G421 I422	R413-T417 PolarHBondContact NH1-OG1 3.23Å; R413-T417 PolarHBondContact O-N 3.35Å; R413-T417 VanDerWaalsContact O-N 3.13Å; R413-T417 PolarHBondContact O-OG1 3.05Å; D414-T417 PolarHBondContact O-N 3.03Å; W415-T417 VanDerWaalsContact C-N 3.31Å; W415-T417 PolarHBondContact O-N 3.09Å; T417-K419 PolarHBondContact O-N 3.4Å; T417-K419 VanDerWaalsContact O-N 3.09Å; T417-T420 PolarHBondContact O-N 3.26Å; T417-G421 WeakPolarHBondContact O-CA 3.38Å; T417-G421 PolarHBondContact O-N 3Å; T417-I422 VanDerWaalsContact CA-O 3.26Å; T417-I422 WeakPolarHBondContact CA-O 3.34Å; T417-I422 VanDerWaalsContact CB-O 3.31Å; T417-I422 WeakPolarHBondContact CB-O 3.39Å; T417-I422 PolarHBondContact OG1-O 2.78Å
418	S	98.4	Very high	97.8	Very high	80 Å²	80	41.7 Å²	41.7	56%	0.559	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-26.2	-178	80.3	0	0	0	0	113.8	D414 W415 I416	D414-S418 WeakPolarHBondContact O-CB 3.4Å; D414-S418 PolarHBondContact O-N 2.65Å; W415-S418 PolarHBondContact O-N 3.16Å; W415-S418 PolarHBondContact O-OG 3.17Å; I416-S418 PolarHBondContact O-N 3.03Å
419	K	98.4	Very high	97.7	Very high	68 Å²	68	40.8 Å²	40.8	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-97	-24.8	-177.8	-60.1	-49.7	179.7	-174.2	0	114	I263 E266 L279 W415 I416 T417	I263-K419 HydrophobicContact CD1-CB 4.32Å; I263-K419 HydrophobicContact CG2-CD 4.42Å; I263-K419 HydrophobicContact CG2-CG 4.4Å; E266-K419 WeakPolarHBondContact OE1-CE 3.45Å; E266-K419 IonicContact OE1-NZ 2.61Å; E266-K419 PolarHBondContact OE1-NZ 2.9Å; L279-K419 HydrophobicContact CD1-CB 3.51Å; L279-K419 HydrophobicContact CD1-CG 4.03Å; W415-K419 HydrophobicContact CD2-CG 4.36Å; W415-K419 HydrophobicContact CZ2-CG 4.15Å; W415-K419 WeakPolarHBondContact O-CG 3.48Å; W415-K419 PolarHBondContact O-N 2.9Å; I416-K419 PolarHBondContact O-N 3.03Å; T417-K419 PolarHBondContact O-N 3.4Å; T417-K419 VanDerWaalsContact O-N 3.09Å
420	T	97.5	Very high	97.7	Very high	28 Å²	28	43.9 Å²	43.9	17%	0.172	28%	0.277	C	S	.	.	H	α-helix	trans	-124.9	-20.5	-167.7	65.8	0	0	0	0	114.6	W225 L279 I416 T417 I422	W225-T420 HydrophobicContact CD2-CG2 3.66Å; W225-T420 HydrophobicContact CE3-CG2 3.93Å; W225-T420 HydrophobicContact CG-CG2 4.06Å; W225-T420 HydrophobicContact CH2-CG2 4.26Å; W225-T420 HydrophobicContact CZ2-CG2 4.04Å; W225-T420 HydrophobicContact CZ3-CG2 4.22Å; L279-T420 HydrophobicContact CD1-CG2 3.63Å; L279-T420 HydrophobicContact CD2-CG2 4.22Å; L279-T420 HydrophobicContact CG-CG2 4.47Å; I416-T420 WeakPolarHBondContact O-CB 3.15Å; I416-T420 PolarHBondContact O-N 3.04Å; I416-T420 VanDerWaalsContact O-N 3.12Å; I416-T420 PolarHBondContact O-OG1 3.21Å; T417-T420 PolarHBondContact O-N 3.26Å; T420-I422 HydrophobicContact CG2-CD1 4.32Å; T420-I422 PolarHBondContact O-N 3.34Å; T420-I422 WeakPolarHBondContact OG1-CB 3.32Å; T420-I422 WeakPolarHBondContact OG1-CD1 3.18Å; T420-I422 WeakPolarHBondContact OG1-CG1 3.46Å; T420-I422 PolarHBondContact OG1-N 2.57Å
421	G	95.3	Very high	97.6	Very high	68 Å²	68	46.3 Å²	46.3	70%	0.701	29%	0.292	S	S	*	.			trans	74.3	6.1	-169.6	0	0	0	0	0	114.5	T417	T417-G421 WeakPolarHBondContact O-CA 3.38Å; T417-G421 PolarHBondContact O-N 3Å
422	I	93.7	Very high	97.5	Very high	46 Å²	46	45.9 Å²	45.9	24%	0.236	28%	0.281	C	S	.	.			trans	-84.3	0	179.4	-56.2	162.9	0	0	0	111.2	I221 N222 W225 L297 R413 T417 T420	I221-I422 HydrophobicContact CD1-CD1 4.13Å; I221-I422 HydrophobicContact CG1-CD1 4.35Å; N222-I422 HydrophobicContact CB-CD1 3.42Å; N222-I422 VanDerWaalsContact CB-CD1 3.42Å; N222-I422 HydrophobicContact CB-CG1 4.25Å; W225-I422 HydrophobicContact CB-CD1 4.07Å; W225-I422 HydrophobicContact CG-CD1 4.14Å; L297-I422 HydrophobicContact CD1-CG2 3.97Å; R413-I422 PolarHBondContact NH1-O 3.39Å; R413-I422 PolarHBondContact NH2-O 3.19Å; R413-I422 PolarHBondContact NH2-OXT 3.32Å; T417-I422 VanDerWaalsContact CA-O 3.26Å; T417-I422 WeakPolarHBondContact CA-O 3.34Å; T417-I422 VanDerWaalsContact CB-O 3.31Å; T417-I422 WeakPolarHBondContact CB-O 3.39Å; T417-I422 PolarHBondContact OG1-O 2.78Å; T420-I422 HydrophobicContact CG2-CD1 4.32Å; T420-I422 PolarHBondContact O-N 3.34Å; T420-I422 WeakPolarHBondContact OG1-CB 3.32Å; T420-I422 WeakPolarHBondContact OG1-CD1 3.18Å; T420-I422 WeakPolarHBondContact OG1-CG1 3.46Å; T420-I422 PolarHBondContact OG1-N 2.57Å

Retrieved 422 of 422 residues in 328.3 ms (Link to these results)

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