A0A096MXC9_PAPAN Loading...

Metalloproteinase inhibitor 4

AlphaFold DB (A0A0D9RBU8), UniProt , Accession A0A096MXC9, Species PAPAN (Papio anubis, Olive baboon), Gene TIMP4, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	57.5	Low	240 Å²	240	134.9 Å²	134.9	100%	1.182	78%	0.784	S	S	*	*				0	88	0	-69.3	-80.6	-175.1	0	0	108.9
2	P	45	Very low	58.8	Low	128 Å²	128	127.1 Å²	127.1	83%	0.831	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-95.2	129.2	170.2	14.4	4.3	0	0	0	110.3
3	G	48.5	Very low	60	Low	76 Å²	76	125.7 Å²	125.7	78%	0.784	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-66.5	149.4	-175.9	0	0	0	0	0	114.3
4	S	48.7	Very low	61	Low	110 Å²	110	123.7 Å²	123.7	77%	0.769	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-63.7	133.3	174.1	52.6	0	0	0	0	111.6
5	P	54	Low	61.8	Low	125 Å²	125	120.9 Å²	120.9	81%	0.812	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-73.7	130.9	173.6	28.2	-27.7	0	0	0	109.8
6	R	62.5	Low	62.4	Low	236 Å²	236	125.4 Å²	125.4	89%	0.891	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-65.6	138.3	171.4	-68.4	179.2	178.3	-179.2	-0.9	109.1	A8	R6-A8 PolarHBondContact O-N 2.91Å
7	P	59.5	Low	62.9	Low	126 Å²	126	123.7 Å²	123.7	82%	0.818	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-67.5	122.2	177.7	27.1	-31.5	0	0	0	109.6
8	A	64.1	Low	63.2	Low	88 Å²	88	123.3 Å²	123.3	73%	0.727	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-66.3	138.6	170.1	0	0	0	0	0	109.2	R6 S10	R6-A8 PolarHBondContact O-N 2.91Å; A8-S10 PolarHBondContact O-N 2.69Å
9	P	59.8	Low	63.2	Low	98 Å²	98	120.7 Å²	120.7	64%	0.636	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60.9	125	175.9	25.7	-31.6	0	0	0	108.7	W11	P9-W11 PolarHBondContact O-N 3.15Å
10	S	74.9	Confident	63.2	Low	64 Å²	64	122.1 Å²	122.1	45%	0.448	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-55	129.3	178.1	174.8	0	0	0	0	109.2	A8 A12 L13	A8-S10 PolarHBondContact O-N 2.69Å; S10-A12 PolarHBondContact O-N 3.37Å; S10-A12 PolarHBondContact OG-N 2.82Å; S10-L13 WeakPolarHBondContact O-CB 3.2Å; S10-L13 PolarHBondContact O-N 2.97Å
11	W	69.9	Low	63.1	Low	193 Å²	193	122.3 Å²	122.3	73%	0.731	68%	0.684	S	S	*	*	H	α-helix	trans	-52.7	-24.7	177.5	95.9	-57.3	0	0	0	112.4	P9 L14 L15	P9-W11 PolarHBondContact O-N 3.15Å; W11-L14 PolarHBondContact O-N 2.84Å; W11-L15 HydrophobicContact CD2-CD1 3.57Å; W11-L15 HydrophobicContact CD2-CG 4.48Å; W11-L15 HydrophobicContact CE3-CD1 3.51Å; W11-L15 HydrophobicContact CE3-CG 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.38Å; W11-L15 HydrophobicContact CH2-CD1 3.56Å; W11-L15 HydrophobicContact CZ2-CD1 3.6Å; W11-L15 HydrophobicContact CZ3-CD1 3.53Å; W11-L15 HydrophobicContact CZ3-CG 4.42Å; W11-L15 WeakPolarHBondContact O-CG 3.32Å; W11-L15 PolarHBondContact O-N 2.93Å
12	A	73.3	Confident	63.7	Low	41 Å²	41	120.9 Å²	120.9	34%	0.339	67%	0.666	S	S	.	*	H	α-helix	trans	-67.5	-32.7	176.5	0	0	0	0	0	112.8	S10 R16	S10-A12 PolarHBondContact O-N 3.37Å; S10-A12 PolarHBondContact OG-N 2.82Å; A12-R16 WeakPolarHBondContact O-CB 3.32Å; A12-R16 VanDerWaalsContact O-CG 3.25Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.36Å
13	L	73.9	Confident	64.3	Low	109 Å²	109	119.2 Å²	119.2	57%	0.571	66%	0.655	S	S	*	*	H	α-helix	trans	-69.5	-43.4	172.9	-97	128.2	0	0	0	110.7	S10 R16 L17	S10-L13 WeakPolarHBondContact O-CB 3.2Å; S10-L13 PolarHBondContact O-N 2.97Å; L13-R16 PolarHBondContact O-N 2.84Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.06Å
14	L	73.8	Confident	64.6	Low	98 Å²	98	121.4 Å²	121.4	51%	0.513	66%	0.656	S	S	.	*	H	α-helix	trans	-62.1	-44.2	176.5	-77.4	160.3	0	0	0	111.8	W11 L17 L18	W11-L14 PolarHBondContact O-N 2.84Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CD1 3.32Å; L14-L18 PolarHBondContact O-N 3.43Å
15	L	74	Confident	64.7	Low	82 Å²	82	119.4 Å²	119.4	43%	0.429	65%	0.652	S	S	.	*	H	α-helix	trans	-65.1	-38.3	175.8	-73.7	170	0	0	0	112.9	W11 L18 A19	W11-L15 HydrophobicContact CD2-CD1 3.57Å; W11-L15 HydrophobicContact CD2-CG 4.48Å; W11-L15 HydrophobicContact CE3-CD1 3.51Å; W11-L15 HydrophobicContact CE3-CG 4.23Å; W11-L15 HydrophobicContact CG-CD1 4.38Å; W11-L15 HydrophobicContact CH2-CD1 3.56Å; W11-L15 HydrophobicContact CZ2-CD1 3.6Å; W11-L15 HydrophobicContact CZ3-CD1 3.53Å; W11-L15 HydrophobicContact CZ3-CG 4.42Å; W11-L15 WeakPolarHBondContact O-CG 3.32Å; W11-L15 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 3.17Å; L15-A19 PolarHBondContact O-N 3.27Å
16	R	71.1	Confident	64.3	Low	192 Å²	192	121.6 Å²	121.6	73%	0.725	66%	0.656	S	S	*	*	H	α-helix	trans	-66.3	-39.1	175	-78.9	-177.3	-179.8	-159.8	1.5	112.2	A12 L13 A19 L20	A12-R16 WeakPolarHBondContact O-CB 3.32Å; A12-R16 VanDerWaalsContact O-CG 3.25Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.36Å; L13-R16 PolarHBondContact O-N 2.84Å; R16-A19 PolarHBondContact O-N 3.41Å; R16-L20 PolarHBondContact O-N 3.11Å
17	L	71.2	Confident	64.1	Low	97 Å²	97	113.4 Å²	113.4	51%	0.508	65%	0.646	S	S	.	*	H	α-helix	trans	-64.8	-41.9	173	-94	127.5	0	0	0	111.8	L13 L14 A19 L20 L21	L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 2.85Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 2.92Å; L17-L21 WeakPolarHBondContact O-CD1 3.38Å; L17-L21 PolarHBondContact O-N 3.17Å
18	L	67.4	Low	64.1	Low	117 Å²	117	116.1 Å²	116.1	61%	0.613	65%	0.647	S	S	*	*	H	α-helix	trans	-63.6	-35.4	175.7	-85.4	151.7	0	0	0	113.1	L14 L15 L20 L21 R22	L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CD1 3.32Å; L14-L18 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 3.17Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 3Å; L18-R22 PolarHBondContact O-N 3.41Å
19	A	63.3	Low	64.9	Low	74 Å²	74	115.7 Å²	115.7	61%	0.612	64%	0.644	S	S	*	*	H	α-helix	trans	-68.7	-31.5	175.5	0	0	0	0	0	113	L15 R16 L17	L15-A19 PolarHBondContact O-N 3.27Å; R16-A19 PolarHBondContact O-N 3.41Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.32Å
20	L	64.6	Low	66.4	Low	148 Å²	148	112.4 Å²	112.4	78%	0.775	62%	0.623	S	S	*	*	H	α-helix	trans	-78.1	-22.4	174	-74.2	161.7	0	0	0	112.9	R16 L17 L18 R22	R16-L20 PolarHBondContact O-N 3.11Å; L17-L20 PolarHBondContact O-N 2.92Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L20-R22 VanDerWaalsContact C-N 3.29Å
21	L	60.3	Low	67.3	Low	126 Å²	126	114.7 Å²	114.7	66%	0.66	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	4.7	174.1	-96.6	88.8	0	0	0	113.6	L17 L18 P23	L17-L21 WeakPolarHBondContact O-CD1 3.38Å; L17-L21 PolarHBondContact O-N 3.17Å; L18-L21 PolarHBondContact O-N 3Å; L21-P23 WeakPolarHBondContact O-CD 3.24Å
22	R	57.9	Low	68.4	Low	210 Å²	210	107.7 Å²	107.7	79%	0.792	62%	0.619	S	S	*	*	S	Bend	trans	-62.8	113.5	170.9	-149.5	175.4	-167	165.7	2.3	106.2	L18 L20	L18-R22 PolarHBondContact O-N 3.41Å; L20-R22 VanDerWaalsContact C-N 3.29Å
23	P	57.5	Low	69.3	Low	94 Å²	94	110 Å²	110	61%	0.61	64%	0.637	S	S	*	*			trans	-53.7	133.4	174.9	22.1	-30.7	0	0	0	106.3	L21 G25	L21-P23 WeakPolarHBondContact O-CD 3.24Å; P23-G25 PolarHBondContact O-N 3.47Å
24	P	54.8	Low	70.2	Confident	122 Å²	122	106.4 Å²	106.4	79%	0.792	62%	0.621	S	S	*	*			trans	-47.9	125.8	168.8	21.7	-30.8	0	0	0	105.5	L26	P24-L26 PolarHBondContact O-N 3.28Å
25	G	50.1	Low	71.2	Confident	68 Å²	68	102.4 Å²	102.4	70%	0.701	60%	0.602	S	S	*	*			trans	-43.4	131.1	-170.3	0	0	0	0	0	108.9	P23 G27	P23-G25 PolarHBondContact O-N 3.47Å; G25-G27 PolarHBondContact O-N 2.81Å
26	L	47	Very low	72.4	Confident	170 Å²	170	98.5 Å²	98.5	89%	0.89	58%	0.582	S	S	*	*			trans	-50.6	101.8	168.3	-78.9	124.8	0	0	0	105.5	P24 E28	P24-L26 PolarHBondContact O-N 3.28Å; L26-E28 PolarHBondContact O-N 2.87Å
27	G	57.4	Low	73.6	Confident	65 Å²	65	89.4 Å²	89.4	67%	0.67	55%	0.548	S	S	*	.			trans	-56.7	127.3	173.4	0	0	0	0	0	105.4	G25 A29	G25-G27 PolarHBondContact O-N 2.81Å; G27-A29 PolarHBondContact O-N 3.02Å
28	E	59.2	Low	74.9	Confident	183 Å²	183	84.9 Å²	84.9	86%	0.855	52%	0.524	S	S	*	.			trans	-55.8	109.4	172.2	-69.6	-165.9	153.8	0	0	107	L26	L26-E28 PolarHBondContact O-N 2.87Å
29	A	81.8	Confident	76.3	Confident	78 Å²	78	81 Å²	81	65%	0.645	50%	0.502	S	S	*	.			trans	-71.5	147.6	170.9	0	0	0	0	0	107.8	G27 S31	G27-A29 PolarHBondContact O-N 3.02Å; A29-S31 PolarHBondContact O-N 2.93Å
30	C	91.2	Very high	78	Confident	30 Å²	30	78.3 Å²	78.3	20%	0.203	48%	0.477	C	S	.	.			trans	-56.6	124.6	172.4	179.4	0	0	0	0	110.3	S100 C102 L130	C30-S100 PolarHBondContact N-O 2.64Å; C30-C102 HydrophobicContact CB-CB 3.91Å; C30-C102 WeakPolarHBondContact CB-SG 3.23Å; C30-C102 WeakPolarHBondContact SG-CA 3.43Å; C30-C102 WeakPolarHBondContact SG-CB 3.25Å; C30-C102 CovalentContact SG-SG 2.02Å; C30-C102 PolarHBondContact SG-SG 2.77Å; C30-L130 HydrophobicContact CB-CD2 4.22Å
31	S	92.8	Very high	79.6	Confident	112 Å²	112	71.4 Å²	71.4	78%	0.783	44%	0.441	S	S	*	.			trans	-125.1	132.2	175.5	-174.4	0	0	0	0	109.7	A29	A29-S31 PolarHBondContact O-N 2.93Å
32	C	93.2	Very high	81.3	Confident	46 Å²	46	66.4 Å²	66.4	31%	0.311	42%	0.416	S	S	.	.			trans	-116.2	131.3	-175.6	-58	0	0	0	0	110.2	C131	C32-C131 VanDerWaalsContact CA-SG 3.51Å; C32-C131 HydrophobicContact CB-CB 3.58Å; C32-C131 WeakPolarHBondContact CB-SG 3.43Å; C32-C131 WeakPolarHBondContact SG-CA 3.44Å; C32-C131 WeakPolarHBondContact SG-CB 3.27Å; C32-C131 PolarHBondContact SG-N 2.85Å; C32-C131 VanDerWaalsContact SG-N 3.44Å; C32-C131 CovalentContact SG-SG 2.03Å; C32-C131 PolarHBondContact SG-SG 3.36Å
33	A	92.5	Very high	83.2	Confident	88 Å²	88	63 Å²	63	73%	0.727	41%	0.409	S	S	*	.			trans	-67.6	127.6	166.3	0	0	0	0	0	108.6
34	P	92.4	Very high	85.1	Confident	34 Å²	34	58.8 Å²	58.8	22%	0.221	38%	0.382	C	S	.	.			trans	-72.3	143.5	-179.1	32.2	-36.4	0	0	0	110.3	Y164 L187	P34-Y164 WeakPolarHBondContact CD-OH 3.24Å; P34-Y164 HydrophobicContact CG-CE1 4.27Å; P34-Y164 WeakPolarHBondContact CG-OH 3.49Å; P34-L187 HydrophobicContact CB-CD1 3.51Å; P34-L187 HydrophobicContact CB-CD2 3.56Å; P34-L187 HydrophobicContact CB-CG 4.09Å; P34-L187 HydrophobicContact CG-CD1 4.19Å; P34-L187 HydrophobicContact CG-CD2 3.8Å
35	A	96.3	Very high	87.1	Confident	15 Å²	15	53.1 Å²	53.1	12%	0.124	35%	0.346	C	S	.	.			trans	-140.6	148.6	179.3	0	0	0	0	0	110.1	Q39 H40	A35-Q39 HydrophobicContact CB-CB 3.98Å; A35-H40 PolarHBondContact O-CD2 2.95Å; A35-H40 VanDerWaalsContact O-CD2 3.29Å; A35-H40 PolarHBondContact O-NE2 2.82Å
36	H	97.6	Very high	89.3	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.313	C	S	.	.			trans	-65	148.7	174	-176.4	-92.3	0	0	0	109.9	Q38 Q39 H40 I160 W178 A192 Y195 W207	H36-Q38 VanDerWaalsContact ND1-CB 3.27Å; H36-Q38 WeakPolarHBondContact ND1-CB 2.89Å; H36-Q38 PolarHBondContact ND1-N 2.77Å; H36-Q38 VanDerWaalsContact ND1-N 3.14Å; H36-Q38 PolarHBondContact O-N 3.49Å; H36-Q38 VanDerWaalsContact O-N 3.09Å; H36-Q39 HydrophobicContact CB-CG 4.35Å; H36-Q39 WeakPolarHBondContact O-CA 3.45Å; H36-Q39 WeakPolarHBondContact O-CB 3.3Å; H36-Q39 PolarHBondContact O-N 2.82Å; H36-H40 PolarHBondContact O-N 2.76Å; H36-H40 VanDerWaalsContact O-N 3.14Å; H36-I160 HydrophobicContact CB-CD1 3.98Å; H36-I160 HydrophobicContact CB-CG2 3.98Å; H36-W178 HydrophobicContact CB-CD2 4.37Å; H36-W178 HydrophobicContact CB-CE3 4.37Å; H36-A192 WeakPolarHBondContact NE2-CA 3.13Å; H36-Y195 PolarHBondContact CE1-O 2.95Å; H36-W207 AromaticContact CD2-CH2 3.72Å; H36-W207 AromaticContact CE1-CZ3 3.92Å; H36-W207 AromaticContact NE2-CH2 3.65Å; H36-W207 AromaticContact NE2-CZ3 3.74Å
37	P	97.6	Very high	91.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-48.9	-41.2	178	-31.7	37	0	0	0	113.8	Q39 H40 I41 Y133 Y188 A192	P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 PolarHBondContact O-N 2.91Å; P37-H40 PolarHBondContact O-N 3.44Å; P37-I41 VanDerWaalsContact O-CG1 3.27Å; P37-I41 WeakPolarHBondContact O-CG1 3.45Å; P37-I41 PolarHBondContact O-N 2.87Å; P37-Y133 HydrophobicContact CB-CD1 4.47Å; P37-Y133 HydrophobicContact CB-CE1 3.93Å; P37-Y133 HydrophobicContact CB-CE2 4.4Å; P37-Y133 HydrophobicContact CG-CE1 4.33Å; P37-Y133 HydrophobicContact CG-CE2 4.04Å; P37-Y188 HydrophobicContact CG-CD1 4.36Å; P37-Y188 HydrophobicContact CG-CE1 4.47Å; P37-A192 HydrophobicContact CG-CB 4.42Å
38	Q	97.8	Very high	93.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-54.8	-45	172.9	-176	169.3	-16.8	0	0	113.1	H36 I41 C42 Y152 N155 I160 V196 C197	H36-Q38 VanDerWaalsContact ND1-CB 3.27Å; H36-Q38 WeakPolarHBondContact ND1-CB 2.89Å; H36-Q38 PolarHBondContact ND1-N 2.77Å; H36-Q38 VanDerWaalsContact ND1-N 3.14Å; H36-Q38 PolarHBondContact O-N 3.49Å; H36-Q38 VanDerWaalsContact O-N 3.09Å; Q38-I41 PolarHBondContact O-N 3.43Å; Q38-C42 WeakPolarHBondContact O-CB 3.2Å; Q38-C42 PolarHBondContact O-N 2.97Å; Q38-C42 PolarHBondContact O-SG 2.96Å; Q38-Y152 HydrophobicContact CB-CD1 3.41Å; Q38-Y152 VanDerWaalsContact CB-CD1 3.41Å; Q38-Y152 HydrophobicContact CB-CE1 3.7Å; Q38-Y152 HydrophobicContact CB-CG 4.21Å; Q38-Y152 HydrophobicContact CG-CD1 3.59Å; Q38-Y152 HydrophobicContact CG-CE1 4.33Å; Q38-Y152 HydrophobicContact CG-CG 4.29Å; Q38-N155 PolarHBondContact NE2-O 2.94Å; Q38-N155 VanDerWaalsContact NE2-O 3.08Å; Q38-I160 HydrophobicContact CB-CD1 3.86Å; Q38-I160 HydrophobicContact CG-CD1 4.13Å; Q38-V196 VanDerWaalsContact OE1-CG1 3.3Å; Q38-C197 PolarHBondContact NE2-O 3.27Å
39	Q	97.9	Very high	95.5	Very high	34 Å²	34	32.6 Å²	32.6	16%	0.159	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-41.7	179.1	-67.7	175.1	-71.2	0	0	111.3	A35 H36 P37 I41 C42 H43 I160	A35-Q39 HydrophobicContact CB-CB 3.98Å; H36-Q39 HydrophobicContact CB-CG 4.35Å; H36-Q39 WeakPolarHBondContact O-CA 3.45Å; H36-Q39 WeakPolarHBondContact O-CB 3.3Å; H36-Q39 PolarHBondContact O-N 2.82Å; P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 PolarHBondContact O-N 2.91Å; Q39-I41 VanDerWaalsContact C-N 3.31Å; Q39-I41 PolarHBondContact O-N 3.01Å; Q39-C42 PolarHBondContact O-N 3.26Å; Q39-H43 WeakPolarHBondContact O-CB 3.43Å; Q39-H43 PolarHBondContact O-N 3.36Å; Q39-H43 PolarHBondContact O-ND1 2.77Å; Q39-I160 HydrophobicContact CG-CB 3.97Å; Q39-I160 HydrophobicContact CG-CD1 4.1Å; Q39-I160 HydrophobicContact CG-CG1 4.45Å; Q39-I160 PolarHBondContact NE2-O 2.94Å
40	H	97.7	Very high	96.3	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-44	175	-74.1	-75.6	0	0	0	111.7	A35 H36 P37 S44 C131 Y133 Y188	A35-H40 PolarHBondContact O-CD2 2.95Å; A35-H40 VanDerWaalsContact O-CD2 3.29Å; A35-H40 PolarHBondContact O-NE2 2.82Å; H36-H40 PolarHBondContact O-N 2.76Å; H36-H40 VanDerWaalsContact O-N 3.14Å; P37-H40 PolarHBondContact O-N 3.44Å; H40-S44 VanDerWaalsContact O-CB 3.22Å; H40-S44 WeakPolarHBondContact O-CB 3.43Å; H40-S44 PolarHBondContact O-N 2.85Å; H40-S44 PolarHBondContact O-OG 3.08Å; H40-C131 PolarHBondContact CE1-O 2.89Å; H40-C131 PolarHBondContact ND1-O 2.95Å; H40-Y133 VanDerWaalsContact CB-CB 3.46Å; H40-Y133 HydrophobicContact CB-CG 4.2Å; H40-Y188 PolarHBondContact NE2-OH 3.03Å
41	I	97.6	Very high	96.6	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.3	-63.1	-65.7	0	0	0	111.6	P37 Q38 Q39 V47 K82 T117 L148 Y152	P37-I41 VanDerWaalsContact O-CG1 3.27Å; P37-I41 WeakPolarHBondContact O-CG1 3.45Å; P37-I41 PolarHBondContact O-N 2.87Å; Q38-I41 PolarHBondContact O-N 3.43Å; Q39-I41 VanDerWaalsContact C-N 3.31Å; Q39-I41 PolarHBondContact O-N 3.01Å; I41-V47 HydrophobicContact CD1-CB 4.17Å; I41-V47 HydrophobicContact CD1-CG1 3.43Å; I41-V47 VanDerWaalsContact CD1-CG1 3.43Å; I41-V47 HydrophobicContact CD1-CG2 3.61Å; I41-V47 HydrophobicContact CG2-CG2 4.28Å; I41-K82 PolarHBondContact O-NZ 3.4Å; I41-T117 HydrophobicContact CD1-CG2 3.78Å; I41-L148 HydrophobicContact CD1-CD2 3.48Å; I41-L148 VanDerWaalsContact CD1-CD2 3.48Å; I41-L148 HydrophobicContact CG1-CD2 4.11Å; I41-Y152 HydrophobicContact CB-CD2 4.48Å; I41-Y152 HydrophobicContact CG1-CD2 3.97Å
42	C	97.2	Very high	96.9	Very high	21 Å²	21	24.3 Å²	24.3	14%	0.142	14%	0.139	C	C	.	.	H	α-helix	trans	-67.9	-42.5	179.5	-70.4	0	0	0	0	113.1	Q38 Q39 K82 C156	Q38-C42 WeakPolarHBondContact O-CB 3.2Å; Q38-C42 PolarHBondContact O-N 2.97Å; Q38-C42 PolarHBondContact O-SG 2.96Å; Q39-C42 PolarHBondContact O-N 3.26Å; C42-K82 PolarHBondContact O-NZ 3.05Å; C42-C156 WeakPolarHBondContact CA-SG 3.3Å; C42-C156 HydrophobicContact CB-CB 3.72Å; C42-C156 WeakPolarHBondContact CB-SG 3.45Å; C42-C156 WeakPolarHBondContact SG-CA 2.98Å; C42-C156 WeakPolarHBondContact SG-CB 3.41Å; C42-C156 CovalentContact SG-SG 2.04Å; C42-C156 PolarHBondContact SG-SG 3.2Å
43	H	96.8	Very high	97.1	Very high	137 Å²	137	24.2 Å²	24.2	63%	0.634	14%	0.139	S	C	*	.	H	α-helix	trans	-85.4	-12.7	-177.2	-59	155.4	0	0	0	114.1	Q39 Q119	Q39-H43 WeakPolarHBondContact O-CB 3.43Å; Q39-H43 PolarHBondContact O-N 3.36Å; Q39-H43 PolarHBondContact O-ND1 2.77Å; H43-Q119 PolarHBondContact O-NE2 3.13Å
44	S	97.4	Very high	97.3	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.042	12%	0.118	C	C	.	.			trans	-80.4	141.4	177	-61.9	0	0	0	0	111.7	H40 L46 K82 T117	H40-S44 VanDerWaalsContact O-CB 3.22Å; H40-S44 WeakPolarHBondContact O-CB 3.43Å; H40-S44 PolarHBondContact O-N 2.85Å; H40-S44 PolarHBondContact O-OG 3.08Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 WeakPolarHBondContact CB-O 3.3Å; S44-K82 WeakPolarHBondContact O-CE 3.23Å; S44-K82 PolarHBondContact O-NZ 3.21Å; S44-T117 WeakPolarHBondContact OG-CB 3.41Å; S44-T117 PolarHBondContact OG-OG1 2.8Å; S44-T117 VanDerWaalsContact OG-OG1 3.14Å
45	A	96.8	Very high	97.6	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	13%	0.126	C	C	.	.	S	Bend	trans	-75.5	-27.3	172.5	0	0	0	0	0	112.3	G83 K86 G118 V120	A45-G83 VanDerWaalsContact O-CA 3.3Å; A45-G83 WeakPolarHBondContact O-CA 3.25Å; A45-K86 HydrophobicContact CB-CD 3.85Å; A45-K86 VanDerWaalsContact CB-NZ 3.32Å; A45-G118 PolarHBondContact N-O 3.46Å; A45-V120 HydrophobicContact CB-CB 4.49Å; A45-V120 HydrophobicContact CB-CG2 4.18Å
46	L	97.3	Very high	97.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.1	-175.8	-176.2	82.6	0	0	0	109.7	S44 I48 M80 K82 V90 T117 G118 V120 V126	S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 WeakPolarHBondContact CB-O 3.3Å; L46-I48 HydrophobicContact CD1-CG2 3.95Å; L46-I48 HydrophobicContact CD2-CD1 4.18Å; L46-I48 HydrophobicContact CD2-CG1 4.37Å; L46-I48 HydrophobicContact CD2-CG2 4.18Å; L46-I48 HydrophobicContact CG-CG2 3.95Å; L46-M80 HydrophobicContact CD1-CE 3.89Å; L46-M80 HydrophobicContact CD1-SD 4.28Å; L46-K82 WeakPolarHBondContact CA-O 3.37Å; L46-V90 HydrophobicContact CD1-CG2 3.96Å; L46-V90 HydrophobicContact CD2-CG1 4.49Å; L46-V90 HydrophobicContact CD2-CG2 3.9Å; L46-T117 WeakPolarHBondContact O-CA 3.3Å; L46-G118 PolarHBondContact N-O 2.94Å; L46-G118 PolarHBondContact O-N 3.23Å; L46-V120 HydrophobicContact CB-CG2 4.15Å; L46-V126 HydrophobicContact CD2-CB 4.21Å; L46-V126 HydrophobicContact CD2-CG1 3.35Å; L46-V126 HydrophobicContact CD2-CG2 3.77Å
47	V	98.1	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118	170	-178.9	0	0	0	0	108.6	I41 F81 K82 L115 L116 T117 L148	I41-V47 HydrophobicContact CD1-CB 4.17Å; I41-V47 HydrophobicContact CD1-CG1 3.43Å; I41-V47 VanDerWaalsContact CD1-CG1 3.43Å; I41-V47 HydrophobicContact CD1-CG2 3.61Å; I41-V47 HydrophobicContact CG2-CG2 4.28Å; V47-F81 HydrophobicContact CB-CB 4.17Å; V47-F81 HydrophobicContact CG1-CB 3.94Å; V47-F81 HydrophobicContact CG1-CD2 4.01Å; V47-F81 HydrophobicContact CG1-CG 4.39Å; V47-F81 PolarHBondContact O-N 2.96Å; V47-K82 HydrophobicContact CB-CB 3.93Å; V47-K82 HydrophobicContact CG2-CB 3.9Å; V47-K82 HydrophobicContact CG2-CD 4.31Å; V47-K82 PolarHBondContact N-O 2.99Å; V47-K82 PolarHBondContact O-N 3.22Å; V47-L115 HydrophobicContact CG1-CD1 3.72Å; V47-L116 WeakPolarHBondContact CA-O 3.38Å; V47-T117 HydrophobicContact CG1-CG2 4.33Å; V47-T117 HydrophobicContact CG2-CG2 4.09Å; V47-L148 HydrophobicContact CG1-CD2 4.16Å
48	I	98	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.3	-178	60.6	174.2	0	0	0	111.8	L46 A50 I75 K79 M80 V90 L115 L116	L46-I48 HydrophobicContact CD1-CG2 3.95Å; L46-I48 HydrophobicContact CD2-CD1 4.18Å; L46-I48 HydrophobicContact CD2-CG1 4.37Å; L46-I48 HydrophobicContact CD2-CG2 4.18Å; L46-I48 HydrophobicContact CG-CG2 3.95Å; I48-A50 HydrophobicContact CD1-CB 4.19Å; I48-I75 HydrophobicContact CD1-CD1 3.45Å; I48-I75 VanDerWaalsContact CD1-CD1 3.45Å; I48-K79 CarbonylContact C-O 3.53Å; I48-K79 VanDerWaalsContact CA-O 3.3Å; I48-K79 WeakPolarHBondContact CA-O 3.48Å; I48-M80 HydrophobicContact CG2-CB 4.03Å; I48-M80 HydrophobicContact CG2-CE 4.2Å; I48-M80 HydrophobicContact CG2-CG 3.95Å; I48-V90 HydrophobicContact CD1-CB 4.24Å; I48-V90 HydrophobicContact CD1-CG1 4.17Å; I48-L115 WeakPolarHBondContact O-CA 3.27Å; I48-L116 HydrophobicContact CD1-CD1 4.31Å; I48-L116 HydrophobicContact CG1-CB 3.95Å; I48-L116 HydrophobicContact CG1-CD1 4.38Å; I48-L116 PolarHBondContact N-O 2.73Å; I48-L116 PolarHBondContact O-N 3.08Å
49	R	98.3	Very high	97.3	Very high	53 Å²	53	38 Å²	38	20%	0.2	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.6	160.4	179.5	-176.1	179.1	172.5	2.5	107.9	I78 K79 F81 Y114 W137	R49-I78 HydrophobicContact CG-CB 4.23Å; R49-I78 HydrophobicContact CG-CD1 4.33Å; R49-I78 WeakPolarHBondContact O-CA 3.4Å; R49-I78 WeakPolarHBondContact O-CB 3.31Å; R49-I78 PolarHBondContact O-N 2.99Å; R49-K79 HydrophobicContact CB-CB 4.37Å; R49-K79 PolarHBondContact N-O 3.37Å; R49-K79 PolarHBondContact O-N 2.91Å; R49-K79 VanDerWaalsContact O-N 3.15Å; R49-F81 HydrophobicContact CB-CE2 3.91Å; R49-Y114 CarbonylContact C-O 3.56Å; R49-Y114 VanDerWaalsContact CA-O 3.27Å; R49-Y114 WeakPolarHBondContact CA-O 3.49Å; R49-W137 HydrophobicContact CB-CE3 4.18Å; R49-W137 HydrophobicContact CB-CZ3 4.21Å; R49-W137 HydrophobicContact CG-CD2 4.13Å; R49-W137 HydrophobicContact CG-CE3 3.74Å; R49-W137 HydrophobicContact CG-CZ3 4.19Å; R49-W137 VanDerWaalsContact CZ-CD1 3.43Å; R49-W137 VanDerWaalsContact NH1-CZ2 3.34Å
50	A	98.2	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.5	-176.7	0	0	0	0	0	113	I48 I75 K76 Q113 Y114 L116	I48-A50 HydrophobicContact CD1-CB 4.19Å; A50-I75 HydrophobicContact CB-CB 4.22Å; A50-I75 HydrophobicContact CB-CD1 3.63Å; A50-K76 WeakPolarHBondContact CA-O 3.36Å; A50-Q113 WeakPolarHBondContact O-CA 3.42Å; A50-Y114 PolarHBondContact N-O 3.14Å; A50-Y114 PolarHBondContact O-N 3.38Å; A50-L116 HydrophobicContact CB-CD1 4.09Å
51	K	98.2	Very high	96.4	Very high	43 Å²	43	39.3 Å²	39.3	19%	0.187	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.2	169.6	-119.7	168.6	-174.6	179.5	0	109.8	I75 K76 Q111 K112 Q113	K51-I75 CarbonylContact O-C 3.59Å; K51-I75 VanDerWaalsContact O-CA 3.24Å; K51-I75 WeakPolarHBondContact O-CA 3.43Å; K51-I75 WeakPolarHBondContact O-CB 3.5Å; K51-K76 HydrophobicContact CB-CB 4.25Å; K51-K76 PolarHBondContact N-O 2.88Å; K51-K76 PolarHBondContact O-N 2.81Å; K51-Q111 WeakPolarHBondContact CE-O 3.26Å; K51-Q111 PolarHBondContact NZ-O 3.06Å; K51-K112 WeakPolarHBondContact CG-O 3.36Å; K51-Q113 HydrophobicContact CD-CG 4.23Å; K51-Q113 HydrophobicContact CG-CG 4.02Å
52	I	98.3	Very high	95.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.3	178.6	-48.6	-53.4	0	0	0	108.9	Y73 I75 I93 L106 A108 N109 Y114 L116	I52-Y73 HydrophobicContact CG2-CD1 3.41Å; I52-Y73 VanDerWaalsContact CG2-CD1 3.41Å; I52-Y73 HydrophobicContact CG2-CE1 4.1Å; I52-Y73 HydrophobicContact CG2-CG 4.1Å; I52-I75 HydrophobicContact CD1-CG2 3.57Å; I52-I93 HydrophobicContact CD1-CD1 4.31Å; I52-L106 HydrophobicContact CD1-CB 4.47Å; I52-L106 HydrophobicContact CD1-CD1 3.75Å; I52-L106 HydrophobicContact CG1-CB 3.91Å; I52-L106 HydrophobicContact CG1-CD1 4.11Å; I52-A108 HydrophobicContact CG2-CB 3.91Å; I52-N109 PolarHBondContact O-N 3.03Å; I52-Y114 HydrophobicContact CG1-CD2 3.94Å; I52-Y114 HydrophobicContact CG1-CE2 4.09Å; I52-L116 HydrophobicContact CD1-CD1 4.38Å
53	S	97.4	Very high	95.5	Very high	44 Å²	44	47.6 Å²	47.6	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-60.7	-179.5	-58.9	0	0	0	0	110.1	E74 N109	S53-E74 WeakPolarHBondContact CB-O 3.46Å; S53-E74 PolarHBondContact N-O 3.12Å; S53-N109 PolarHBondContact O-N 2.85Å; S53-N109 VanDerWaalsContact O-N 3.17Å; S53-N109 PolarHBondContact O-ND2 2.84Å; S53-N109 PolarHBondContact O-OD1 3.39Å
54	S	97.3	Very high	94.9	Very high	40 Å²	40	47.2 Å²	47.2	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.1	-174.6	74.4	0	0	0	0	112	Y73 E74	S54-Y73 VanDerWaalsContact O-CA 3.31Å; S54-Y73 WeakPolarHBondContact O-CA 3.49Å; S54-E74 PolarHBondContact N-O 3Å; S54-E74 PolarHBondContact O-N 3.28Å; S54-E74 VanDerWaalsContact OG-CB 3.24Å; S54-E74 WeakPolarHBondContact OG-CB 3.4Å; S54-E74 PolarHBondContact OG-OE2 3.28Å
55	E	97.1	Very high	94.6	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.393	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.5	175.4	-177	179.1	145.8	0	0	109.2	L71 Y73 A108	E55-L71 HydrophobicContact CG-CD2 3.98Å; E55-L71 WeakPolarHBondContact OE1-CD2 3.44Å; E55-Y73 HydrophobicContact CB-CD1 3.82Å; E55-Y73 HydrophobicContact CB-CE1 3.56Å; E55-Y73 VanDerWaalsContact CD-OH 3.31Å; E55-Y73 HydrophobicContact CG-CD1 3.99Å; E55-Y73 HydrophobicContact CG-CE1 3.45Å; E55-Y73 VanDerWaalsContact CG-CE1 3.45Å; E55-Y73 WeakPolarHBondContact OE2-CE1 3.26Å; E55-Y73 PolarHBondContact OE2-OH 3.28Å; E55-A108 HydrophobicContact CB-CB 4.36Å
56	K	97.4	Very high	94.2	Very high	123 Å²	123	53.1 Å²	53.1	54%	0.535	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	135.1	173.6	-173.8	174.6	-178.6	177.7	0	110.9	V58 R72	K56-V58 HydrophobicContact CD-CG1 4.41Å; K56-V58 HydrophobicContact CG-CG1 4.21Å; K56-R72 PolarHBondContact N-O 3.25Å; K56-R72 PolarHBondContact O-N 2.87Å
57	V	96.9	Very high	93.9	Very high	68 Å²	68	59 Å²	59	41%	0.412	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.7	168.5	-168.4	0	0	0	0	109.1	K69 M70 L71 F97	V57-K69 HydrophobicContact CG1-CB 3.96Å; V57-K69 HydrophobicContact CG1-CD 4.01Å; V57-K69 HydrophobicContact CG1-CG 4.28Å; V57-M70 WeakPolarHBondContact CA-O 3.44Å; V57-L71 HydrophobicContact CG2-CD2 3.88Å; V57-F97 HydrophobicContact CG1-CD2 3.96Å; V57-F97 HydrophobicContact CG1-CE2 4.22Å; V57-F97 HydrophobicContact CG2-CD2 4.03Å; V57-F97 HydrophobicContact CG2-CE2 3.68Å
58	V	95.8	Very high	93.5	Very high	23 Å²	23	64.6 Å²	64.6	14%	0.139	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153	179.3	-61.7	0	0	0	0	109.9	K56 M70 R72 Y94	K56-V58 HydrophobicContact CD-CG1 4.41Å; K56-V58 HydrophobicContact CG-CG1 4.21Å; V58-M70 HydrophobicContact CG2-CB 4.05Å; V58-M70 PolarHBondContact N-O 2.96Å; V58-M70 PolarHBondContact O-N 2.86Å; V58-R72 HydrophobicContact CG1-CB 4.09Å; V58-R72 HydrophobicContact CG2-CB 3.96Å; V58-Y94 HydrophobicContact CG2-CD1 4.43Å; V58-Y94 HydrophobicContact CG2-CE1 4.37Å
59	P	93.8	Very high	93.3	Very high	93 Å²	93	70.7 Å²	70.7	60%	0.604	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.2	171.4	29.6	-35.4	0	0	0	110.2	S61	P59-S61 WeakPolarHBondContact CB-O 3.15Å
60	A	88.9	Confident	93.2	Very high	30 Å²	30	69.6 Å²	69.6	25%	0.248	41%	0.412	C	S	.	.	S	Bend	trans	-69.8	-38.9	179.5	0	0	0	0	0	112	E68 M70	A60-E68 HydrophobicContact CB-CB 3.71Å; A60-E68 WeakPolarHBondContact CB-O 3.41Å; A60-E68 PolarHBondContact N-O 2.83Å; A60-M70 HydrophobicContact CB-CG 3.79Å; A60-M70 HydrophobicContact CB-SD 4.17Å
61	S	87.3	Confident	93.1	Very high	48 Å²	48	69.7 Å²	69.7	34%	0.336	41%	0.412	S	S	.	.	S	Bend	trans	-125.3	173.3	174.2	84.6	0	0	0	0	112.9	P59 D63 D66	P59-S61 WeakPolarHBondContact CB-O 3.15Å; S61-D63 VanDerWaalsContact C-N 3.28Å; S61-D63 WeakPolarHBondContact OG-CB 3.46Å; S61-D63 PolarHBondContact OG-N 3.39Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; S61-D66 WeakPolarHBondContact CB-OD2 3.5Å; S61-D66 PolarHBondContact N-OD2 3.06Å; S61-D66 VanDerWaalsContact OG-CB 3.23Å; S61-D66 WeakPolarHBondContact OG-CB 3.47Å; S61-D66 PolarHBondContact OG-OD2 2.83Å
62	A	86.6	Confident	93.1	Very high	106 Å²	106	70.8 Å²	70.8	88%	0.876	42%	0.415	S	S	*	.	S	Bend	trans	-82.7	-7.7	173	0	0	0	0	0	112.7	P64	A62-P64 WeakPolarHBondContact O-CD 3.4Å
63	D	89.3	Confident	93.1	Very high	94 Å²	94	70.7 Å²	70.7	50%	0.503	42%	0.415	S	S	.	.			trans	-72.8	120.1	178.8	-172.2	-15.5	0	0	0	109.4	S61 A65 D66	S61-D63 VanDerWaalsContact C-N 3.28Å; S61-D63 WeakPolarHBondContact OG-CB 3.46Å; S61-D63 PolarHBondContact OG-N 3.39Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; D63-A65 PolarHBondContact O-N 3.46Å; D63-A65 WeakPolarHBondContact OD1-CB 3.2Å; D63-A65 PolarHBondContact OD1-N 3.36Å; D63-D66 HydrophobicContact CB-CB 4.13Å; D63-D66 WeakPolarHBondContact O-CB 3.32Å; D63-D66 PolarHBondContact O-N 2.97Å
64	P	85.4	Confident	93.1	Very high	129 Å²	129	72.4 Å²	72.4	84%	0.838	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.9	178.1	-8.7	19.1	0	0	0	113.8	A62 D66	A62-P64 WeakPolarHBondContact O-CD 3.4Å; P64-D66 VanDerWaalsContact C-N 3.29Å
65	A	90.2	Very high	93.2	Very high	83 Å²	83	71.1 Å²	71.1	69%	0.686	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-19	175.6	0	0	0	0	0	112.4	D63 T67	D63-A65 PolarHBondContact O-N 3.46Å; D63-A65 WeakPolarHBondContact OD1-CB 3.2Å; D63-A65 PolarHBondContact OD1-N 3.36Å; A65-T67 PolarHBondContact O-N 2.96Å
66	D	89.1	Confident	93.2	Very high	50 Å²	50	74 Å²	74	27%	0.267	42%	0.419	S	S	.	.			trans	-80	112.4	177.2	-178.2	10.4	0	0	0	110.5	S61 D63 P64 E68	S61-D66 WeakPolarHBondContact CB-OD2 3.5Å; S61-D66 PolarHBondContact N-OD2 3.06Å; S61-D66 VanDerWaalsContact OG-CB 3.23Å; S61-D66 WeakPolarHBondContact OG-CB 3.47Å; S61-D66 PolarHBondContact OG-OD2 2.83Å; D63-D66 HydrophobicContact CB-CB 4.13Å; D63-D66 WeakPolarHBondContact O-CB 3.32Å; D63-D66 PolarHBondContact O-N 2.97Å; P64-D66 VanDerWaalsContact C-N 3.29Å; D66-E68 VanDerWaalsContact C-N 3.34Å; D66-E68 VanDerWaalsContact OD1-CB 3.25Å; D66-E68 WeakPolarHBondContact OD1-CB 3.16Å; D66-E68 WeakPolarHBondContact OD1-CG 3.11Å; D66-E68 PolarHBondContact OD1-N 3.01Å
67	T	89.5	Confident	93.2	Very high	126 Å²	126	70.6 Å²	70.6	77%	0.773	41%	0.405	S	S	*	.			trans	-88.5	-3.6	179.4	59.5	0	0	0	0	113.3	A65	A65-T67 PolarHBondContact O-N 2.96Å
68	E	89.9	Confident	93.2	Very high	118 Å²	118	71 Å²	71	55%	0.551	40%	0.404	S	S	*	.			trans	-66.5	140.4	-178.6	-67.2	-170.6	177	0	0	111.5	A60 D66	A60-E68 HydrophobicContact CB-CB 3.71Å; A60-E68 WeakPolarHBondContact CB-O 3.41Å; A60-E68 PolarHBondContact N-O 2.83Å; D66-E68 VanDerWaalsContact C-N 3.34Å; D66-E68 VanDerWaalsContact OD1-CB 3.25Å; D66-E68 WeakPolarHBondContact OD1-CB 3.16Å; D66-E68 WeakPolarHBondContact OD1-CG 3.11Å; D66-E68 PolarHBondContact OD1-N 3.01Å
69	K	94.2	Very high	93.2	Very high	127 Å²	127	74.3 Å²	74.3	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.3	-177.6	-63.9	177.3	-173.4	174	0	109.6	V57 F97	V57-K69 HydrophobicContact CG1-CB 3.96Å; V57-K69 HydrophobicContact CG1-CD 4.01Å; V57-K69 HydrophobicContact CG1-CG 4.28Å; K69-F97 HydrophobicContact CB-CB 3.86Å; K69-F97 HydrophobicContact CB-CG 4.2Å; K69-F97 WeakPolarHBondContact O-CB 3.31Å; K69-F97 PolarHBondContact O-N 2.85Å; K69-F97 VanDerWaalsContact O-N 3.12Å
70	M	95.7	Very high	93.4	Very high	31 Å²	31	70.4 Å²	70.4	15%	0.153	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.2	170.8	-59.2	-174.4	85.9	0	0	110	V57 V58 A60 T95 F127	V57-M70 WeakPolarHBondContact CA-O 3.44Å; V58-M70 HydrophobicContact CG2-CB 4.05Å; V58-M70 PolarHBondContact N-O 2.96Å; V58-M70 PolarHBondContact O-N 2.86Å; A60-M70 HydrophobicContact CB-CG 3.79Å; A60-M70 HydrophobicContact CB-SD 4.17Å; M70-T95 CarbonylContact C-O 3.6Å; M70-T95 WeakPolarHBondContact CA-O 3.42Å; M70-T95 WeakPolarHBondContact CB-O 3.31Å; M70-F127 HydrophobicContact CE-CD2 3.64Å; M70-F127 HydrophobicContact CE-CE2 3.44Å; M70-F127 VanDerWaalsContact CE-CE2 3.44Å
71	L	97.1	Very high	93.8	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	161.2	-68.1	174.2	0	0	0	108.8	E55 V57 Y73 Y94 T95 F97	E55-L71 HydrophobicContact CG-CD2 3.98Å; E55-L71 WeakPolarHBondContact OE1-CD2 3.44Å; V57-L71 HydrophobicContact CG2-CD2 3.88Å; L71-Y73 HydrophobicContact CB-CE2 4.08Å; L71-Y73 HydrophobicContact CD1-CE2 4.5Å; L71-Y94 WeakPolarHBondContact O-CA 3.42Å; L71-T95 HydrophobicContact CB-CG2 3.75Å; L71-T95 HydrophobicContact CD1-CG2 4.48Å; L71-T95 PolarHBondContact N-O 3.19Å; L71-T95 PolarHBondContact O-N 3.42Å; L71-F97 HydrophobicContact CD1-CD2 4.46Å; L71-F97 HydrophobicContact CD2-CD2 3.6Å; L71-F97 HydrophobicContact CD2-CE2 4Å; L71-F97 HydrophobicContact CG-CD2 3.84Å
72	R	97.9	Very high	94.2	Very high	67 Å²	67	69.5 Å²	69.5	25%	0.253	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.9	169	-174.4	-176.5	71	175.7	8.2	108.5	K56 V58 Y92 I93 Y94	K56-R72 PolarHBondContact N-O 3.25Å; K56-R72 PolarHBondContact O-N 2.87Å; V58-R72 HydrophobicContact CG1-CB 4.09Å; V58-R72 HydrophobicContact CG2-CB 3.96Å; R72-Y92 HydrophobicContact CG-CD1 4.19Å; R72-Y92 HydrophobicContact CG-CG 4.43Å; R72-I93 WeakPolarHBondContact CA-O 3.27Å; R72-Y94 HydrophobicContact CB-CD1 4.03Å; R72-Y94 HydrophobicContact CB-CE1 3.94Å; R72-Y94 WeakPolarHBondContact CD-OH 3.35Å; R72-Y94 HydrophobicContact CG-CD1 4.01Å; R72-Y94 HydrophobicContact CG-CE1 3.59Å; R72-Y94 HydrophobicContact CG-CE2 4.37Å
73	Y	98.4	Very high	94.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.5	172	-68.2	-76.8	0	0	0	109.9	I52 S54 E55 L71 Y92 I93 T95 L106	I52-Y73 HydrophobicContact CG2-CD1 3.41Å; I52-Y73 VanDerWaalsContact CG2-CD1 3.41Å; I52-Y73 HydrophobicContact CG2-CE1 4.1Å; I52-Y73 HydrophobicContact CG2-CG 4.1Å; S54-Y73 VanDerWaalsContact O-CA 3.31Å; S54-Y73 WeakPolarHBondContact O-CA 3.49Å; E55-Y73 HydrophobicContact CB-CD1 3.82Å; E55-Y73 HydrophobicContact CB-CE1 3.56Å; E55-Y73 VanDerWaalsContact CD-OH 3.31Å; E55-Y73 HydrophobicContact CG-CD1 3.99Å; E55-Y73 HydrophobicContact CG-CE1 3.45Å; E55-Y73 VanDerWaalsContact CG-CE1 3.45Å; E55-Y73 WeakPolarHBondContact OE2-CE1 3.26Å; E55-Y73 PolarHBondContact OE2-OH 3.28Å; L71-Y73 HydrophobicContact CB-CE2 4.08Å; L71-Y73 HydrophobicContact CD1-CE2 4.5Å; Y73-Y92 VanDerWaalsContact O-CA 3.3Å; Y73-Y92 WeakPolarHBondContact O-CA 3.36Å; Y73-I93 HydrophobicContact CD2-CG1 4.32Å; Y73-I93 HydrophobicContact CG-CG1 4.43Å; Y73-I93 PolarHBondContact N-O 3.37Å; Y73-I93 PolarHBondContact O-N 2.91Å; Y73-T95 HydrophobicContact CD2-CG2 4.31Å; Y73-T95 HydrophobicContact CE2-CG2 3.84Å; Y73-L106 HydrophobicContact CD2-CD1 4.21Å; Y73-L106 HydrophobicContact CE1-CB 4.13Å; Y73-L106 HydrophobicContact CE2-CB 4.41Å; Y73-L106 HydrophobicContact CE2-CD1 4.31Å; Y73-L106 HydrophobicContact CE2-CG 4.32Å; Y73-L106 PolarHBondContact OH-N 2.91Å; Y73-L106 VanDerWaalsContact OH-N 3.12Å
74	E	98.2	Very high	94.7	Very high	80 Å²	80	66.5 Å²	66.5	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.4	163.3	-175	176.8	-163	0	0	108.6	S53 S54 Q91 Y92	S53-E74 WeakPolarHBondContact CB-O 3.46Å; S53-E74 PolarHBondContact N-O 3.12Å; S54-E74 PolarHBondContact N-O 3Å; S54-E74 PolarHBondContact O-N 3.28Å; S54-E74 VanDerWaalsContact OG-CB 3.24Å; S54-E74 WeakPolarHBondContact OG-CB 3.4Å; S54-E74 PolarHBondContact OG-OE2 3.28Å; E74-Q91 WeakPolarHBondContact CA-O 3.26Å; E74-Y92 HydrophobicContact CB-CD1 4.11Å; E74-Y92 HydrophobicContact CB-CE1 3.9Å; E74-Y92 HydrophobicContact CG-CD1 4.35Å; E74-Y92 HydrophobicContact CG-CE1 3.84Å
75	I	98	Very high	95	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.8	-174.9	66.1	148.3	0	0	0	112	I48 A50 K51 I52 V90 Q91 I93	I48-I75 HydrophobicContact CD1-CD1 3.45Å; I48-I75 VanDerWaalsContact CD1-CD1 3.45Å; A50-I75 HydrophobicContact CB-CB 4.22Å; A50-I75 HydrophobicContact CB-CD1 3.63Å; K51-I75 CarbonylContact O-C 3.59Å; K51-I75 VanDerWaalsContact O-CA 3.24Å; K51-I75 WeakPolarHBondContact O-CA 3.43Å; K51-I75 WeakPolarHBondContact O-CB 3.5Å; I52-I75 HydrophobicContact CD1-CG2 3.57Å; I75-V90 HydrophobicContact CD1-CB 4.23Å; I75-V90 HydrophobicContact CD1-CG1 3.88Å; I75-V90 VanDerWaalsContact CD1-O 3.32Å; I75-V90 WeakPolarHBondContact CD1-O 3.44Å; I75-V90 HydrophobicContact CG1-CG1 4.46Å; I75-V90 WeakPolarHBondContact CG1-O 3.13Å; I75-Q91 PolarHBondContact N-O 3.12Å; I75-I93 HydrophobicContact CD1-CG2 4.2Å; I75-I93 HydrophobicContact CG1-CG2 4.49Å; I75-I93 HydrophobicContact CG2-CD1 3.8Å; I75-I93 HydrophobicContact CG2-CG1 3.99Å
76	K	97.4	Very high	95.1	Very high	145 Å²	145	68.1 Å²	68.1	63%	0.63	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	100.3	163.6	-172.2	176.3	-177.2	175.3	0	108.3	A50 K51 I78	A50-K76 WeakPolarHBondContact CA-O 3.36Å; K51-K76 HydrophobicContact CB-CB 4.25Å; K51-K76 PolarHBondContact N-O 2.88Å; K51-K76 PolarHBondContact O-N 2.81Å; K76-I78 PolarHBondContact O-N 3.21Å
77	Q	97.2	Very high	95.3	Very high	51 Å²	51	66.8 Å²	66.8	24%	0.238	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.5	174.3	-173.2	-179.7	-81.1	0	0	109.8
78	I	97.1	Very high	95.2	Very high	78 Å²	78	70.3 Å²	70.3	40%	0.4	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-44.8	178.1	-59.7	172	0	0	0	109.5	R49 K76 Q113	R49-I78 HydrophobicContact CG-CB 4.23Å; R49-I78 HydrophobicContact CG-CD1 4.33Å; R49-I78 WeakPolarHBondContact O-CA 3.4Å; R49-I78 WeakPolarHBondContact O-CB 3.31Å; R49-I78 PolarHBondContact O-N 2.99Å; K76-I78 PolarHBondContact O-N 3.21Å; I78-Q113 HydrophobicContact CD1-CB 4.33Å; I78-Q113 HydrophobicContact CD1-CG 3.85Å; I78-Q113 VanDerWaalsContact CD1-OE1 3.23Å
79	K	96.9	Very high	95.2	Very high	91 Å²	91	69.1 Å²	69.1	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141	179.1	-175.7	165.4	177.1	174.9	0	110.6	I48 R49 F81 N149	I48-K79 CarbonylContact C-O 3.53Å; I48-K79 VanDerWaalsContact CA-O 3.3Å; I48-K79 WeakPolarHBondContact CA-O 3.48Å; R49-K79 HydrophobicContact CB-CB 4.37Å; R49-K79 PolarHBondContact N-O 3.37Å; R49-K79 PolarHBondContact O-N 2.91Å; R49-K79 VanDerWaalsContact O-N 3.15Å; K79-F81 HydrophobicContact CB-CE2 4.5Å; K79-F81 HydrophobicContact CB-CZ 4.4Å; K79-F81 HydrophobicContact CD-CD1 4.35Å; K79-F81 HydrophobicContact CD-CE1 3.67Å; K79-F81 HydrophobicContact CD-CZ 3.82Å; K79-F81 HydrophobicContact CG-CD1 4.48Å; K79-F81 HydrophobicContact CG-CE1 4.12Å; K79-F81 HydrophobicContact CG-CE2 4.39Å; K79-F81 HydrophobicContact CG-CZ 4.07Å; K79-N149 WeakPolarHBondContact CE-OD1 3.35Å; K79-N149 PolarHBondContact NZ-OD1 3.5Å
80	M	96.9	Very high	95.2	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.054	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.1	166.7	-176.4	177.7	-62.1	0	0	109.1	L46 I48 K82 F84 V90	L46-M80 HydrophobicContact CD1-CE 3.89Å; L46-M80 HydrophobicContact CD1-SD 4.28Å; I48-M80 HydrophobicContact CG2-CB 4.03Å; I48-M80 HydrophobicContact CG2-CE 4.2Å; I48-M80 HydrophobicContact CG2-CG 3.95Å; M80-K82 WeakPolarHBondContact CG-O 3.47Å; M80-F84 HydrophobicContact CB-CD1 4.43Å; M80-F84 HydrophobicContact CB-CE1 3.73Å; M80-F84 HydrophobicContact CB-CE2 4.36Å; M80-F84 HydrophobicContact CB-CZ 3.71Å; M80-F84 HydrophobicContact CG-CD1 4.19Å; M80-F84 HydrophobicContact CG-CD2 4.27Å; M80-F84 HydrophobicContact CG-CE1 3.9Å; M80-F84 HydrophobicContact CG-CE2 3.98Å; M80-F84 HydrophobicContact CG-CG 4.39Å; M80-F84 HydrophobicContact CG-CZ 3.8Å; M80-F84 WeakPolarHBondContact O-CZ 3.39Å; M80-F84 HydrophobicContact SD-CB 4.35Å; M80-F84 HydrophobicContact SD-CD1 3.59Å; M80-F84 VanDerWaalsContact SD-CD1 3.59Å; M80-F84 HydrophobicContact SD-CD2 4.17Å; M80-F84 HydrophobicContact SD-CE1 3.88Å; M80-F84 HydrophobicContact SD-CE2 4.42Å; M80-F84 HydrophobicContact SD-CG 3.76Å; M80-F84 HydrophobicContact SD-CZ 4.3Å; M80-F84 PolarHBondContact SD-N 2.68Å; M80-V90 HydrophobicContact CE-CG2 4.11Å
81	F	96.6	Very high	95.2	Very high	29 Å²	29	67.2 Å²	67.2	13%	0.127	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-28.4	176.2	-59.2	-81.9	0	0	0	111.7	V47 R49 K79 L115 W137 L148	V47-F81 HydrophobicContact CB-CB 4.17Å; V47-F81 HydrophobicContact CG1-CB 3.94Å; V47-F81 HydrophobicContact CG1-CD2 4.01Å; V47-F81 HydrophobicContact CG1-CG 4.39Å; V47-F81 PolarHBondContact O-N 2.96Å; R49-F81 HydrophobicContact CB-CE2 3.91Å; K79-F81 HydrophobicContact CB-CE2 4.5Å; K79-F81 HydrophobicContact CB-CZ 4.4Å; K79-F81 HydrophobicContact CD-CD1 4.35Å; K79-F81 HydrophobicContact CD-CE1 3.67Å; K79-F81 HydrophobicContact CD-CZ 3.82Å; K79-F81 HydrophobicContact CG-CD1 4.48Å; K79-F81 HydrophobicContact CG-CE1 4.12Å; K79-F81 HydrophobicContact CG-CE2 4.39Å; K79-F81 HydrophobicContact CG-CZ 4.07Å; F81-L115 HydrophobicContact CD2-CD1 4.36Å; F81-L115 HydrophobicContact CE2-CD1 4.29Å; F81-W137 HydrophobicContact CE2-CH2 4.45Å; F81-W137 HydrophobicContact CE2-CZ3 4.07Å; F81-W137 AromaticContact CZ-CH2 3.8Å; F81-W137 HydrophobicContact CZ-CH2 3.8Å; F81-W137 AromaticContact CZ-CZ3 3.89Å; F81-W137 HydrophobicContact CZ-CZ3 3.89Å; F81-L148 HydrophobicContact CD1-CB 3.68Å; F81-L148 HydrophobicContact CD2-CD1 4.46Å; F81-L148 HydrophobicContact CE1-CB 3.8Å; F81-L148 HydrophobicContact CE1-CD1 4.31Å; F81-L148 HydrophobicContact CE2-CD1 4.02Å; F81-L148 HydrophobicContact CG-CB 4.06Å; F81-L148 HydrophobicContact CZ-CB 4.28Å; F81-L148 HydrophobicContact CZ-CD1 3.94Å
82	K	95.8	Very high	95.3	Very high	31 Å²	31	71.1 Å²	71.1	14%	0.135	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.4	177.5	-175.8	179.3	-178.1	-169.5	0	110.2	I41 C42 S44 L46 V47 M80	I41-K82 PolarHBondContact O-NZ 3.4Å; C42-K82 PolarHBondContact O-NZ 3.05Å; S44-K82 WeakPolarHBondContact O-CE 3.23Å; S44-K82 PolarHBondContact O-NZ 3.21Å; L46-K82 WeakPolarHBondContact CA-O 3.37Å; V47-K82 HydrophobicContact CB-CB 3.93Å; V47-K82 HydrophobicContact CG2-CB 3.9Å; V47-K82 HydrophobicContact CG2-CD 4.31Å; V47-K82 PolarHBondContact N-O 2.99Å; V47-K82 PolarHBondContact O-N 3.22Å; M80-K82 WeakPolarHBondContact CG-O 3.47Å
83	G	94.3	Very high	95.3	Very high	0 Å²	0	68 Å²	68	0%	0	31%	0.31	C	S	.	.			trans	109.9	8	175.4	0	0	0	0	0	115	A45 E85 K86 V87	A45-G83 VanDerWaalsContact O-CA 3.3Å; A45-G83 WeakPolarHBondContact O-CA 3.25Å; G83-E85 WeakPolarHBondContact CA-OE2 3.38Å; G83-E85 PolarHBondContact O-N 2.84Å; G83-K86 PolarHBondContact O-N 3.36Å; G83-V87 PolarHBondContact O-N 3.16Å
84	F	93.4	Very high	95.2	Very high	136 Å²	136	69.5 Å²	69.5	60%	0.596	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-29	178.6	-62.3	-83.6	0	0	0	113	M80 K86	M80-F84 HydrophobicContact CB-CD1 4.43Å; M80-F84 HydrophobicContact CB-CE1 3.73Å; M80-F84 HydrophobicContact CB-CE2 4.36Å; M80-F84 HydrophobicContact CB-CZ 3.71Å; M80-F84 HydrophobicContact CG-CD1 4.19Å; M80-F84 HydrophobicContact CG-CD2 4.27Å; M80-F84 HydrophobicContact CG-CE1 3.9Å; M80-F84 HydrophobicContact CG-CE2 3.98Å; M80-F84 HydrophobicContact CG-CG 4.39Å; M80-F84 HydrophobicContact CG-CZ 3.8Å; M80-F84 WeakPolarHBondContact O-CZ 3.39Å; M80-F84 HydrophobicContact SD-CB 4.35Å; M80-F84 HydrophobicContact SD-CD1 3.59Å; M80-F84 VanDerWaalsContact SD-CD1 3.59Å; M80-F84 HydrophobicContact SD-CD2 4.17Å; M80-F84 HydrophobicContact SD-CE1 3.88Å; M80-F84 HydrophobicContact SD-CE2 4.42Å; M80-F84 HydrophobicContact SD-CG 3.76Å; M80-F84 HydrophobicContact SD-CZ 4.3Å; M80-F84 PolarHBondContact SD-N 2.68Å; F84-K86 VanDerWaalsContact C-N 3.32Å
85	E	92.1	Very high	95.2	Very high	133 Å²	133	65.7 Å²	65.7	62%	0.621	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.1	177.2	73.5	-69.1	169.8	0	0	113.4	G83	G83-E85 WeakPolarHBondContact CA-OE2 3.38Å; G83-E85 PolarHBondContact O-N 2.84Å
86	K	91.9	Very high	95.2	Very high	113 Å²	113	66 Å²	66	49%	0.491	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-41.3	-176.6	-61.1	-171.3	178.5	-166.4	0	112.9	A45 G83 F84 V120	A45-K86 HydrophobicContact CB-CD 3.85Å; A45-K86 VanDerWaalsContact CB-NZ 3.32Å; G83-K86 PolarHBondContact O-N 3.36Å; F84-K86 VanDerWaalsContact C-N 3.32Å; K86-V120 HydrophobicContact CB-CB 4.41Å; K86-V120 HydrophobicContact CB-CG1 4.42Å; K86-V120 HydrophobicContact CB-CG2 4.14Å; K86-V120 HydrophobicContact CD-CB 4.25Å; K86-V120 HydrophobicContact CD-CG2 4.22Å
87	V	92.1	Very high	95.1	Very high	22 Å²	22	62.4 Å²	62.4	13%	0.133	29%	0.286	C	S	.	.			trans	-143.3	133.6	-176.2	-178.3	0	0	0	0	109.6	G83 D89 V90 V120	G83-V87 PolarHBondContact O-N 3.16Å; V87-D89 WeakPolarHBondContact CG1-O 3.39Å; V87-V90 HydrophobicContact CB-CG2 4.48Å; V87-V90 HydrophobicContact CG1-CG2 3.94Å; V87-V120 HydrophobicContact CG2-CB 4.41Å; V87-V120 HydrophobicContact CG2-CG1 3.53Å; V87-V120 HydrophobicContact CG2-CG2 3.96Å
88	K	88.4	Confident	94.8	Very high	200 Å²	200	63.9 Å²	63.9	87%	0.87	30%	0.295	S	S	*	.	S	Bend	trans	-76.5	-44.8	179	-65.9	-174.6	179.8	-178.8	0	112.7
89	D	89.4	Confident	94.5	Very high	94 Å²	94	64.4 Å²	64.4	50%	0.503	31%	0.306	S	S	.	.			trans	-143.4	134.9	-178.5	-168.3	-56.1	0	0	0	109.4	V87	V87-D89 WeakPolarHBondContact CG1-O 3.39Å
90	V	95.1	Very high	94.3	Very high	3 Å²	3	63 Å²	63	2%	0.018	31%	0.308	C	S	.	.			trans	-106.4	106.6	178.6	-174.5	0	0	0	0	109.2	L46 I48 I75 M80 V87 I93 V126	L46-V90 HydrophobicContact CD1-CG2 3.96Å; L46-V90 HydrophobicContact CD2-CG1 4.49Å; L46-V90 HydrophobicContact CD2-CG2 3.9Å; I48-V90 HydrophobicContact CD1-CB 4.24Å; I48-V90 HydrophobicContact CD1-CG1 4.17Å; I75-V90 HydrophobicContact CD1-CB 4.23Å; I75-V90 HydrophobicContact CD1-CG1 3.88Å; I75-V90 VanDerWaalsContact CD1-O 3.32Å; I75-V90 WeakPolarHBondContact CD1-O 3.44Å; I75-V90 HydrophobicContact CG1-CG1 4.46Å; I75-V90 WeakPolarHBondContact CG1-O 3.13Å; M80-V90 HydrophobicContact CE-CG2 4.11Å; V87-V90 HydrophobicContact CB-CG2 4.48Å; V87-V90 HydrophobicContact CG1-CG2 3.94Å; V90-I93 HydrophobicContact CG1-CG2 3.81Å; V90-V126 HydrophobicContact CB-CG2 4.45Å; V90-V126 HydrophobicContact CG1-CB 4.08Å; V90-V126 HydrophobicContact CG1-CG1 4.42Å; V90-V126 HydrophobicContact CG1-CG2 3.63Å; V90-V126 HydrophobicContact CG2-CG2 3.96Å
91	Q	96.1	Very high	94.1	Very high	115 Å²	115	67.1 Å²	67.1	54%	0.537	33%	0.329	S	S	.	.			trans	-95.3	-32.2	176.3	-63	178.6	7.7	0	0	112.5	E74 I75	E74-Q91 WeakPolarHBondContact CA-O 3.26Å; I75-Q91 PolarHBondContact N-O 3.12Å
92	Y	97.5	Very high	94	Very high	83 Å²	83	67 Å²	67	33%	0.325	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.7	-176.4	-57.3	-66.7	0	0	0	111.2	R72 Y73 E74	R72-Y92 HydrophobicContact CG-CD1 4.19Å; R72-Y92 HydrophobicContact CG-CG 4.43Å; Y73-Y92 VanDerWaalsContact O-CA 3.3Å; Y73-Y92 WeakPolarHBondContact O-CA 3.36Å; E74-Y92 HydrophobicContact CB-CD1 4.11Å; E74-Y92 HydrophobicContact CB-CE1 3.9Å; E74-Y92 HydrophobicContact CG-CD1 4.35Å; E74-Y92 HydrophobicContact CG-CE1 3.84Å
93	I	97.9	Very high	94	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.7	169.5	65.7	-179	0	0	0	109.4	I52 R72 Y73 I75 V90 L106 L116 V126 I128	I52-I93 HydrophobicContact CD1-CD1 4.31Å; R72-I93 WeakPolarHBondContact CA-O 3.27Å; Y73-I93 HydrophobicContact CD2-CG1 4.32Å; Y73-I93 HydrophobicContact CG-CG1 4.43Å; Y73-I93 PolarHBondContact N-O 3.37Å; Y73-I93 PolarHBondContact O-N 2.91Å; I75-I93 HydrophobicContact CD1-CG2 4.2Å; I75-I93 HydrophobicContact CG1-CG2 4.49Å; I75-I93 HydrophobicContact CG2-CD1 3.8Å; I75-I93 HydrophobicContact CG2-CG1 3.99Å; V90-I93 HydrophobicContact CG1-CG2 3.81Å; I93-L106 HydrophobicContact CD1-CD1 4.03Å; I93-L116 HydrophobicContact CD1-CD1 3.68Å; I93-V126 CarbonylContact C-O 3.58Å; I93-V126 WeakPolarHBondContact CA-O 3.38Å; I93-V126 HydrophobicContact CB-CG1 4.38Å; I93-V126 HydrophobicContact CG2-CB 4.08Å; I93-V126 HydrophobicContact CG2-CG1 3.77Å; I93-I128 HydrophobicContact CD1-CD1 3.75Å; I93-I128 HydrophobicContact CG1-CD1 4.45Å
94	Y	97.9	Very high	94.2	Very high	31 Å²	31	66.6 Å²	66.6	12%	0.122	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.6	-173.3	-62.3	-100.9	0	0	0	110	V58 L71 R72 K125 V126 F127 I128	V58-Y94 HydrophobicContact CG2-CD1 4.43Å; V58-Y94 HydrophobicContact CG2-CE1 4.37Å; L71-Y94 WeakPolarHBondContact O-CA 3.42Å; R72-Y94 HydrophobicContact CB-CD1 4.03Å; R72-Y94 HydrophobicContact CB-CE1 3.94Å; R72-Y94 WeakPolarHBondContact CD-OH 3.35Å; R72-Y94 HydrophobicContact CG-CD1 4.01Å; R72-Y94 HydrophobicContact CG-CE1 3.59Å; R72-Y94 HydrophobicContact CG-CE2 4.37Å; Y94-K125 HydrophobicContact CD2-CB 3.92Å; Y94-K125 HydrophobicContact CD2-CD 4.19Å; Y94-K125 HydrophobicContact CD2-CG 4.21Å; Y94-K125 HydrophobicContact CE1-CD 4.18Å; Y94-K125 HydrophobicContact CE2-CB 3.91Å; Y94-K125 HydrophobicContact CE2-CD 3.84Å; Y94-K125 HydrophobicContact CE2-CG 3.74Å; Y94-V126 WeakPolarHBondContact CD2-O 3.3Å; Y94-V126 PolarHBondContact N-O 3.24Å; Y94-F127 WeakPolarHBondContact O-CA 3.31Å; Y94-I128 PolarHBondContact O-N 3.49Å
95	T	97.9	Very high	94.3	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.2	174.5	178.3	0	0	0	0	109.2	M70 L71 Y73 G103 V104 I128	M70-T95 CarbonylContact C-O 3.6Å; M70-T95 WeakPolarHBondContact CA-O 3.42Å; M70-T95 WeakPolarHBondContact CB-O 3.31Å; L71-T95 HydrophobicContact CB-CG2 3.75Å; L71-T95 HydrophobicContact CD1-CG2 4.48Å; L71-T95 PolarHBondContact N-O 3.19Å; L71-T95 PolarHBondContact O-N 3.42Å; Y73-T95 HydrophobicContact CD2-CG2 4.31Å; Y73-T95 HydrophobicContact CE2-CG2 3.84Å; T95-G103 WeakPolarHBondContact OG1-CA 3.47Å; T95-V104 WeakPolarHBondContact CG2-O 3.44Å; T95-V104 PolarHBondContact OG1-N 3.4Å; T95-I128 WeakPolarHBondContact CA-O 3.39Å; T95-I128 VanDerWaalsContact CB-O 3.31Å; T95-I128 WeakPolarHBondContact CB-O 3.43Å; T95-I128 PolarHBondContact OG1-O 2.91Å
96	P	96.4	Very high	94.5	Very high	18 Å²	18	62.1 Å²	62.1	12%	0.117	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	146.8	172	-27.8	40.1	0	0	0	111.1	L101 G103 F127	P96-L101 HydrophobicContact CB-CB 3.79Å; P96-L101 WeakPolarHBondContact CB-O 3.16Å; P96-L101 HydrophobicContact CG-CB 4.48Å; P96-L101 VanDerWaalsContact CG-O 3.28Å; P96-L101 WeakPolarHBondContact CG-O 3.16Å; P96-G103 WeakPolarHBondContact O-CA 3.38Å; P96-F127 HydrophobicContact CG-CE2 4.07Å; P96-F127 HydrophobicContact CG-CZ 3.78Å
97	F	95.3	Very high	94.7	Very high	71 Å²	71	61.3 Å²	61.3	31%	0.311	31%	0.31	S	S	.	.	S	Bend	trans	-68.9	-40.5	-179.8	179.2	-98.5	0	0	0	112.4	V57 K69 L71	V57-F97 HydrophobicContact CG1-CD2 3.96Å; V57-F97 HydrophobicContact CG1-CE2 4.22Å; V57-F97 HydrophobicContact CG2-CD2 4.03Å; V57-F97 HydrophobicContact CG2-CE2 3.68Å; K69-F97 HydrophobicContact CB-CB 3.86Å; K69-F97 HydrophobicContact CB-CG 4.2Å; K69-F97 WeakPolarHBondContact O-CB 3.31Å; K69-F97 PolarHBondContact O-N 2.85Å; K69-F97 VanDerWaalsContact O-N 3.12Å; L71-F97 HydrophobicContact CD1-CD2 4.46Å; L71-F97 HydrophobicContact CD2-CD2 3.6Å; L71-F97 HydrophobicContact CD2-CE2 4Å; L71-F97 HydrophobicContact CG-CD2 3.84Å
98	D	92.4	Very high	94.8	Very high	81 Å²	81	61.8 Å²	61.8	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	-93	135.2	-176.8	-68	-52.3	0	0	0	112.3	S100 L101 G103	D98-S100 PolarHBondContact O-N 2.98Å; D98-L101 HydrophobicContact CB-CG 4.44Å; D98-L101 CarbonylContact O-C 3.49Å; D98-L101 PolarHBondContact O-N 2.9Å; D98-G103 WeakPolarHBondContact O-CA 3.41Å; D98-G103 PolarHBondContact O-N 2.94Å
99	S	91.1	Very high	95	Very high	90 Å²	90	59 Å²	59	63%	0.629	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.8	176.4	60.5	0	0	0	0	113.4	L101 C102	S99-L101 PolarHBondContact O-N 3.34Å; S99-C102 PolarHBondContact O-N 3.2Å
100	S	91.1	Very high	95.1	Very high	62 Å²	62	55.8 Å²	55.8	43%	0.434	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.8	172.6	50.1	0	0	0	0	112.2	C30 D98 C102	C30-S100 PolarHBondContact N-O 2.64Å; D98-S100 PolarHBondContact O-N 2.98Å; S100-C102 PolarHBondContact O-N 3.38Å
101	L	92.4	Very high	95	Very high	97 Å²	97	63.1 Å²	63.1	51%	0.508	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-90.2	22.2	174.3	-59	178.4	0	0	0	112.3	P96 D98 S99 G103	P96-L101 HydrophobicContact CB-CB 3.79Å; P96-L101 WeakPolarHBondContact CB-O 3.16Å; P96-L101 HydrophobicContact CG-CB 4.48Å; P96-L101 VanDerWaalsContact CG-O 3.28Å; P96-L101 WeakPolarHBondContact CG-O 3.16Å; D98-L101 HydrophobicContact CB-CG 4.44Å; D98-L101 CarbonylContact O-C 3.49Å; D98-L101 PolarHBondContact O-N 2.9Å; S99-L101 PolarHBondContact O-N 3.34Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 2.71Å
102	C	95.6	Very high	95.1	Very high	27 Å²	27	62 Å²	62	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	27.2	-175.6	-53.1	0	0	0	0	114.2	C30 S99 S100 H129 L130	C30-C102 HydrophobicContact CB-CB 3.91Å; C30-C102 WeakPolarHBondContact CB-SG 3.23Å; C30-C102 WeakPolarHBondContact SG-CA 3.43Å; C30-C102 WeakPolarHBondContact SG-CB 3.25Å; C30-C102 CovalentContact SG-SG 2.02Å; C30-C102 PolarHBondContact SG-SG 2.77Å; S99-C102 PolarHBondContact O-N 3.2Å; S100-C102 PolarHBondContact O-N 3.38Å; C102-H129 HydrophobicContact CB-CB 4Å; C102-H129 CarbonylContact O-C 3.47Å; C102-H129 VanDerWaalsContact O-CA 3.3Å; C102-H129 WeakPolarHBondContact O-CA 3.08Å; C102-H129 WeakPolarHBondContact O-CB 3.47Å; C102-L130 HydrophobicContact CB-CB 3.96Å; C102-L130 PolarHBondContact O-N 3.46Å
103	G	96.6	Very high	95.1	Very high	7 Å²	7	60.2 Å²	60.2	7%	0.072	32%	0.318	C	S	.	.			trans	-64.3	139.1	171.8	0	0	0	0	0	113	T95 P96 D98 L101	T95-G103 WeakPolarHBondContact OG1-CA 3.47Å; P96-G103 WeakPolarHBondContact O-CA 3.38Å; D98-G103 WeakPolarHBondContact O-CA 3.41Å; D98-G103 PolarHBondContact O-N 2.94Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 2.71Å
104	V	97	Very high	95.1	Very high	14 Å²	14	60.9 Å²	60.9	9%	0.085	32%	0.32	C	S	.	.			trans	-110.2	135.5	177.6	-174.1	0	0	0	0	109.9	T95 L106 L130 I134	T95-V104 WeakPolarHBondContact CG2-O 3.44Å; T95-V104 PolarHBondContact OG1-N 3.4Å; V104-L106 HydrophobicContact CG1-CD2 3.77Å; V104-L106 HydrophobicContact CG1-CG 4.16Å; V104-L130 HydrophobicContact CG2-CB 4.29Å; V104-L130 HydrophobicContact CG2-CD1 4.37Å; V104-L130 VanDerWaalsContact CG2-N 3.32Å; V104-I134 HydrophobicContact CB-CD1 4.4Å; V104-I134 HydrophobicContact CG1-CD1 4.1Å; V104-I134 HydrophobicContact CG2-CD1 3.86Å
105	K	95.9	Very high	95.2	Very high	165 Å²	165	59.4 Å²	59.4	72%	0.717	32%	0.315	S	S	*	.			trans	-103.6	123.2	171.1	-68.4	-165.2	176.3	-173.1	0	110.3
106	L	96.8	Very high	95.2	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	32%	0.315	C	S	.	.			trans	-114.6	148.6	179.1	-56.4	174.3	0	0	0	110.8	I52 Y73 I93 V104 A108 Y114 L116 I128 I134	I52-L106 HydrophobicContact CD1-CB 4.47Å; I52-L106 HydrophobicContact CD1-CD1 3.75Å; I52-L106 HydrophobicContact CG1-CB 3.91Å; I52-L106 HydrophobicContact CG1-CD1 4.11Å; Y73-L106 HydrophobicContact CD2-CD1 4.21Å; Y73-L106 HydrophobicContact CE1-CB 4.13Å; Y73-L106 HydrophobicContact CE2-CB 4.41Å; Y73-L106 HydrophobicContact CE2-CD1 4.31Å; Y73-L106 HydrophobicContact CE2-CG 4.32Å; Y73-L106 PolarHBondContact OH-N 2.91Å; Y73-L106 VanDerWaalsContact OH-N 3.12Å; I93-L106 HydrophobicContact CD1-CD1 4.03Å; V104-L106 HydrophobicContact CG1-CD2 3.77Å; V104-L106 HydrophobicContact CG1-CG 4.16Å; L106-A108 PolarHBondContact O-N 2.73Å; L106-A108 VanDerWaalsContact O-N 3.08Å; L106-Y114 HydrophobicContact CD2-CD1 4.35Å; L106-Y114 HydrophobicContact CD2-CE1 4.26Å; L106-L116 HydrophobicContact CD1-CD2 4.23Å; L106-I128 HydrophobicContact CD1-CD1 4.04Å; L106-I134 HydrophobicContact CD2-CG2 3.84Å
107	E	96.3	Very high	95.3	Very high	95 Å²	95	58.7 Å²	58.7	44%	0.444	31%	0.31	S	S	.	.			trans	-79.4	96.3	-178.4	-68.3	173.8	-134.2	0	0	111.5	S110 K112	E107-S110 PolarHBondContact O-OG 3.39Å; E107-K112 IonicContact OE1-NZ 2.8Å; E107-K112 PolarHBondContact OE1-NZ 2.75Å; E107-K112 WeakPolarHBondContact OE2-CD 3.39Å; E107-K112 WeakPolarHBondContact OE2-CE 3Å; E107-K112 IonicContact OE2-NZ 2.73Å; E107-K112 PolarHBondContact OE2-NZ 2.97Å
108	A	94.4	Very high	95.4	Very high	32 Å²	32	55.3 Å²	55.3	26%	0.264	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	154.6	173.6	0	0	0	0	0	112.7	I52 E55 L106 S110	I52-A108 HydrophobicContact CG2-CB 3.91Å; E55-A108 HydrophobicContact CB-CB 4.36Å; L106-A108 PolarHBondContact O-N 2.73Å; L106-A108 VanDerWaalsContact O-N 3.08Å; A108-S110 PolarHBondContact O-N 2.91Å; A108-S110 VanDerWaalsContact O-N 3.11Å
109	N	91.3	Very high	95.6	Very high	141 Å²	141	54.9 Å²	54.9	75%	0.754	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	22.8	-178.6	-63.7	-61.4	0	0	0	114.6	I52 S53	I52-N109 PolarHBondContact O-N 3.03Å; S53-N109 PolarHBondContact O-N 2.85Å; S53-N109 VanDerWaalsContact O-N 3.17Å; S53-N109 PolarHBondContact O-ND2 2.84Å; S53-N109 PolarHBondContact O-OD1 3.39Å
110	S	92.8	Very high	95.9	Very high	27 Å²	27	52 Å²	52	19%	0.189	27%	0.269	C	S	.	.	S	Bend	trans	-101.4	162.3	178.8	76.9	0	0	0	0	111.7	E107 A108 K112	E107-S110 PolarHBondContact O-OG 3.39Å; A108-S110 PolarHBondContact O-N 2.91Å; A108-S110 VanDerWaalsContact O-N 3.11Å; S110-K112 PolarHBondContact O-N 3.21Å; S110-K112 WeakPolarHBondContact OG-CB 3.44Å; S110-K112 PolarHBondContact OG-N 2.83Å
111	Q	92.9	Very high	96	Very high	158 Å²	158	52.5 Å²	52.5	74%	0.738	27%	0.266	S	S	*	.	S	Bend	trans	-77.9	-2.6	169.9	-64.8	-61.2	-33.7	0	0	112.6	K51	K51-Q111 WeakPolarHBondContact CE-O 3.26Å; K51-Q111 PolarHBondContact NZ-O 3.06Å
112	K	96.8	Very high	95.8	Very high	92 Å²	92	54.4 Å²	54.4	40%	0.4	29%	0.288	S	S	.	.			trans	-67.6	141.9	179.4	-65.2	-175.5	178.4	173.6	0	110.4	K51 E107 S110 Y114	K51-K112 WeakPolarHBondContact CG-O 3.36Å; E107-K112 IonicContact OE1-NZ 2.8Å; E107-K112 PolarHBondContact OE1-NZ 2.75Å; E107-K112 WeakPolarHBondContact OE2-CD 3.39Å; E107-K112 WeakPolarHBondContact OE2-CE 3Å; E107-K112 IonicContact OE2-NZ 2.73Å; E107-K112 PolarHBondContact OE2-NZ 2.97Å; S110-K112 PolarHBondContact O-N 3.21Å; S110-K112 WeakPolarHBondContact OG-CB 3.44Å; S110-K112 PolarHBondContact OG-N 2.83Å; K112-Y114 HydrophobicContact CB-CE2 3.93Å
113	Q	98	Very high	95.4	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.9	175.4	-55.8	178.6	27.2	0	0	106.7	A50 K51 I78 P136 W137	A50-Q113 WeakPolarHBondContact O-CA 3.42Å; K51-Q113 HydrophobicContact CD-CG 4.23Å; K51-Q113 HydrophobicContact CG-CG 4.02Å; I78-Q113 HydrophobicContact CD1-CB 4.33Å; I78-Q113 HydrophobicContact CD1-CG 3.85Å; I78-Q113 VanDerWaalsContact CD1-OE1 3.23Å; Q113-P136 CarbonylContact O-C 3.51Å; Q113-P136 WeakPolarHBondContact O-CA 3.19Å; Q113-W137 HydrophobicContact CB-CB 3.92Å; Q113-W137 WeakPolarHBondContact O-CB 3.03Å; Q113-W137 PolarHBondContact O-N 3.34Å
114	Y	98.6	Very high	95.1	Very high	15 Å²	15	58.9 Å²	58.9	6%	0.059	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.4	-178.5	-65.9	-90.1	0	0	0	109.6	R49 A50 I52 L106 K112 E135 P136	R49-Y114 CarbonylContact C-O 3.56Å; R49-Y114 VanDerWaalsContact CA-O 3.27Å; R49-Y114 WeakPolarHBondContact CA-O 3.49Å; A50-Y114 PolarHBondContact N-O 3.14Å; A50-Y114 PolarHBondContact O-N 3.38Å; I52-Y114 HydrophobicContact CG1-CD2 3.94Å; I52-Y114 HydrophobicContact CG1-CE2 4.09Å; L106-Y114 HydrophobicContact CD2-CD1 4.35Å; L106-Y114 HydrophobicContact CD2-CE1 4.26Å; K112-Y114 HydrophobicContact CB-CE2 3.93Å; Y114-E135 CarbonylContact C-O 3.51Å; Y114-E135 WeakPolarHBondContact CA-O 3.22Å; Y114-P136 HydrophobicContact CD1-CG 4.44Å; Y114-P136 HydrophobicContact CE1-CG 4.11Å
115	L	98.6	Very high	94.9	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.5	152.2	176.4	68.8	0	0	0	107.2	V47 I48 F81 Y133 I134 E135 L140 L148	V47-L115 HydrophobicContact CG1-CD1 3.72Å; I48-L115 WeakPolarHBondContact O-CA 3.27Å; F81-L115 HydrophobicContact CD2-CD1 4.36Å; F81-L115 HydrophobicContact CE2-CD1 4.29Å; L115-Y133 HydrophobicContact CD2-CD1 3.7Å; L115-Y133 HydrophobicContact CD2-CE1 3.71Å; L115-I134 WeakPolarHBondContact O-CA 3.43Å; L115-E135 PolarHBondContact N-O 3.4Å; L115-E135 PolarHBondContact O-N 3.49Å; L115-E135 VanDerWaalsContact O-N 3.16Å; L115-L140 HydrophobicContact CB-CD1 3.89Å; L115-L140 HydrophobicContact CD2-CD1 3.81Å; L115-L140 HydrophobicContact CD2-CD2 4.05Å; L115-L140 HydrophobicContact CG-CD1 4.41Å; L115-L148 HydrophobicContact CD1-CD1 3.88Å; L115-L148 HydrophobicContact CD1-CD2 3.93Å; L115-L148 HydrophobicContact CD2-CD1 4.19Å; L115-L148 HydrophobicContact CD2-CD2 3.97Å
116	L	98.5	Very high	95	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.9	179.7	-56.6	173.2	0	0	0	108.4	V47 I48 A50 I52 I93 L106 I134	V47-L116 WeakPolarHBondContact CA-O 3.38Å; I48-L116 HydrophobicContact CD1-CD1 4.31Å; I48-L116 HydrophobicContact CG1-CB 3.95Å; I48-L116 HydrophobicContact CG1-CD1 4.38Å; I48-L116 PolarHBondContact N-O 2.73Å; I48-L116 PolarHBondContact O-N 3.08Å; A50-L116 HydrophobicContact CB-CD1 4.09Å; I52-L116 HydrophobicContact CD1-CD1 4.38Å; I93-L116 HydrophobicContact CD1-CD1 3.68Å; L106-L116 HydrophobicContact CD1-CD2 4.23Å; L116-I134 HydrophobicContact CD2-CG1 4.3Å; L116-I134 HydrophobicContact CD2-CG2 3.85Å
117	T	98.4	Very high	95	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.2	164.3	82.2	0	0	0	0	110.2	I41 S44 L46 V47 I128 N132 Y133	I41-T117 HydrophobicContact CD1-CG2 3.78Å; S44-T117 WeakPolarHBondContact OG-CB 3.41Å; S44-T117 PolarHBondContact OG-OG1 2.8Å; S44-T117 VanDerWaalsContact OG-OG1 3.14Å; L46-T117 WeakPolarHBondContact O-CA 3.3Å; V47-T117 HydrophobicContact CG1-CG2 4.33Å; V47-T117 HydrophobicContact CG2-CG2 4.09Å; T117-I128 WeakPolarHBondContact O-CG2 3.42Å; T117-N132 VanDerWaalsContact O-CB 3.31Å; T117-N132 WeakPolarHBondContact O-CB 3.46Å; T117-Y133 WeakPolarHBondContact CG2-O 3.22Å; T117-Y133 PolarHBondContact N-O 3.25Å; T117-Y133 PolarHBondContact OG1-N 3Å
118	G	97.6	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	179.9	-176.4	0	0	0	0	0	114.4	A45 L46 F127	A45-G118 PolarHBondContact N-O 3.46Å; L46-G118 PolarHBondContact N-O 2.94Å; L46-G118 PolarHBondContact O-N 3.23Å; G118-F127 WeakPolarHBondContact CA-O 3.28Å
119	Q	97.6	Very high	95.2	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.7	173.1	-62.5	-59.1	-27.2	0	0	110.4	H43 V126 F127	H43-Q119 PolarHBondContact O-NE2 3.13Å; Q119-V126 WeakPolarHBondContact O-CA 3.33Å; Q119-F127 PolarHBondContact N-O 2.04Å; Q119-F127 PolarHBondContact O-N 2.9Å
120	V	96.7	Very high	95.5	Very high	29 Å²	29	49.9 Å²	49.9	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118	170.4	-176.8	0	0	0	0	106.5	A45 L46 K86 V87 V126	A45-V120 HydrophobicContact CB-CB 4.49Å; A45-V120 HydrophobicContact CB-CG2 4.18Å; L46-V120 HydrophobicContact CB-CG2 4.15Å; K86-V120 HydrophobicContact CB-CB 4.41Å; K86-V120 HydrophobicContact CB-CG1 4.42Å; K86-V120 HydrophobicContact CB-CG2 4.14Å; K86-V120 HydrophobicContact CD-CB 4.25Å; K86-V120 HydrophobicContact CD-CG2 4.22Å; V87-V120 HydrophobicContact CG2-CB 4.41Å; V87-V120 HydrophobicContact CG2-CG1 3.53Å; V87-V120 HydrophobicContact CG2-CG2 3.96Å; V120-V126 HydrophobicContact CG2-CG2 4.5Å
121	L	93.3	Very high	95.6	Very high	74 Å²	74	50 Å²	50	39%	0.387	27%	0.268	S	S	.	.			trans	-74.6	165.9	178.5	-58.5	-177	0	0	0	110.7	D123 G124 K125 F127	L121-D123 VanDerWaalsContact CB-OD1 3.31Å; L121-D123 WeakPolarHBondContact CB-OD1 3.2Å; L121-D123 PolarHBondContact O-N 3.2Å; L121-G124 PolarHBondContact O-N 3.41Å; L121-K125 HydrophobicContact CD1-CB 4.37Å; L121-K125 PolarHBondContact N-O 3.01Å; L121-F127 HydrophobicContact CD1-CB 4.1Å; L121-F127 HydrophobicContact CD2-CB 4.16Å; L121-F127 HydrophobicContact CG-CB 4.01Å
122	S	88.9	Confident	95.9	Very high	137 Å²	137	43.3 Å²	43.3	96%	0.958	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.9	-179.3	50.5	0	0	0	0	113.8	G124	S122-G124 PolarHBondContact O-N 3.32Å
123	D	87.4	Confident	95.9	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	6.3	174.8	69.4	-9.4	0	0	0	113.3	L121 K125	L121-D123 VanDerWaalsContact CB-OD1 3.31Å; L121-D123 WeakPolarHBondContact CB-OD1 3.2Å; L121-D123 PolarHBondContact O-N 3.2Å; D123-K125 VanDerWaalsContact C-N 3.26Å; D123-K125 PolarHBondContact O-N 2.62Å; D123-K125 VanDerWaalsContact OD1-CB 3.31Å; D123-K125 WeakPolarHBondContact OD1-CB 3.28Å; D123-K125 WeakPolarHBondContact OD1-CG 3.12Å; D123-K125 PolarHBondContact OD1-N 3.14Å; D123-K125 VanDerWaalsContact OD1-N 3.08Å; D123-K125 WeakPolarHBondContact OD2-CD 3.46Å; D123-K125 WeakPolarHBondContact OD2-CE 3.31Å; D123-K125 WeakPolarHBondContact OD2-CG 3.27Å; D123-K125 IonicContact OD2-NZ 3.27Å; D123-K125 PolarHBondContact OD2-NZ 3.05Å
124	G	89.3	Confident	95.9	Very high	40 Å²	40	38.8 Å²	38.8	41%	0.412	22%	0.218	S	C	.	.	S	Bend	trans	80.7	-1.4	-179.9	0	0	0	0	0	114.4	L121 S122	L121-G124 PolarHBondContact O-N 3.41Å; S122-G124 PolarHBondContact O-N 3.32Å
125	K	92.6	Very high	95.8	Very high	81 Å²	81	40.8 Å²	40.8	35%	0.352	23%	0.228	S	C	.	.			trans	-70.8	140.5	176.5	-67.3	-179.8	-169.1	136.4	0	110.8	Y94 L121 D123	Y94-K125 HydrophobicContact CD2-CB 3.92Å; Y94-K125 HydrophobicContact CD2-CD 4.19Å; Y94-K125 HydrophobicContact CD2-CG 4.21Å; Y94-K125 HydrophobicContact CE1-CD 4.18Å; Y94-K125 HydrophobicContact CE2-CB 3.91Å; Y94-K125 HydrophobicContact CE2-CD 3.84Å; Y94-K125 HydrophobicContact CE2-CG 3.74Å; L121-K125 HydrophobicContact CD1-CB 4.37Å; L121-K125 PolarHBondContact N-O 3.01Å; D123-K125 VanDerWaalsContact C-N 3.26Å; D123-K125 PolarHBondContact O-N 2.62Å; D123-K125 VanDerWaalsContact OD1-CB 3.31Å; D123-K125 WeakPolarHBondContact OD1-CB 3.28Å; D123-K125 WeakPolarHBondContact OD1-CG 3.12Å; D123-K125 PolarHBondContact OD1-N 3.14Å; D123-K125 VanDerWaalsContact OD1-N 3.08Å; D123-K125 WeakPolarHBondContact OD2-CD 3.46Å; D123-K125 WeakPolarHBondContact OD2-CE 3.31Å; D123-K125 WeakPolarHBondContact OD2-CG 3.27Å; D123-K125 IonicContact OD2-NZ 3.27Å; D123-K125 PolarHBondContact OD2-NZ 3.05Å
126	V	97.3	Very high	95.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.4	173.6	176.7	0	0	0	0	109.2	L46 V90 I93 Y94 Q119 V120	L46-V126 HydrophobicContact CD2-CB 4.21Å; L46-V126 HydrophobicContact CD2-CG1 3.35Å; L46-V126 HydrophobicContact CD2-CG2 3.77Å; V90-V126 HydrophobicContact CB-CG2 4.45Å; V90-V126 HydrophobicContact CG1-CB 4.08Å; V90-V126 HydrophobicContact CG1-CG1 4.42Å; V90-V126 HydrophobicContact CG1-CG2 3.63Å; V90-V126 HydrophobicContact CG2-CG2 3.96Å; I93-V126 CarbonylContact C-O 3.58Å; I93-V126 WeakPolarHBondContact CA-O 3.38Å; I93-V126 HydrophobicContact CB-CG1 4.38Å; I93-V126 HydrophobicContact CG2-CB 4.08Å; I93-V126 HydrophobicContact CG2-CG1 3.77Å; Y94-V126 WeakPolarHBondContact CD2-O 3.3Å; Y94-V126 PolarHBondContact N-O 3.24Å; Q119-V126 WeakPolarHBondContact O-CA 3.33Å; V120-V126 HydrophobicContact CG2-CG2 4.5Å
127	F	97.4	Very high	95.8	Very high	47 Å²	47	43.1 Å²	43.1	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.3	-179.5	-176.5	-96.6	0	0	0	110.9	M70 Y94 P96 G118 Q119 L121 H129	M70-F127 HydrophobicContact CE-CD2 3.64Å; M70-F127 HydrophobicContact CE-CE2 3.44Å; M70-F127 VanDerWaalsContact CE-CE2 3.44Å; Y94-F127 WeakPolarHBondContact O-CA 3.31Å; P96-F127 HydrophobicContact CG-CE2 4.07Å; P96-F127 HydrophobicContact CG-CZ 3.78Å; G118-F127 WeakPolarHBondContact CA-O 3.28Å; Q119-F127 PolarHBondContact N-O 2.04Å; Q119-F127 PolarHBondContact O-N 2.9Å; L121-F127 HydrophobicContact CD1-CB 4.1Å; L121-F127 HydrophobicContact CD2-CB 4.16Å; L121-F127 HydrophobicContact CG-CB 4.01Å; F127-H129 HydrophobicContact CE1-CB 4.07Å; F127-H129 AromaticContact CE1-ND1 3.77Å; F127-H129 HydrophobicContact CZ-CB 4.47Å
128	I	98.2	Very high	95.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.268	C	S	.	.			trans	-125.1	155.6	174.2	66.1	164.1	0	0	0	110.3	I93 Y94 T95 L106 T117 N132 I134	I93-I128 HydrophobicContact CD1-CD1 3.75Å; I93-I128 HydrophobicContact CG1-CD1 4.45Å; Y94-I128 PolarHBondContact O-N 3.49Å; T95-I128 WeakPolarHBondContact CA-O 3.39Å; T95-I128 VanDerWaalsContact CB-O 3.31Å; T95-I128 WeakPolarHBondContact CB-O 3.43Å; T95-I128 PolarHBondContact OG1-O 2.91Å; L106-I128 HydrophobicContact CD1-CD1 4.04Å; T117-I128 WeakPolarHBondContact O-CG2 3.42Å; I128-N132 VanDerWaalsContact CA-OD1 3.22Å; I128-N132 WeakPolarHBondContact CA-OD1 3.01Å; I128-I134 HydrophobicContact CB-CD1 4.28Å; I128-I134 HydrophobicContact CD1-CD1 3.96Å
129	H	97.1	Very high	95.6	Very high	47 Å²	47	54.5 Å²	54.5	22%	0.218	30%	0.298	C	S	.	.			trans	-153.1	173	177.8	58.7	-80.5	0	0	0	110.6	C102 F127 C131 N132	C102-H129 HydrophobicContact CB-CB 4Å; C102-H129 CarbonylContact O-C 3.47Å; C102-H129 VanDerWaalsContact O-CA 3.3Å; C102-H129 WeakPolarHBondContact O-CA 3.08Å; C102-H129 WeakPolarHBondContact O-CB 3.47Å; F127-H129 HydrophobicContact CE1-CB 4.07Å; F127-H129 AromaticContact CE1-ND1 3.77Å; F127-H129 HydrophobicContact CZ-CB 4.47Å; H129-C131 PolarHBondContact CD2-N 3.12Å; H129-C131 PolarHBondContact O-N 3.42Å; H129-N132 PolarHBondContact CE1-ND2 3.04Å; H129-N132 PolarHBondContact CE1-OD1 3.29Å; H129-N132 PolarHBondContact N-OD1 3.18Å; H129-N132 PolarHBondContact ND1-OD1 2.95Å; H129-N132 WeakPolarHBondContact O-CB 3.29Å; H129-N132 PolarHBondContact O-N 3.06Å; H129-N132 PolarHBondContact O-OD1 3.07Å
130	L	96.9	Very high	95.6	Very high	89 Å²	89	51.5 Å²	51.5	47%	0.466	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.8	-172.2	-165.9	68	0	0	0	114.5	C30 C102 V104 N132	C30-L130 HydrophobicContact CB-CD2 4.22Å; C102-L130 HydrophobicContact CB-CB 3.96Å; C102-L130 PolarHBondContact O-N 3.46Å; V104-L130 HydrophobicContact CG2-CB 4.29Å; V104-L130 HydrophobicContact CG2-CD1 4.37Å; V104-L130 VanDerWaalsContact CG2-N 3.32Å; L130-N132 VanDerWaalsContact C-N 3.34Å
131	C	96.4	Very high	95.5	Very high	30 Å²	30	51 Å²	51	20%	0.203	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	178.9	-47.4	0	0	0	0	113.8	C32 H40 H129	C32-C131 VanDerWaalsContact CA-SG 3.51Å; C32-C131 HydrophobicContact CB-CB 3.58Å; C32-C131 WeakPolarHBondContact CB-SG 3.43Å; C32-C131 WeakPolarHBondContact SG-CA 3.44Å; C32-C131 WeakPolarHBondContact SG-CB 3.27Å; C32-C131 PolarHBondContact SG-N 2.85Å; C32-C131 VanDerWaalsContact SG-N 3.44Å; C32-C131 CovalentContact SG-SG 2.03Å; C32-C131 PolarHBondContact SG-SG 3.36Å; H40-C131 PolarHBondContact CE1-O 2.89Å; H40-C131 PolarHBondContact ND1-O 2.95Å; H129-C131 PolarHBondContact CD2-N 3.12Å; H129-C131 PolarHBondContact O-N 3.42Å
132	N	97.7	Very high	95.5	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.091	29%	0.294	C	S	.	.	S	Bend	trans	-76.8	161.2	169.8	-64.3	141.4	0	0	0	111.3	T117 I128 H129 L130 I134	T117-N132 VanDerWaalsContact O-CB 3.31Å; T117-N132 WeakPolarHBondContact O-CB 3.46Å; I128-N132 VanDerWaalsContact CA-OD1 3.22Å; I128-N132 WeakPolarHBondContact CA-OD1 3.01Å; H129-N132 PolarHBondContact CE1-ND2 3.04Å; H129-N132 PolarHBondContact CE1-OD1 3.29Å; H129-N132 PolarHBondContact N-OD1 3.18Å; H129-N132 PolarHBondContact ND1-OD1 2.95Å; H129-N132 WeakPolarHBondContact O-CB 3.29Å; H129-N132 PolarHBondContact O-N 3.06Å; H129-N132 PolarHBondContact O-OD1 3.07Å; L130-N132 VanDerWaalsContact C-N 3.34Å; N132-I134 HydrophobicContact CB-CD1 4.06Å; N132-I134 HydrophobicContact CB-CG1 4.06Å; N132-I134 PolarHBondContact O-N 3.22Å
133	Y	97.3	Very high	95.8	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	25%	0.252	C	S	.	.			trans	-84.9	96.4	175.1	-167.6	-118.6	0	0	0	108.7	P37 H40 L115 T117 E135 L140 Q144 Y188	P37-Y133 HydrophobicContact CB-CD1 4.47Å; P37-Y133 HydrophobicContact CB-CE1 3.93Å; P37-Y133 HydrophobicContact CB-CE2 4.4Å; P37-Y133 HydrophobicContact CG-CE1 4.33Å; P37-Y133 HydrophobicContact CG-CE2 4.04Å; H40-Y133 VanDerWaalsContact CB-CB 3.46Å; H40-Y133 HydrophobicContact CB-CG 4.2Å; L115-Y133 HydrophobicContact CD2-CD1 3.7Å; L115-Y133 HydrophobicContact CD2-CE1 3.71Å; T117-Y133 WeakPolarHBondContact CG2-O 3.22Å; T117-Y133 PolarHBondContact N-O 3.25Å; T117-Y133 PolarHBondContact OG1-N 3Å; Y133-E135 HydrophobicContact CD2-CG 4.26Å; Y133-E135 HydrophobicContact CE1-CG 4.28Å; Y133-E135 HydrophobicContact CE2-CG 3.74Å; Y133-L140 HydrophobicContact CE1-CD2 3.98Å; Y133-Q144 PolarHBondContact OH-NE2 2.82Å; Y133-Y188 HydrophobicContact CD2-CE1 4.34Å; Y133-Y188 HydrophobicContact CE2-CD1 4.41Å; Y133-Y188 AromaticContact CE2-CE1 3.94Å; Y133-Y188 HydrophobicContact CE2-CE1 3.94Å
134	I	97.9	Very high	96.2	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.6	-176.1	-64.5	167.4	0	0	0	106.9	V104 L106 L115 L116 I128 N132	V104-I134 HydrophobicContact CB-CD1 4.4Å; V104-I134 HydrophobicContact CG1-CD1 4.1Å; V104-I134 HydrophobicContact CG2-CD1 3.86Å; L106-I134 HydrophobicContact CD2-CG2 3.84Å; L115-I134 WeakPolarHBondContact O-CA 3.43Å; L116-I134 HydrophobicContact CD2-CG1 4.3Å; L116-I134 HydrophobicContact CD2-CG2 3.85Å; I128-I134 HydrophobicContact CB-CD1 4.28Å; I128-I134 HydrophobicContact CD1-CD1 3.96Å; N132-I134 HydrophobicContact CB-CD1 4.06Å; N132-I134 HydrophobicContact CB-CG1 4.06Å; N132-I134 PolarHBondContact O-N 3.22Å
135	E	97.4	Very high	96.4	Very high	56 Å²	56	45 Å²	45	26%	0.262	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.7	-174.6	-72.9	-63.7	166.7	0	0	110.4	Y114 L115 Y133 W137 L140	Y114-E135 CarbonylContact C-O 3.51Å; Y114-E135 WeakPolarHBondContact CA-O 3.22Å; L115-E135 PolarHBondContact N-O 3.4Å; L115-E135 PolarHBondContact O-N 3.49Å; L115-E135 VanDerWaalsContact O-N 3.16Å; Y133-E135 HydrophobicContact CD2-CG 4.26Å; Y133-E135 HydrophobicContact CE1-CG 4.28Å; Y133-E135 HydrophobicContact CE2-CG 3.74Å; E135-W137 PolarHBondContact O-N 2.69Å; E135-L140 HydrophobicContact CB-CD2 3.92Å; E135-L140 HydrophobicContact CG-CD2 4.45Å
136	P	97.9	Very high	96.5	Very high	32 Å²	32	45.4 Å²	45.4	21%	0.208	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	133.9	166.2	-22.4	35	0	0	0	109.7	Q113 Y114 E138 D139	Q113-P136 CarbonylContact O-C 3.51Å; Q113-P136 WeakPolarHBondContact O-CA 3.19Å; Y114-P136 HydrophobicContact CD1-CG 4.44Å; Y114-P136 HydrophobicContact CE1-CG 4.11Å; P136-E138 PolarHBondContact O-N 2.96Å; P136-E138 VanDerWaalsContact O-N 3.13Å; P136-D139 HydrophobicContact CB-CB 4.4Å; P136-D139 WeakPolarHBondContact CB-OD2 3.29Å; P136-D139 VanDerWaalsContact CG-OD2 3.27Å; P136-D139 WeakPolarHBondContact CG-OD2 3.25Å; P136-D139 PolarHBondContact O-N 2.87Å
137	W	98	Very high	96.4	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.076	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-56.5	-35.1	-177.3	-179	-93	0	0	0	112.2	R49 F81 Q113 E135 D139 L140 R145 L148	R49-W137 HydrophobicContact CB-CE3 4.18Å; R49-W137 HydrophobicContact CB-CZ3 4.21Å; R49-W137 HydrophobicContact CG-CD2 4.13Å; R49-W137 HydrophobicContact CG-CE3 3.74Å; R49-W137 HydrophobicContact CG-CZ3 4.19Å; R49-W137 VanDerWaalsContact CZ-CD1 3.43Å; R49-W137 VanDerWaalsContact NH1-CZ2 3.34Å; F81-W137 HydrophobicContact CE2-CH2 4.45Å; F81-W137 HydrophobicContact CE2-CZ3 4.07Å; F81-W137 AromaticContact CZ-CH2 3.8Å; F81-W137 HydrophobicContact CZ-CH2 3.8Å; F81-W137 AromaticContact CZ-CZ3 3.89Å; F81-W137 HydrophobicContact CZ-CZ3 3.89Å; Q113-W137 HydrophobicContact CB-CB 3.92Å; Q113-W137 WeakPolarHBondContact O-CB 3.03Å; Q113-W137 PolarHBondContact O-N 3.34Å; E135-W137 PolarHBondContact O-N 2.69Å; W137-D139 VanDerWaalsContact C-N 3.25Å; W137-D139 PolarHBondContact O-N 3.33Å; W137-L140 HydrophobicContact CD2-CD1 4.3Å; W137-L140 HydrophobicContact CE3-CD1 3.7Å; W137-L140 HydrophobicContact CZ3-CD1 3.9Å; W137-L140 PolarHBondContact O-N 2.56Å; W137-R145 HydrophobicContact CH2-CB 4.35Å; W137-R145 HydrophobicContact CH2-CG 4.16Å; W137-R145 HydrophobicContact CZ2-CB 4.22Å; W137-R145 HydrophobicContact CZ2-CG 3.85Å; W137-R145 PolarHBondContact O-NE 2.84Å; W137-R145 PolarHBondContact O-NH2 3.08Å; W137-L148 HydrophobicContact CH2-CD1 3.91Å; W137-L148 HydrophobicContact CZ3-CD1 3.66Å
138	E	96.6	Very high	96.3	Very high	126 Å²	126	43.3 Å²	43.3	59%	0.589	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-69.7	-22.8	-179.4	-61.7	-49.2	145.4	0	0	113.7	P136 R145	P136-E138 PolarHBondContact O-N 2.96Å; P136-E138 VanDerWaalsContact O-N 3.13Å; E138-R145 VanDerWaalsContact CA-NH2 3.27Å; E138-R145 PolarHBondContact O-NH2 3.13Å; E138-R145 IonicContact OE2-CZ 3.96Å; E138-R145 IonicContact OE2-NH1 3.77Å; E138-R145 IonicContact OE2-NH2 3.26Å; E138-R145 PolarHBondContact OE2-NH2 3.42Å
139	D	96.7	Very high	95.8	Very high	115 Å²	115	46.4 Å²	46.4	62%	0.615	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-87.3	-11.1	-178.1	-61.1	-19.9	0	0	0	112.5	P136 W137	P136-D139 HydrophobicContact CB-CB 4.4Å; P136-D139 WeakPolarHBondContact CB-OD2 3.29Å; P136-D139 VanDerWaalsContact CG-OD2 3.27Å; P136-D139 WeakPolarHBondContact CG-OD2 3.25Å; P136-D139 PolarHBondContact O-N 2.87Å; W137-D139 VanDerWaalsContact C-N 3.25Å; W137-D139 PolarHBondContact O-N 3.33Å
140	L	96.6	Very high	95.2	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	25%	0.25	C	S	.	.	S	Bend	trans	-70.3	134.7	174.1	-62.9	177.1	0	0	0	111.4	L115 Y133 E135 W137 Q144 R145 L148	L115-L140 HydrophobicContact CB-CD1 3.89Å; L115-L140 HydrophobicContact CD2-CD1 3.81Å; L115-L140 HydrophobicContact CD2-CD2 4.05Å; L115-L140 HydrophobicContact CG-CD1 4.41Å; Y133-L140 HydrophobicContact CE1-CD2 3.98Å; E135-L140 HydrophobicContact CB-CD2 3.92Å; E135-L140 HydrophobicContact CG-CD2 4.45Å; W137-L140 HydrophobicContact CD2-CD1 4.3Å; W137-L140 HydrophobicContact CE3-CD1 3.7Å; W137-L140 HydrophobicContact CZ3-CD1 3.9Å; W137-L140 PolarHBondContact O-N 2.56Å; L140-Q144 HydrophobicContact CB-CB 4.44Å; L140-R145 HydrophobicContact CB-CG 3.76Å; L140-R145 HydrophobicContact CD1-CG 4.31Å; L140-R145 PolarHBondContact O-NE 2.03Å; L140-R145 PolarHBondContact O-NH2 2.88Å; L140-L148 HydrophobicContact CD1-CD1 4.35Å
141	S	95	Very high	94.9	Very high	20 Å²	20	47.7 Å²	47.7	14%	0.14	24%	0.238	C	C	.	.			trans	-64.5	159.5	172.9	83	0	0	0	0	111.7	V143 Q144 R145 Q193	S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.35Å; S141-V143 PolarHBondContact OG-N 3.31Å; S141-Q144 PolarHBondContact O-N 3.48Å; S141-Q144 WeakPolarHBondContact OG-CB 2.99Å; S141-Q144 VanDerWaalsContact OG-CG 3.27Å; S141-Q144 WeakPolarHBondContact OG-CG 3.42Å; S141-Q144 PolarHBondContact OG-N 3.11Å; S141-R145 WeakPolarHBondContact O-CG 3.39Å; S141-R145 PolarHBondContact O-N 3.39Å; S141-Q193 VanDerWaalsContact CB-O 3.29Å; S141-Q193 WeakPolarHBondContact CB-O 3.38Å; S141-Q193 PolarHBondContact OG-O 3.19Å
142	L	93.4	Very high	94.9	Very high	122 Å²	122	46.3 Å²	46.3	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-55.7	-46.6	175.4	-178.4	63.5	0	0	0	111.6	Q144 R145 E146	L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.19Å; L142-R145 PolarHBondContact O-N 3.05Å; L142-E146 HydrophobicContact CD1-CG 4.35Å; L142-E146 WeakPolarHBondContact O-CG 3.45Å; L142-E146 PolarHBondContact O-N 2.91Å
143	V	93.6	Very high	94.6	Very high	15 Å²	15	50.6 Å²	50.6	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-41.8	179.7	177.3	0	0	0	0	111.1	S141 E146 S147 V196	S141-V143 VanDerWaalsContact C-N 3.3Å; S141-V143 PolarHBondContact O-N 3.35Å; S141-V143 PolarHBondContact OG-N 3.31Å; V143-E146 PolarHBondContact O-N 3.38Å; V143-S147 WeakPolarHBondContact O-CB 3.46Å; V143-S147 PolarHBondContact O-N 2.83Å; V143-S147 PolarHBondContact O-OG 3.08Å; V143-V196 HydrophobicContact CG1-CG2 4.34Å
144	Q	95.8	Very high	94.4	Very high	10 Å²	10	56 Å²	56	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-49.8	176.1	-73.8	170	-19.4	0	0	110.7	Y133 L140 S141 L142 E146 S147 L148 Y152 A192	Y133-Q144 PolarHBondContact OH-NE2 2.82Å; L140-Q144 HydrophobicContact CB-CB 4.44Å; S141-Q144 PolarHBondContact O-N 3.48Å; S141-Q144 WeakPolarHBondContact OG-CB 2.99Å; S141-Q144 VanDerWaalsContact OG-CG 3.27Å; S141-Q144 WeakPolarHBondContact OG-CG 3.42Å; S141-Q144 PolarHBondContact OG-N 3.11Å; L142-Q144 VanDerWaalsContact C-N 3.33Å; L142-Q144 PolarHBondContact O-N 3.19Å; Q144-E146 VanDerWaalsContact C-N 3.33Å; Q144-E146 PolarHBondContact O-N 3.27Å; Q144-S147 PolarHBondContact O-N 2.82Å; Q144-L148 WeakPolarHBondContact O-CG 3.04Å; Q144-L148 PolarHBondContact O-N 3.09Å; Q144-L148 VanDerWaalsContact O-N 3.12Å; Q144-Y152 WeakPolarHBondContact CG-OH 3.27Å; Q144-A192 PolarHBondContact NE2-O 2.81Å
145	R	95.4	Very high	94.3	Very high	66 Å²	66	55 Å²	55	25%	0.249	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-42.8	180	-66.9	175.3	-168.4	-161	2.2	112.4	W137 E138 L140 S141 L142 N149	W137-R145 HydrophobicContact CH2-CB 4.35Å; W137-R145 HydrophobicContact CH2-CG 4.16Å; W137-R145 HydrophobicContact CZ2-CB 4.22Å; W137-R145 HydrophobicContact CZ2-CG 3.85Å; W137-R145 PolarHBondContact O-NE 2.84Å; W137-R145 PolarHBondContact O-NH2 3.08Å; E138-R145 VanDerWaalsContact CA-NH2 3.27Å; E138-R145 PolarHBondContact O-NH2 3.13Å; E138-R145 IonicContact OE2-CZ 3.96Å; E138-R145 IonicContact OE2-NH1 3.77Å; E138-R145 IonicContact OE2-NH2 3.26Å; E138-R145 PolarHBondContact OE2-NH2 3.42Å; L140-R145 HydrophobicContact CB-CG 3.76Å; L140-R145 HydrophobicContact CD1-CG 4.31Å; L140-R145 PolarHBondContact O-NE 2.03Å; L140-R145 PolarHBondContact O-NH2 2.88Å; S141-R145 WeakPolarHBondContact O-CG 3.39Å; S141-R145 PolarHBondContact O-N 3.39Å; L142-R145 PolarHBondContact O-N 3.05Å; R145-N149 PolarHBondContact O-ND2 3.21Å
146	E	93	Very high	94.2	Very high	88 Å²	88	54.8 Å²	54.8	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-68	-42.9	177.6	-71.3	177.1	168.5	0	0	111.5	L142 V143 Q144 L148 N149	L142-E146 HydrophobicContact CD1-CG 4.35Å; L142-E146 WeakPolarHBondContact O-CG 3.45Å; L142-E146 PolarHBondContact O-N 2.91Å; V143-E146 PolarHBondContact O-N 3.38Å; Q144-E146 VanDerWaalsContact C-N 3.33Å; Q144-E146 PolarHBondContact O-N 3.27Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.14Å; E146-N149 PolarHBondContact O-N 3.48Å; E146-N149 PolarHBondContact O-ND2 3.49Å
147	S	95.1	Very high	94.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-23.6	-177.3	-63.3	0	0	0	0	114.4	V143 Q144 N149 H150 H151 Y152 V196	V143-S147 WeakPolarHBondContact O-CB 3.46Å; V143-S147 PolarHBondContact O-N 2.83Å; V143-S147 PolarHBondContact O-OG 3.08Å; Q144-S147 PolarHBondContact O-N 2.82Å; S147-N149 PolarHBondContact O-N 3.21Å; S147-H150 PolarHBondContact O-N 3.29Å; S147-H151 PolarHBondContact O-N 3.4Å; S147-Y152 VanDerWaalsContact CB-CE2 3.41Å; S147-Y152 VanDerWaalsContact CB-CZ 3.47Å; S147-Y152 PolarHBondContact O-N 3.14Å; S147-V196 VanDerWaalsContact OG-CG2 3.28Å; S147-V196 WeakPolarHBondContact OG-CG2 3.34Å
148	L	95.6	Very high	94.1	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.6	175.2	-72.9	170.7	0	0	0	113.5	I41 V47 F81 L115 W137 L140 Q144 E146 Y152	I41-L148 HydrophobicContact CD1-CD2 3.48Å; I41-L148 VanDerWaalsContact CD1-CD2 3.48Å; I41-L148 HydrophobicContact CG1-CD2 4.11Å; V47-L148 HydrophobicContact CG1-CD2 4.16Å; F81-L148 HydrophobicContact CD1-CB 3.68Å; F81-L148 HydrophobicContact CD2-CD1 4.46Å; F81-L148 HydrophobicContact CE1-CB 3.8Å; F81-L148 HydrophobicContact CE1-CD1 4.31Å; F81-L148 HydrophobicContact CE2-CD1 4.02Å; F81-L148 HydrophobicContact CG-CB 4.06Å; F81-L148 HydrophobicContact CZ-CB 4.28Å; F81-L148 HydrophobicContact CZ-CD1 3.94Å; L115-L148 HydrophobicContact CD1-CD1 3.88Å; L115-L148 HydrophobicContact CD1-CD2 3.93Å; L115-L148 HydrophobicContact CD2-CD1 4.19Å; L115-L148 HydrophobicContact CD2-CD2 3.97Å; W137-L148 HydrophobicContact CH2-CD1 3.91Å; W137-L148 HydrophobicContact CZ3-CD1 3.66Å; L140-L148 HydrophobicContact CD1-CD1 4.35Å; Q144-L148 WeakPolarHBondContact O-CG 3.04Å; Q144-L148 PolarHBondContact O-N 3.09Å; Q144-L148 VanDerWaalsContact O-N 3.12Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.14Å; L148-Y152 HydrophobicContact CD2-CD2 4.37Å
149	N	89.2	Confident	94.1	Very high	66 Å²	66	54.3 Å²	54.3	35%	0.353	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-33.5	-174.9	-61.7	-80	0	0	0	113.2	K79 R145 E146 S147	K79-N149 WeakPolarHBondContact CE-OD1 3.35Å; K79-N149 PolarHBondContact NZ-OD1 3.5Å; R145-N149 PolarHBondContact O-ND2 3.21Å; E146-N149 PolarHBondContact O-N 3.48Å; E146-N149 PolarHBondContact O-ND2 3.49Å; S147-N149 PolarHBondContact O-N 3.21Å
150	H	83.7	Confident	94.1	Very high	117 Å²	117	49.1 Å²	49.1	54%	0.542	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-56.2	-170.6	-61.5	94.4	0	0	0	112	S147 Y152 H153 L154	S147-H150 PolarHBondContact O-N 3.29Å; H150-Y152 PolarHBondContact O-N 3.46Å; H150-H153 PolarHBondContact O-N 3.44Å; H150-L154 HydrophobicContact CB-CD1 4.14Å; H150-L154 WeakPolarHBondContact O-CB 3.37Å; H150-L154 VanDerWaalsContact O-CG 3.26Å; H150-L154 WeakPolarHBondContact O-CG 3.26Å; H150-L154 PolarHBondContact O-N 2.83Å
151	H	91.5	Very high	94.1	Very high	46 Å²	46	50.6 Å²	50.6	21%	0.213	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-43.3	-165.2	-59.4	-64.2	0	0	0	113.9	S147 N155 V196 L212	S147-H151 PolarHBondContact O-N 3.4Å; H151-N155 WeakPolarHBondContact O-CB 3.02Å; H151-N155 PolarHBondContact O-N 3.36Å; H151-N155 PolarHBondContact O-ND2 3.48Å; H151-V196 HydrophobicContact CB-CG1 4.09Å; H151-V196 HydrophobicContact CB-CG2 4.3Å; H151-L212 WeakPolarHBondContact CE1-CD1 3.25Å; H151-L212 WeakPolarHBondContact NE2-CD1 3.42Å
152	Y	95.3	Very high	94.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-47.4	-179.4	-67.6	-37.6	0	0	0	112.3	Q38 I41 Q144 S147 L148 H150 N155 C156 V196	Q38-Y152 HydrophobicContact CB-CD1 3.41Å; Q38-Y152 VanDerWaalsContact CB-CD1 3.41Å; Q38-Y152 HydrophobicContact CB-CE1 3.7Å; Q38-Y152 HydrophobicContact CB-CG 4.21Å; Q38-Y152 HydrophobicContact CG-CD1 3.59Å; Q38-Y152 HydrophobicContact CG-CE1 4.33Å; Q38-Y152 HydrophobicContact CG-CG 4.29Å; I41-Y152 HydrophobicContact CB-CD2 4.48Å; I41-Y152 HydrophobicContact CG1-CD2 3.97Å; Q144-Y152 WeakPolarHBondContact CG-OH 3.27Å; S147-Y152 VanDerWaalsContact CB-CE2 3.41Å; S147-Y152 VanDerWaalsContact CB-CZ 3.47Å; S147-Y152 PolarHBondContact O-N 3.14Å; L148-Y152 HydrophobicContact CD2-CD2 4.37Å; H150-Y152 PolarHBondContact O-N 3.46Å; Y152-N155 PolarHBondContact O-N 3.3Å; Y152-C156 PolarHBondContact O-N 2.98Å; Y152-C156 PolarHBondContact O-SG 2.02Å; Y152-V196 HydrophobicContact CD1-CG1 4.07Å; Y152-V196 HydrophobicContact CD1-CG2 4.44Å; Y152-V196 HydrophobicContact CE1-CG1 4.27Å; Y152-V196 HydrophobicContact CE1-CG2 3.95Å
153	H	91.8	Very high	94.1	Very high	107 Å²	107	45.5 Å²	45.5	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-66.4	-44.2	-176.5	-175.9	55	0	0	0	112.7	H150 N155 C156	H150-H153 PolarHBondContact O-N 3.44Å; H153-N155 PolarHBondContact O-N 3.03Å; H153-C156 PolarHBondContact O-N 3.41Å; H153-C156 PolarHBondContact O-SG 3.02Å; H153-C156 VanDerWaalsContact O-SG 3.38Å
154	L	92.4	Very high	94.1	Very high	123 Å²	123	49.6 Å²	49.6	64%	0.644	26%	0.256	S	S	*	.	H	α-helix	trans	-64.5	-22.8	-179.5	-68	174	0	0	0	113	H150	H150-L154 HydrophobicContact CB-CD1 4.14Å; H150-L154 WeakPolarHBondContact O-CB 3.37Å; H150-L154 VanDerWaalsContact O-CG 3.26Å; H150-L154 WeakPolarHBondContact O-CG 3.26Å; H150-L154 PolarHBondContact O-N 2.83Å
155	N	96.3	Very high	94	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.059	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	21.2	-176.3	-61.7	-74.9	0	0	0	113.3	Q38 H151 Y152 H153 G157 C158 C197 M198 K199	Q38-N155 PolarHBondContact NE2-O 2.94Å; Q38-N155 VanDerWaalsContact NE2-O 3.08Å; H151-N155 WeakPolarHBondContact O-CB 3.02Å; H151-N155 PolarHBondContact O-N 3.36Å; H151-N155 PolarHBondContact O-ND2 3.48Å; Y152-N155 PolarHBondContact O-N 3.3Å; H153-N155 PolarHBondContact O-N 3.03Å; N155-G157 PolarHBondContact O-N 3.15Å; N155-C158 PolarHBondContact O-N 3.44Å; N155-C158 VanDerWaalsContact O-N 3.11Å; N155-C197 VanDerWaalsContact CB-O 3.26Å; N155-C197 WeakPolarHBondContact CB-O 3.41Å; N155-M198 WeakPolarHBondContact OD1-CA 3.02Å; N155-K199 PolarHBondContact OD1-N 2.9Å
156	C	96.3	Very high	93.9	Very high	50 Å²	50	56 Å²	56	34%	0.338	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.1	174.3	-67.4	0	0	0	0	114.4	C42 Y152 H153 C158	C42-C156 WeakPolarHBondContact CA-SG 3.3Å; C42-C156 HydrophobicContact CB-CB 3.72Å; C42-C156 WeakPolarHBondContact CB-SG 3.45Å; C42-C156 WeakPolarHBondContact SG-CA 2.98Å; C42-C156 WeakPolarHBondContact SG-CB 3.41Å; C42-C156 CovalentContact SG-SG 2.04Å; C42-C156 PolarHBondContact SG-SG 3.2Å; Y152-C156 PolarHBondContact O-N 2.98Å; Y152-C156 PolarHBondContact O-SG 2.02Å; H153-C156 PolarHBondContact O-N 3.41Å; H153-C156 PolarHBondContact O-SG 3.02Å; H153-C156 VanDerWaalsContact O-SG 3.38Å; C156-C158 PolarHBondContact O-N 3.04Å
157	G	95.5	Very high	93.9	Very high	51 Å²	51	57.7 Å²	57.7	53%	0.526	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.7	171.4	0	0	0	0	0	114.2	N155	N155-G157 PolarHBondContact O-N 3.15Å
158	C	97.3	Very high	93.7	Very high	12 Å²	12	59.5 Å²	59.5	8%	0.081	33%	0.334	C	S	.	.	S	Bend	trans	-89.5	136.1	173.5	-64.5	0	0	0	0	111.1	N155 C156 N174 C197 M198 K199 C205	N155-C158 PolarHBondContact O-N 3.44Å; N155-C158 VanDerWaalsContact O-N 3.11Å; C156-C158 PolarHBondContact O-N 3.04Å; C158-N174 WeakPolarHBondContact CA-O 3.24Å; C158-C197 HydrophobicContact CB-CB 4.41Å; C158-C197 WeakPolarHBondContact CB-SG 3.42Å; C158-M198 VanDerWaalsContact SG-C 3.59Å; C158-K199 VanDerWaalsContact SG-CA 3.54Å; C158-K199 VanDerWaalsContact SG-CB 3.58Å; C158-K199 PolarHBondContact SG-N 2.84Å; C158-K199 VanDerWaalsContact SG-N 3.39Å; C158-C205 WeakPolarHBondContact CA-SG 3.46Å; C158-C205 HydrophobicContact CB-CB 3.67Å; C158-C205 WeakPolarHBondContact CB-SG 3.36Å; C158-C205 WeakPolarHBondContact SG-CB 3.36Å; C158-C205 CovalentContact SG-SG 2.03Å; C158-C205 PolarHBondContact SG-SG 3.03Å
159	Q	96.8	Very high	93.4	Very high	105 Å²	105	65.7 Å²	65.7	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.7	175.4	179.8	169	-23.8	0	0	109.8	N174 E175 C176	Q159-N174 PolarHBondContact N-O 2.98Å; Q159-E175 HydrophobicContact CB-CG 3.99Å; Q159-E175 HydrophobicContact CG-CG 4.17Å; Q159-E175 CarbonylContact O-C 3.58Å; Q159-E175 VanDerWaalsContact O-CA 3.23Å; Q159-E175 WeakPolarHBondContact O-CA 3.44Å; Q159-C176 PolarHBondContact O-N 3.44Å
160	I	97.3	Very high	93.4	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.036	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.7	175.1	-65	166.1	0	0	0	107.7	H36 Q38 Q39 C176 W178 C197 W207	H36-I160 HydrophobicContact CB-CD1 3.98Å; H36-I160 HydrophobicContact CB-CG2 3.98Å; Q38-I160 HydrophobicContact CB-CD1 3.86Å; Q38-I160 HydrophobicContact CG-CD1 4.13Å; Q39-I160 HydrophobicContact CG-CB 3.97Å; Q39-I160 HydrophobicContact CG-CD1 4.1Å; Q39-I160 HydrophobicContact CG-CG1 4.45Å; Q39-I160 PolarHBondContact NE2-O 2.94Å; I160-C176 WeakPolarHBondContact CA-O 3.42Å; I160-C176 HydrophobicContact CG1-CB 4.45Å; I160-W178 HydrophobicContact CG2-CB 3.71Å; I160-W178 HydrophobicContact CG2-CG 4.39Å; I160-C197 HydrophobicContact CD1-CB 3.77Å; I160-C197 HydrophobicContact CG1-CB 3.66Å; I160-W207 HydrophobicContact CD1-CH2 3.85Å; I160-W207 HydrophobicContact CD1-CZ3 4.32Å; I160-W207 HydrophobicContact CG1-CH2 4.07Å; I160-W207 HydrophobicContact CG1-CZ2 4.5Å; I160-W207 HydrophobicContact CG2-CH2 3.99Å; I160-W207 HydrophobicContact CG2-CZ2 3.98Å
161	T	95.5	Very high	93.6	Very high	38 Å²	38	66.9 Å²	66.9	23%	0.233	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117	-174.6	-59.5	0	0	0	0	109.4	E175 C176 L177 W178	T161-E175 PolarHBondContact OG1-OE2 2.82Å; T161-C176 PolarHBondContact N-O 3.44Å; T161-L177 HydrophobicContact CG2-CD1 4.42Å; T161-W178 PolarHBondContact O-N 3.2Å
162	T	95	Very high	93.7	Very high	32 Å²	32	66 Å²	66	20%	0.196	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131	179.4	-45	0	0	0	0	111.5	Y164 W178	T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.4Å; T162-Y164 HydrophobicContact CG2-CE1 3.8Å; T162-Y164 HydrophobicContact CG2-CE2 3.94Å; T162-W178 HydrophobicContact CG2-CE3 3.75Å; T162-W178 HydrophobicContact CG2-CZ3 4.15Å; T162-W178 VanDerWaalsContact OG1-CE3 3.3Å
163	C	94.7	Very high	93.7	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.02	41%	0.412	C	S	.	.			trans	-103.7	108	174.8	178.5	0	0	0	0	110.7	C168 L177 W178 T179 L182	C163-C168 WeakPolarHBondContact CA-SG 3.21Å; C163-C168 HydrophobicContact CB-CB 3.7Å; C163-C168 WeakPolarHBondContact CB-SG 3.45Å; C163-C168 WeakPolarHBondContact SG-CB 3.27Å; C163-C168 CovalentContact SG-SG 2.02Å; C163-C168 PolarHBondContact SG-SG 2.86Å; C163-L177 HydrophobicContact CB-CD1 3.99Å; C163-L177 HydrophobicContact CB-CD2 4.28Å; C163-L177 HydrophobicContact CB-CG 4.04Å; C163-W178 WeakPolarHBondContact CB-O 3.46Å; C163-W178 PolarHBondContact N-O 2.84Å; C163-T179 HydrophobicContact CB-CG2 4.2Å; C163-L182 VanDerWaalsContact SG-CD2 3.59Å
164	Y	92.9	Very high	93.9	Very high	100 Å²	100	67.6 Å²	67.6	39%	0.392	40%	0.402	S	S	.	.			trans	-90	-37.8	178.2	-63.5	-73.8	0	0	0	113.4	P34 T162 W181	P34-Y164 WeakPolarHBondContact CD-OH 3.24Å; P34-Y164 HydrophobicContact CG-CE1 4.27Å; P34-Y164 WeakPolarHBondContact CG-OH 3.49Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.4Å; T162-Y164 HydrophobicContact CG2-CE1 3.8Å; T162-Y164 HydrophobicContact CG2-CE2 3.94Å; Y164-W181 HydrophobicContact CD1-CB 4.44Å; Y164-W181 AromaticContact CD1-CD1 3.63Å; Y164-W181 HydrophobicContact CD1-CD2 4.5Å; Y164-W181 AromaticContact CD1-CG 3.92Å; Y164-W181 HydrophobicContact CD1-CG 3.92Å; Y164-W181 AromaticContact CD1-NE1 3.93Å; Y164-W181 HydrophobicContact CE1-CG 4.5Å
165	T	93.2	Very high	94.1	Very high	100 Å²	100	62.5 Å²	62.5	61%	0.613	37%	0.374	S	S	*	.	S	Bend	trans	-150.7	144.7	-175	53.4	0	0	0	0	110.3	C168	T165-C168 PolarHBondContact O-SG 3.35Å
166	V	93.5	Very high	94.1	Very high	110 Å²	110	62.1 Å²	62.1	67%	0.667	37%	0.373	S	S	*	.	S	Bend	trans	-71.1	149	176	-65.7	0	0	0	0	112.2	L182	V166-L182 HydrophobicContact CG1-CD1 4.2Å; V166-L182 HydrophobicContact CG1-CD2 3.78Å
167	P	92.5	Very high	94.1	Very high	125 Å²	125	61.7 Å²	61.7	81%	0.812	37%	0.366	S	S	*	.			cis	-82	140.3	-2.8	33	-33.2	0	0	0	112.6
168	C	91.4	Very high	94.2	Very high	38 Å²	38	59.3 Å²	59.3	26%	0.257	34%	0.342	S	S	.	.			trans	-118.8	123.7	171.8	-60.8	0	0	0	0	108.7	C163 T165 L177	C163-C168 WeakPolarHBondContact CA-SG 3.21Å; C163-C168 HydrophobicContact CB-CB 3.7Å; C163-C168 WeakPolarHBondContact CB-SG 3.45Å; C163-C168 WeakPolarHBondContact SG-CB 3.27Å; C163-C168 CovalentContact SG-SG 2.02Å; C163-C168 PolarHBondContact SG-SG 2.86Å; T165-C168 PolarHBondContact O-SG 3.35Å; C168-L177 HydrophobicContact CB-CD1 3.9Å; C168-L177 HydrophobicContact CB-CD2 3.76Å; C168-L177 HydrophobicContact CB-CG 4.39Å
169	I	88.9	Confident	94.2	Very high	137 Å²	137	59.9 Å²	59.9	70%	0.703	35%	0.345	S	S	*	.			trans	-127.3	144.6	179.1	55	172.5	0	0	0	109.3
170	I	89.4	Confident	94.2	Very high	98 Å²	98	55 Å²	55	50%	0.503	32%	0.322	S	S	.	.			trans	-71.3	132.9	169.8	54.1	176.3	0	0	0	108.8	E175 L177	I170-E175 HydrophobicContact CB-CB 4.25Å; I170-E175 HydrophobicContact CG2-CB 4.11Å; I170-L177 HydrophobicContact CG2-CB 4.15Å
171	S	89.1	Confident	94	Very high	109 Å²	109	58.9 Å²	58.9	76%	0.762	34%	0.336	S	S	*	.	S	Bend	trans	-93	-23	-179.4	-58.4	0	0	0	0	112.4	E175	S171-E175 PolarHBondContact N-OE2 3.39Å
172	A	93.6	Very high	94	Very high	28 Å²	28	59.2 Å²	59.2	23%	0.231	34%	0.336	C	S	.	.	S	Bend	trans	-137.1	153.5	-177.7	0	0	0	0	0	112	N174 E175	A172-N174 VanDerWaalsContact CB-OD1 3.24Å; A172-N174 WeakPolarHBondContact CB-OD1 3.45Å; A172-N174 PolarHBondContact O-N 3.42Å; A172-E175 HydrophobicContact CB-CG 4.21Å; A172-E175 WeakPolarHBondContact CB-OE1 3.37Å; A172-E175 PolarHBondContact N-OE1 3.39Å; A172-E175 WeakPolarHBondContact O-CB 3.17Å; A172-E175 PolarHBondContact O-N 2.68Å
173	P	94	Very high	94	Very high	91 Å²	91	63.8 Å²	63.8	59%	0.591	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.8	-179.1	25.3	-34.2	0	0	0	113.7	E175 T204 C205	P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 2.93Å; P173-T204 HydrophobicContact CB-CG2 4.07Å; P173-T204 CarbonylContact O-C 3.1Å; P173-T204 VanDerWaalsContact O-CA 3.24Å; P173-T204 WeakPolarHBondContact O-CA 3.36Å; P173-C205 PolarHBondContact O-N 3.26Å
174	N	95.8	Very high	94	Very high	52 Å²	52	67.8 Å²	67.8	28%	0.278	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	19.6	177.9	69.2	-49.5	0	0	0	113.2	C158 Q159 A172 C205	C158-N174 WeakPolarHBondContact CA-O 3.24Å; Q159-N174 PolarHBondContact N-O 2.98Å; A172-N174 VanDerWaalsContact CB-OD1 3.24Å; A172-N174 WeakPolarHBondContact CB-OD1 3.45Å; A172-N174 PolarHBondContact O-N 3.42Å; N174-C205 VanDerWaalsContact CA-SG 3.56Å; N174-C205 PolarHBondContact O-SG 3.44Å
175	E	96.8	Very high	93.9	Very high	16 Å²	16	70.9 Å²	70.9	8%	0.075	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.8	179.1	-72.5	179.8	-139.7	0	0	113.4	Q159 T161 I170 S171 A172 P173	Q159-E175 HydrophobicContact CB-CG 3.99Å; Q159-E175 HydrophobicContact CG-CG 4.17Å; Q159-E175 CarbonylContact O-C 3.58Å; Q159-E175 VanDerWaalsContact O-CA 3.23Å; Q159-E175 WeakPolarHBondContact O-CA 3.44Å; T161-E175 PolarHBondContact OG1-OE2 2.82Å; I170-E175 HydrophobicContact CB-CB 4.25Å; I170-E175 HydrophobicContact CG2-CB 4.11Å; S171-E175 PolarHBondContact N-OE2 3.39Å; A172-E175 HydrophobicContact CB-CG 4.21Å; A172-E175 WeakPolarHBondContact CB-OE1 3.37Å; A172-E175 PolarHBondContact N-OE1 3.39Å; A172-E175 WeakPolarHBondContact O-CB 3.17Å; A172-E175 PolarHBondContact O-N 2.68Å; P173-E175 VanDerWaalsContact C-N 3.29Å; P173-E175 PolarHBondContact O-N 2.93Å
176	C	97.3	Very high	93.9	Very high	3 Å²	3	71 Å²	71	2%	0.02	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.4	163.6	-58.6	0	0	0	0	110.7	Q159 I160 T161 W178 C197 S206 W207	Q159-C176 PolarHBondContact O-N 3.44Å; I160-C176 WeakPolarHBondContact CA-O 3.42Å; I160-C176 HydrophobicContact CG1-CB 4.45Å; T161-C176 PolarHBondContact N-O 3.44Å; C176-W178 PolarHBondContact O-N 2.85Å; C176-C197 HydrophobicContact CB-CB 3.66Å; C176-C197 WeakPolarHBondContact CB-SG 3.47Å; C176-C197 VanDerWaalsContact SG-CA 3.54Å; C176-C197 WeakPolarHBondContact SG-CB 3.05Å; C176-C197 CovalentContact SG-SG 2.02Å; C176-C197 PolarHBondContact SG-SG 3.48Å; C176-S206 VanDerWaalsContact SG-CA 3.58Å; C176-W207 HydrophobicContact CB-CD2 3.92Å; C176-W207 HydrophobicContact CB-CG 4.27Å; C176-W207 HydrophobicContact CB-CH2 4.5Å; C176-W207 HydrophobicContact CB-CZ2 3.87Å
177	L	96.5	Very high	93.5	Very high	40 Å²	40	68 Å²	68	21%	0.209	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.3	179.1	-167.7	73.6	0	0	0	111.5	T161 C163 C168 I170 T179 W207	T161-L177 HydrophobicContact CG2-CD1 4.42Å; C163-L177 HydrophobicContact CB-CD1 3.99Å; C163-L177 HydrophobicContact CB-CD2 4.28Å; C163-L177 HydrophobicContact CB-CG 4.04Å; C168-L177 HydrophobicContact CB-CD1 3.9Å; C168-L177 HydrophobicContact CB-CD2 3.76Å; C168-L177 HydrophobicContact CB-CG 4.39Å; I170-L177 HydrophobicContact CG2-CB 4.15Å; L177-T179 HydrophobicContact CD2-CG2 3.87Å; L177-T179 HydrophobicContact CG-CG2 4.02Å; L177-W207 PolarHBondContact O-NE1 3.38Å
178	W	97.3	Very high	93.6	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.9	177.7	-176.4	35.4	0	0	0	110.8	H36 I160 T161 T162 C163 C176 D180 L187 Q191 A192 W207	H36-W178 HydrophobicContact CB-CD2 4.37Å; H36-W178 HydrophobicContact CB-CE3 4.37Å; I160-W178 HydrophobicContact CG2-CB 3.71Å; I160-W178 HydrophobicContact CG2-CG 4.39Å; T161-W178 PolarHBondContact O-N 3.2Å; T162-W178 HydrophobicContact CG2-CE3 3.75Å; T162-W178 HydrophobicContact CG2-CZ3 4.15Å; T162-W178 VanDerWaalsContact OG1-CE3 3.3Å; C163-W178 WeakPolarHBondContact CB-O 3.46Å; C163-W178 PolarHBondContact N-O 2.84Å; C176-W178 PolarHBondContact O-N 2.85Å; W178-D180 PolarHBondContact NE1-OD2 2.87Å; W178-L187 HydrophobicContact CH2-CB 4.45Å; W178-L187 HydrophobicContact CH2-CD2 4.3Å; W178-L187 WeakPolarHBondContact CZ2-O 3.23Å; W178-Q191 VanDerWaalsContact CD1-OE1 3.32Å; W178-A192 HydrophobicContact CZ2-CB 4.23Å; W178-W207 HydrophobicContact CB-CZ2 4.09Å
179	T	96.2	Very high	93.8	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.147	32%	0.323	C	S	.	.			trans	-114.8	4.8	-168	55.6	0	0	0	0	114	C163 L177 W181 L182 L183 Q191	C163-T179 HydrophobicContact CB-CG2 4.2Å; L177-T179 HydrophobicContact CD2-CG2 3.87Å; L177-T179 HydrophobicContact CG-CG2 4.02Å; T179-W181 VanDerWaalsContact C-N 3.27Å; T179-W181 PolarHBondContact O-N 2.02Å; T179-L182 PolarHBondContact O-N 2.03Å; T179-L183 WeakPolarHBondContact O-CG 3.15Å; T179-L183 PolarHBondContact O-N 3.2Å; T179-Q191 PolarHBondContact OG1-NE2 3.4Å; T179-Q191 PolarHBondContact OG1-OE1 3.21Å
180	D	96.6	Very high	94	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.011	31%	0.307	C	S	.	.	H	α-helix	trans	-54.4	-44	-178.6	-72.6	-10.2	0	0	0	111.7	W178 L182 E184 R185 K186 L187 G189 Y190 Q191 A192	W178-D180 PolarHBondContact NE1-OD2 2.87Å; D180-L182 PolarHBondContact O-N 3.4Å; D180-E184 WeakPolarHBondContact O-CA 2.96Å; D180-E184 WeakPolarHBondContact O-CB 3.39Å; D180-E184 PolarHBondContact O-N 3.31Å; D180-R185 PolarHBondContact O-N 2.77Å; D180-K186 CarbonylContact C-O 3.58Å; D180-K186 VanDerWaalsContact CB-O 3.27Å; D180-K186 WeakPolarHBondContact CB-O 2.92Å; D180-L187 WeakPolarHBondContact CB-O 3.35Å; D180-G189 WeakPolarHBondContact OD2-CA 3.5Å; D180-G189 PolarHBondContact OD2-N 2.84Å; D180-G189 VanDerWaalsContact OD2-N 3.17Å; D180-Y190 PolarHBondContact OD1-N 3.17Å; D180-Q191 WeakPolarHBondContact OD1-CB 3.21Å; D180-Q191 WeakPolarHBondContact OD1-CG 3.24Å; D180-Q191 PolarHBondContact OD1-N 3.23Å; D180-Q191 PolarHBondContact OD2-N 3.5Å; D180-A192 WeakPolarHBondContact OD2-CB 3.47Å; D180-A192 PolarHBondContact OD2-N 2.93Å
181	W	94.8	Very high	94.3	Very high	89 Å²	89	58.1 Å²	58.1	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176.6	-176.7	-94.4	0	0	0	113	Y164 T179 R185 K186 L187	Y164-W181 HydrophobicContact CD1-CB 4.44Å; Y164-W181 AromaticContact CD1-CD1 3.63Å; Y164-W181 HydrophobicContact CD1-CD2 4.5Å; Y164-W181 AromaticContact CD1-CG 3.92Å; Y164-W181 HydrophobicContact CD1-CG 3.92Å; Y164-W181 AromaticContact CD1-NE1 3.93Å; Y164-W181 HydrophobicContact CE1-CG 4.5Å; T179-W181 VanDerWaalsContact C-N 3.27Å; T179-W181 PolarHBondContact O-N 2.02Å; W181-R185 WeakPolarHBondContact O-CA 3.03Å; W181-R185 PolarHBondContact O-N 3.15Å; W181-K186 PolarHBondContact N-O 2.84Å; W181-L187 HydrophobicContact CB-CD2 4.32Å; W181-L187 HydrophobicContact CE3-CD2 4Å; W181-L187 HydrophobicContact CE3-CG 3.82Å; W181-L187 HydrophobicContact CZ3-CG 4.23Å
182	L	95	Very high	94.7	Very high	44 Å²	44	52.9 Å²	52.9	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-45	-179	178.7	67.6	0	0	0	111.5	C163 V166 T179 D180	C163-L182 VanDerWaalsContact SG-CD2 3.59Å; V166-L182 HydrophobicContact CG1-CD1 4.2Å; V166-L182 HydrophobicContact CG1-CD2 3.78Å; T179-L182 PolarHBondContact O-N 2.03Å; D180-L182 PolarHBondContact O-N 3.4Å
183	L	94.1	Very high	94.7	Very high	128 Å²	128	54.7 Å²	54.7	67%	0.67	26%	0.256	S	S	*	.	H	α-helix	trans	-87.2	-38.7	-171.3	-61.2	179.6	0	0	0	113.1	T179	T179-L183 WeakPolarHBondContact O-CG 3.15Å; T179-L183 PolarHBondContact O-N 3.2Å
184	E	94.6	Very high	94.8	Very high	87 Å²	87	52.9 Å²	52.9	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-112.9	-7.7	-171.7	-60	177.4	-129.2	0	0	113.1	D180 K186 G189 Y190	D180-E184 WeakPolarHBondContact O-CA 2.96Å; D180-E184 WeakPolarHBondContact O-CB 3.39Å; D180-E184 PolarHBondContact O-N 3.31Å; E184-K186 HydrophobicContact CB-CB 4.11Å; E184-K186 PolarHBondContact O-N 2.83Å; E184-G189 WeakPolarHBondContact OE2-CA 3.38Å; E184-Y190 WeakPolarHBondContact OE1-CB 3.27Å; E184-Y190 PolarHBondContact OE1-N 3.3Å
185	R	92.4	Very high	94.8	Very high	165 Å²	165	53 Å²	53	62%	0.623	24%	0.237	S	C	*	.	S	Bend	trans	53.9	31.5	-170	-58.1	-64.3	-174.2	178.6	0.7	112.4	D180 W181	D180-R185 PolarHBondContact O-N 2.77Å; W181-R185 WeakPolarHBondContact O-CA 3.03Å; W181-R185 PolarHBondContact O-N 3.15Å
186	K	92.3	Very high	94.8	Very high	102 Å²	102	52.3 Å²	52.3	44%	0.443	23%	0.233	S	C	.	.			trans	-137.7	130.5	-176.9	-175.5	-176.7	179	-167.1	0	108.7	D180 W181 E184 Y188	D180-K186 CarbonylContact C-O 3.58Å; D180-K186 VanDerWaalsContact CB-O 3.27Å; D180-K186 WeakPolarHBondContact CB-O 2.92Å; W181-K186 PolarHBondContact N-O 2.84Å; E184-K186 HydrophobicContact CB-CB 4.11Å; E184-K186 PolarHBondContact O-N 2.83Å; K186-Y188 WeakPolarHBondContact CE-O 3.42Å; K186-Y188 PolarHBondContact NZ-O 3.34Å
187	L	85.9	Confident	94.8	Very high	48 Å²	48	52.1 Å²	52.1	25%	0.251	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-54.2	-179.9	-74	167.2	0	0	0	111.2	P34 W178 D180 W181 G189	P34-L187 HydrophobicContact CB-CD1 3.51Å; P34-L187 HydrophobicContact CB-CD2 3.56Å; P34-L187 HydrophobicContact CB-CG 4.09Å; P34-L187 HydrophobicContact CG-CD1 4.19Å; P34-L187 HydrophobicContact CG-CD2 3.8Å; W178-L187 HydrophobicContact CH2-CB 4.45Å; W178-L187 HydrophobicContact CH2-CD2 4.3Å; W178-L187 WeakPolarHBondContact CZ2-O 3.23Å; D180-L187 WeakPolarHBondContact CB-O 3.35Å; W181-L187 HydrophobicContact CB-CD2 4.32Å; W181-L187 HydrophobicContact CE3-CD2 4Å; W181-L187 HydrophobicContact CE3-CG 3.82Å; W181-L187 HydrophobicContact CZ3-CG 4.23Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.05Å
188	Y	93.4	Very high	94.7	Very high	72 Å²	72	52.2 Å²	52.2	28%	0.282	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	61.4	178.1	-55.2	-69.9	0	0	0	111.8	P37 H40 Y133 K186 A192 Q193	P37-Y188 HydrophobicContact CG-CD1 4.36Å; P37-Y188 HydrophobicContact CG-CE1 4.47Å; H40-Y188 PolarHBondContact NE2-OH 3.03Å; Y133-Y188 HydrophobicContact CD2-CE1 4.34Å; Y133-Y188 HydrophobicContact CE2-CD1 4.41Å; Y133-Y188 AromaticContact CE2-CE1 3.94Å; Y133-Y188 HydrophobicContact CE2-CE1 3.94Å; K186-Y188 WeakPolarHBondContact CE-O 3.42Å; K186-Y188 PolarHBondContact NZ-O 3.34Å; Y188-A192 HydrophobicContact CD1-CB 4.16Å; Y188-Q193 PolarHBondContact O-NE2 3.46Å
189	G	94.8	Very high	94.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	-84.8	-149.8	179.5	0	0	0	0	0	113.2	D180 E184 L187 Q193	D180-G189 WeakPolarHBondContact OD2-CA 3.5Å; D180-G189 PolarHBondContact OD2-N 2.84Å; D180-G189 VanDerWaalsContact OD2-N 3.17Å; E184-G189 WeakPolarHBondContact OE2-CA 3.38Å; L187-G189 VanDerWaalsContact C-N 3.26Å; L187-G189 PolarHBondContact O-N 3.05Å; G189-Q193 WeakPolarHBondContact O-CB 3.45Å; G189-Q193 VanDerWaalsContact O-CG 3.27Å; G189-Q193 WeakPolarHBondContact O-CG 3.38Å; G189-Q193 PolarHBondContact O-N 3.49Å
190	Y	94.7	Very high	94.5	Very high	89 Å²	89	60.5 Å²	60.5	35%	0.349	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-40.3	-173.2	-168.1	-104.8	0	0	0	113.4	D180 E184 Q193 H194 Y195 R209	D180-Y190 PolarHBondContact OD1-N 3.17Å; E184-Y190 WeakPolarHBondContact OE1-CB 3.27Å; E184-Y190 PolarHBondContact OE1-N 3.3Å; Y190-Q193 PolarHBondContact O-N 2.81Å; Y190-H194 AromaticContact CD2-CE1 3.75Å; Y190-H194 AromaticContact CD2-ND1 3.36Å; Y190-H194 WeakPolarHBondContact CD2-ND1 3.47Å; Y190-H194 AromaticContact CE2-CE1 3.75Å; Y190-H194 AromaticContact CE2-ND1 3.44Å; Y190-H194 WeakPolarHBondContact CE2-ND1 3.17Å; Y190-H194 AromaticContact CG-ND1 3.87Å; Y190-H194 WeakPolarHBondContact O-CB 2.93Å; Y190-H194 PolarHBondContact O-N 2.79Å; Y190-H194 PolarHBondContact O-ND1 2.87Å; Y190-Y195 HydrophobicContact CD1-CD2 4.4Å; Y190-Y195 AromaticContact CD1-CE2 3.73Å; Y190-Y195 HydrophobicContact CD1-CE2 3.73Å; Y190-Y195 HydrophobicContact CE1-CD2 4.49Å; Y190-Y195 AromaticContact CE1-CE2 3.57Å; Y190-Y195 HydrophobicContact CE1-CE2 3.57Å; Y190-R209 PolarHBondContact OH-NE 2.94Å; Y190-R209 PolarHBondContact OH-NH2 3.31Å
191	Q	95.7	Very high	94.3	Very high	28 Å²	28	68 Å²	68	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-48.2	178.4	-65.2	-178.8	-42.9	0	0	111	W178 T179 D180 Q193 H194 Y195	W178-Q191 VanDerWaalsContact CD1-OE1 3.32Å; T179-Q191 PolarHBondContact OG1-NE2 3.4Å; T179-Q191 PolarHBondContact OG1-OE1 3.21Å; D180-Q191 WeakPolarHBondContact OD1-CB 3.21Å; D180-Q191 WeakPolarHBondContact OD1-CG 3.24Å; D180-Q191 PolarHBondContact OD1-N 3.23Å; D180-Q191 PolarHBondContact OD2-N 3.5Å; Q191-Q193 PolarHBondContact O-N 3.23Å; Q191-Q193 VanDerWaalsContact O-N 3.15Å; Q191-H194 PolarHBondContact O-N 2.91Å; Q191-Y195 HydrophobicContact CB-CD2 4.44Å; Q191-Y195 HydrophobicContact CG-CD2 4.36Å; Q191-Y195 WeakPolarHBondContact O-CB 3.43Å; Q191-Y195 PolarHBondContact O-N 2.72Å
192	A	96.2	Very high	94.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.4	-32.9	177.9	0	0	0	0	0	113.4	H36 P37 Q144 W178 D180 Y188	H36-A192 WeakPolarHBondContact NE2-CA 3.13Å; P37-A192 HydrophobicContact CG-CB 4.42Å; Q144-A192 PolarHBondContact NE2-O 2.81Å; W178-A192 HydrophobicContact CZ2-CB 4.23Å; D180-A192 WeakPolarHBondContact OD2-CB 3.47Å; D180-A192 PolarHBondContact OD2-N 2.93Å; Y188-A192 HydrophobicContact CD1-CB 4.16Å
193	Q	95.3	Very high	94.1	Very high	66 Å²	66	68.9 Å²	68.9	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-87.5	-27.7	-179	-69.2	-179.4	11.1	0	0	114	S141 Y188 G189 Y190 Q191	S141-Q193 VanDerWaalsContact CB-O 3.29Å; S141-Q193 WeakPolarHBondContact CB-O 3.38Å; S141-Q193 PolarHBondContact OG-O 3.19Å; Y188-Q193 PolarHBondContact O-NE2 3.46Å; G189-Q193 WeakPolarHBondContact O-CB 3.45Å; G189-Q193 VanDerWaalsContact O-CG 3.27Å; G189-Q193 WeakPolarHBondContact O-CG 3.38Å; G189-Q193 PolarHBondContact O-N 3.49Å; Y190-Q193 PolarHBondContact O-N 2.81Å; Q191-Q193 PolarHBondContact O-N 3.23Å; Q191-Q193 VanDerWaalsContact O-N 3.15Å
194	H	94.8	Very high	94.2	Very high	52 Å²	52	65 Å²	65	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-128.1	-6.1	-166.6	-56.7	98.4	0	0	0	115.4	Y190 Q191 G210	Y190-H194 AromaticContact CD2-CE1 3.75Å; Y190-H194 AromaticContact CD2-ND1 3.36Å; Y190-H194 WeakPolarHBondContact CD2-ND1 3.47Å; Y190-H194 AromaticContact CE2-CE1 3.75Å; Y190-H194 AromaticContact CE2-ND1 3.44Å; Y190-H194 WeakPolarHBondContact CE2-ND1 3.17Å; Y190-H194 AromaticContact CG-ND1 3.87Å; Y190-H194 WeakPolarHBondContact O-CB 2.93Å; Y190-H194 PolarHBondContact O-N 2.79Å; Y190-H194 PolarHBondContact O-ND1 2.87Å; Q191-H194 PolarHBondContact O-N 2.91Å; H194-G210 PolarHBondContact O-N 3.03Å
195	Y	95.8	Very high	94.3	Very high	56 Å²	56	61.4 Å²	61.4	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152	-174.5	-72.7	-98.6	0	0	0	113.4	H36 Y190 Q191 W207 Y208 R209	H36-Y195 PolarHBondContact CE1-O 2.95Å; Y190-Y195 HydrophobicContact CD1-CD2 4.4Å; Y190-Y195 AromaticContact CD1-CE2 3.73Å; Y190-Y195 HydrophobicContact CD1-CE2 3.73Å; Y190-Y195 HydrophobicContact CE1-CD2 4.49Å; Y190-Y195 AromaticContact CE1-CE2 3.57Å; Y190-Y195 HydrophobicContact CE1-CE2 3.57Å; Q191-Y195 HydrophobicContact CB-CD2 4.44Å; Q191-Y195 HydrophobicContact CG-CD2 4.36Å; Q191-Y195 WeakPolarHBondContact O-CB 3.43Å; Q191-Y195 PolarHBondContact O-N 2.72Å; Y195-W207 HydrophobicContact CD1-CB 3.71Å; Y195-W207 HydrophobicContact CD1-CG 4.45Å; Y195-W207 HydrophobicContact CE1-CB 4.27Å; Y195-W207 HydrophobicContact CG-CB 4.49Å; Y195-Y208 VanDerWaalsContact CA-O 3.3Å; Y195-Y208 WeakPolarHBondContact CA-O 3.35Å; Y195-R209 HydrophobicContact CD1-CB 4.11Å; Y195-R209 HydrophobicContact CE1-CB 3.69Å; Y195-R209 HydrophobicContact CE1-CG 4.37Å; Y195-R209 HydrophobicContact CE2-CG 4.41Å
196	V	96.8	Very high	94.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.9	170.6	-174	0	0	0	0	107.4	Q38 V143 S147 H151 Y152 M198 W207 Y208	Q38-V196 VanDerWaalsContact OE1-CG1 3.3Å; V143-V196 HydrophobicContact CG1-CG2 4.34Å; S147-V196 VanDerWaalsContact OG-CG2 3.28Å; S147-V196 WeakPolarHBondContact OG-CG2 3.34Å; H151-V196 HydrophobicContact CB-CG1 4.09Å; H151-V196 HydrophobicContact CB-CG2 4.3Å; Y152-V196 HydrophobicContact CD1-CG1 4.07Å; Y152-V196 HydrophobicContact CD1-CG2 4.44Å; Y152-V196 HydrophobicContact CE1-CG1 4.27Å; Y152-V196 HydrophobicContact CE1-CG2 3.95Å; V196-M198 HydrophobicContact CB-CG 4.18Å; V196-M198 HydrophobicContact CG1-CG 3.99Å; V196-M198 PolarHBondContact O-N 3Å; V196-W207 VanDerWaalsContact C-CE3 3.47Å; V196-Y208 PolarHBondContact N-O 2.94Å; V196-Y208 PolarHBondContact O-N 3.07Å
197	C	96.9	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	104.9	172.2	179.8	0	0	0	0	107.6	Q38 N155 C158 I160 C176 W207	Q38-C197 PolarHBondContact NE2-O 3.27Å; N155-C197 VanDerWaalsContact CB-O 3.26Å; N155-C197 WeakPolarHBondContact CB-O 3.41Å; C158-C197 HydrophobicContact CB-CB 4.41Å; C158-C197 WeakPolarHBondContact CB-SG 3.42Å; I160-C197 HydrophobicContact CD1-CB 3.77Å; I160-C197 HydrophobicContact CG1-CB 3.66Å; C176-C197 HydrophobicContact CB-CB 3.66Å; C176-C197 WeakPolarHBondContact CB-SG 3.47Å; C176-C197 VanDerWaalsContact SG-CA 3.54Å; C176-C197 WeakPolarHBondContact SG-CB 3.05Å; C176-C197 CovalentContact SG-SG 2.02Å; C176-C197 PolarHBondContact SG-SG 3.48Å; C197-W207 HydrophobicContact CB-CE3 3.94Å; C197-W207 HydrophobicContact CB-CH2 4.22Å; C197-W207 HydrophobicContact CB-CZ3 3.78Å; C197-W207 VanDerWaalsContact N-CZ3 3.35Å
198	M	95.7	Very high	95	Very high	42 Å²	42	55 Å²	55	21%	0.207	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.3	-172.5	-72.8	-169	59.4	0	0	111.8	N155 C158 V196 C205 S206 Y208 L212	N155-M198 WeakPolarHBondContact OD1-CA 3.02Å; C158-M198 VanDerWaalsContact SG-C 3.59Å; V196-M198 HydrophobicContact CB-CG 4.18Å; V196-M198 HydrophobicContact CG1-CG 3.99Å; V196-M198 PolarHBondContact O-N 3Å; M198-C205 VanDerWaalsContact O-CA 3.25Å; M198-C205 WeakPolarHBondContact O-CA 2.96Å; M198-S206 PolarHBondContact N-O 3.01Å; M198-S206 PolarHBondContact O-N 3.48Å; M198-Y208 HydrophobicContact SD-CD1 4Å; M198-Y208 HydrophobicContact SD-CD2 4.32Å; M198-Y208 HydrophobicContact SD-CG 3.7Å; M198-L212 HydrophobicContact SD-CD2 4.37Å
199	K	95.4	Very high	94.7	Very high	116 Å²	116	57.8 Å²	57.8	50%	0.504	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.9	174.9	-171.4	178.6	177.3	-179.4	0	110	N155 C158	N155-K199 PolarHBondContact OD1-N 2.9Å; C158-K199 VanDerWaalsContact SG-CA 3.54Å; C158-K199 VanDerWaalsContact SG-CB 3.58Å; C158-K199 PolarHBondContact SG-N 2.84Å; C158-K199 VanDerWaalsContact SG-N 3.39Å
200	H	94.1	Very high	93.2	Very high	84 Å²	84	58.2 Å²	58.2	39%	0.389	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-89.8	167.3	172.7	-67.7	-75	0	0	0	111.9	D202 G203 T204 S206	H200-D202 WeakPolarHBondContact CB-OD1 3.15Å; H200-D202 PolarHBondContact O-N 3.03Å; H200-G203 PolarHBondContact O-N 2.02Å; H200-G203 VanDerWaalsContact O-N 3.08Å; H200-T204 PolarHBondContact CD2-OG1 3.23Å; H200-T204 PolarHBondContact N-O 3.2Å; H200-S206 PolarHBondContact NE2-OG 3.07Å
201	V	92.4	Very high	91.4	Very high	160 Å²	160	61.6 Å²	61.6	97%	0.97	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-33	179.2	179.6	0	0	0	0	111.8	G203	V201-G203 PolarHBondContact O-N 3.2Å
202	D	93.6	Very high	89.1	Confident	121 Å²	121	62.4 Å²	62.4	65%	0.647	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.5	177.3	66.5	-1	0	0	0	113.8	H200 T204	H200-D202 WeakPolarHBondContact CB-OD1 3.15Å; H200-D202 PolarHBondContact O-N 3.03Å; D202-T204 VanDerWaalsContact C-N 3.34Å; D202-T204 WeakPolarHBondContact OD1-CB 3.19Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.5Å; D202-T204 PolarHBondContact OD1-N 3.45Å; D202-T204 PolarHBondContact OD1-OG1 3.31Å; D202-T204 PolarHBondContact OD2-OG1 3.05Å
203	G	90.9	Very high	86.7	Confident	29 Å²	29	67.3 Å²	67.3	30%	0.299	35%	0.345	S	S	.	.	S	Bend	trans	86.4	-2	-179.2	0	0	0	0	0	114.8	H200 V201	H200-G203 PolarHBondContact O-N 2.02Å; H200-G203 VanDerWaalsContact O-N 3.08Å; V201-G203 PolarHBondContact O-N 3.2Å
204	T	95.9	Very high	84.4	Confident	46 Å²	46	71.9 Å²	71.9	28%	0.282	37%	0.371	S	S	.	.			trans	-74.5	160.1	172.7	66.6	0	0	0	0	111.3	P173 H200 D202	P173-T204 HydrophobicContact CB-CG2 4.07Å; P173-T204 CarbonylContact O-C 3.1Å; P173-T204 VanDerWaalsContact O-CA 3.24Å; P173-T204 WeakPolarHBondContact O-CA 3.36Å; H200-T204 PolarHBondContact CD2-OG1 3.23Å; H200-T204 PolarHBondContact N-O 3.2Å; D202-T204 VanDerWaalsContact C-N 3.34Å; D202-T204 WeakPolarHBondContact OD1-CB 3.19Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.5Å; D202-T204 PolarHBondContact OD1-N 3.45Å; D202-T204 PolarHBondContact OD1-OG1 3.31Å; D202-T204 PolarHBondContact OD2-OG1 3.05Å
205	C	97.3	Very high	81.9	Confident	12 Å²	12	78.4 Å²	78.4	8%	0.081	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	174.9	-64.3	0	0	0	0	111.1	C158 P173 N174 M198	C158-C205 WeakPolarHBondContact CA-SG 3.46Å; C158-C205 HydrophobicContact CB-CB 3.67Å; C158-C205 WeakPolarHBondContact CB-SG 3.36Å; C158-C205 WeakPolarHBondContact SG-CB 3.36Å; C158-C205 CovalentContact SG-SG 2.03Å; C158-C205 PolarHBondContact SG-SG 3.03Å; P173-C205 PolarHBondContact O-N 3.26Å; N174-C205 VanDerWaalsContact CA-SG 3.56Å; N174-C205 PolarHBondContact O-SG 3.44Å; M198-C205 VanDerWaalsContact O-CA 3.25Å; M198-C205 WeakPolarHBondContact O-CA 2.96Å
206	S	95.9	Very high	79.2	Confident	49 Å²	49	85.5 Å²	85.5	34%	0.343	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.5	174.8	75.1	0	0	0	0	112.1	C176 M198 H200 Y208	C176-S206 VanDerWaalsContact SG-CA 3.58Å; M198-S206 PolarHBondContact N-O 3.01Å; M198-S206 PolarHBondContact O-N 3.48Å; H200-S206 PolarHBondContact NE2-OG 3.07Å; S206-Y208 PolarHBondContact O-N 3.44Å
207	W	96.1	Very high	76.5	Confident	49 Å²	49	91.3 Å²	91.3	19%	0.186	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.3	174.1	-74.9	124.9	0	0	0	111.5	H36 I160 C176 L177 W178 Y195 V196 C197	H36-W207 AromaticContact CD2-CH2 3.72Å; H36-W207 AromaticContact CE1-CZ3 3.92Å; H36-W207 AromaticContact NE2-CH2 3.65Å; H36-W207 AromaticContact NE2-CZ3 3.74Å; I160-W207 HydrophobicContact CD1-CH2 3.85Å; I160-W207 HydrophobicContact CD1-CZ3 4.32Å; I160-W207 HydrophobicContact CG1-CH2 4.07Å; I160-W207 HydrophobicContact CG1-CZ2 4.5Å; I160-W207 HydrophobicContact CG2-CH2 3.99Å; I160-W207 HydrophobicContact CG2-CZ2 3.98Å; C176-W207 HydrophobicContact CB-CD2 3.92Å; C176-W207 HydrophobicContact CB-CG 4.27Å; C176-W207 HydrophobicContact CB-CH2 4.5Å; C176-W207 HydrophobicContact CB-CZ2 3.87Å; L177-W207 PolarHBondContact O-NE1 3.38Å; W178-W207 HydrophobicContact CB-CZ2 4.09Å; Y195-W207 HydrophobicContact CD1-CB 3.71Å; Y195-W207 HydrophobicContact CD1-CG 4.45Å; Y195-W207 HydrophobicContact CE1-CB 4.27Å; Y195-W207 HydrophobicContact CG-CB 4.49Å; V196-W207 VanDerWaalsContact C-CE3 3.47Å; C197-W207 HydrophobicContact CB-CE3 3.94Å; C197-W207 HydrophobicContact CB-CH2 4.22Å; C197-W207 HydrophobicContact CB-CZ3 3.78Å; C197-W207 VanDerWaalsContact N-CZ3 3.35Å
208	Y	93.8	Very high	73.9	Confident	84 Å²	84	100.9 Å²	100.9	33%	0.329	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.3	172.6	-168.5	-84.1	0	0	0	109.7	Y195 V196 M198 S206 H211 L212	Y195-Y208 VanDerWaalsContact CA-O 3.3Å; Y195-Y208 WeakPolarHBondContact CA-O 3.35Å; V196-Y208 PolarHBondContact N-O 2.94Å; V196-Y208 PolarHBondContact O-N 3.07Å; M198-Y208 HydrophobicContact SD-CD1 4Å; M198-Y208 HydrophobicContact SD-CD2 4.32Å; M198-Y208 HydrophobicContact SD-CG 3.7Å; S206-Y208 PolarHBondContact O-N 3.44Å; Y208-H211 PolarHBondContact OH-O 2.93Å; Y208-L212 HydrophobicContact CD1-CD2 3.7Å; Y208-L212 HydrophobicContact CD1-CG 3.9Å; Y208-L212 HydrophobicContact CE1-CB 4.35Å; Y208-L212 HydrophobicContact CE1-CD1 4.49Å; Y208-L212 HydrophobicContact CE1-CD2 3.15Å; Y208-L212 HydrophobicContact CE1-CG 3.38Å
209	R	86.1	Confident	71.4	Confident	129 Å²	129	104.7 Å²	104.7	49%	0.487	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.4	177.7	-171.2	175.4	178.4	-174.1	-4.5	108.6	Y190 Y195 H211	Y190-R209 PolarHBondContact OH-NE 2.94Å; Y190-R209 PolarHBondContact OH-NH2 3.31Å; Y195-R209 HydrophobicContact CD1-CB 4.11Å; Y195-R209 HydrophobicContact CE1-CB 3.69Å; Y195-R209 HydrophobicContact CE1-CG 4.37Å; Y195-R209 HydrophobicContact CE2-CG 4.41Å; R209-H211 PolarHBondContact O-N 3.35Å
210	G	63.3	Low	68.9	Low	10 Å²	10	106.7 Å²	106.7	10%	0.103	54%	0.536	C	S	.	.	S	Bend	trans	-62.1	20.8	-173.3	0	0	0	0	0	117.9	H194 L212	H194-G210 PolarHBondContact O-N 3.03Å; G210-L212 PolarHBondContact O-N 3.32Å
211	H	57.9	Low	66.6	Low	161 Å²	161	110.4 Å²	110.4	75%	0.745	56%	0.557	S	S	*	*			trans	-74	60.2	154.9	-106	-71.4	0	0	0	109.1	Y208 R209 P213	Y208-H211 PolarHBondContact OH-O 2.93Å; R209-H211 PolarHBondContact O-N 3.35Å; H211-P213 VanDerWaalsContact O-CD 3.26Å; H211-P213 WeakPolarHBondContact O-CD 3.38Å
212	L	48.1	Very low	64.1	Low	44 Å²	44	110.2 Å²	110.2	23%	0.23	55%	0.549	C	S	.	.			trans	-75.5	118	170.5	-74.2	157	0	0	0	106.8	H151 M198 Y208 G210 L214	H151-L212 WeakPolarHBondContact CE1-CD1 3.25Å; H151-L212 WeakPolarHBondContact NE2-CD1 3.42Å; M198-L212 HydrophobicContact SD-CD2 4.37Å; Y208-L212 HydrophobicContact CD1-CD2 3.7Å; Y208-L212 HydrophobicContact CD1-CG 3.9Å; Y208-L212 HydrophobicContact CE1-CB 4.35Å; Y208-L212 HydrophobicContact CE1-CD1 4.49Å; Y208-L212 HydrophobicContact CE1-CD2 3.15Å; Y208-L212 HydrophobicContact CE1-CG 3.38Å; G210-L212 PolarHBondContact O-N 3.32Å; L212-L214 PolarHBondContact O-N 2.84Å
213	P	45.9	Very low	61.1	Low	103 Å²	103	113.1 Å²	113.1	67%	0.669	56%	0.558	S	S	*	*			trans	-59.5	116.4	156.4	22.8	-21.8	0	0	0	105.1	H211 R215	H211-P213 VanDerWaalsContact O-CD 3.26Å; H211-P213 WeakPolarHBondContact O-CD 3.38Å; P213-R215 PolarHBondContact O-N 3.44Å
214	L	46.5	Very low	58.8	Low	163 Å²	163	121.3 Å²	121.3	85%	0.853	61%	0.606	S	S	*	*			trans	-42.2	115.7	163.5	-73.7	168.6	0	0	0	105.8	L212 K216	L212-L214 PolarHBondContact O-N 2.84Å; L214-K216 PolarHBondContact O-N 2.94Å
215	R	41.5	Very low	56.9	Low	189 Å²	189	125.1 Å²	125.1	71%	0.713	62%	0.622	S	S	*	*			trans	-51.7	103.6	-171.4	-164.3	-175.1	179.9	-179.1	-0.5	108.4	P213 E217	P213-R215 PolarHBondContact O-N 3.44Å; R215-E217 HydrophobicContact CG-CB 4.12Å; R215-E217 HydrophobicContact CG-CG 4.31Å; R215-E217 IonicContact CZ-OE2 2.87Å; R215-E217 VanDerWaalsContact CZ-OE2 3.27Å; R215-E217 IonicContact NE-OE2 2.64Å; R215-E217 PolarHBondContact NE-OE2 3.2Å; R215-E217 IonicContact NH2-OE2 2.83Å; R215-E217 PolarHBondContact NH2-OE2 3.26Å; R215-E217 PolarHBondContact O-N 3.28Å
216	K	39.1	Very low	54.8	Low	204 Å²	204	131 Å²	131	89%	0.887	65%	0.651	S	S	*	*			trans	-80.9	50.6	179.8	-147.8	-175.3	-169.6	-172.5	0	108.7	L214	L214-K216 PolarHBondContact O-N 2.94Å
217	E	40.4	Very low	52.5	Low	122 Å²	122	135.6 Å²	135.6	57%	0.57	67%	0.668	S	S	*	*			trans	-132	51.6	179.8	-66	-175.9	159	0	0	109.8	R215	R215-E217 HydrophobicContact CG-CB 4.12Å; R215-E217 HydrophobicContact CG-CG 4.31Å; R215-E217 IonicContact CZ-OE2 2.87Å; R215-E217 VanDerWaalsContact CZ-OE2 3.27Å; R215-E217 IonicContact NE-OE2 2.64Å; R215-E217 PolarHBondContact NE-OE2 3.2Å; R215-E217 IonicContact NH2-OE2 2.83Å; R215-E217 PolarHBondContact NH2-OE2 3.26Å; R215-E217 PolarHBondContact O-N 3.28Å
218	F	42.6	Very low	49.9	Very low	201 Å²	201	140.6 Å²	140.6	88%	0.882	70%	0.696	S	S	*	*	S	Bend	trans	-150.9	27.6	159.5	-85.1	-68.8	0	0	0	111.7
219	V	42.7	Very low	47.2	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	72%	0.719	S	S	*	*	S	Bend	trans	-135.7	81.7	167	-174.1	0	0	0	0	104.8
220	D	43.8	Very low	44.6	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	74%	0.735	S	S	*	*	S	Bend	trans	177.4	35.8	157.3	-86.2	-19.8	0	0	0	112.3
221	I	44.4	Very low	43.3	Very low	162 Å²	162	154.9 Å²	154.9	83%	0.831	78%	0.78	S	S	*	*	S	Bend	trans	-150.7	94.7	150.7	-47.4	176	0	0	0	106.4
222	I	40.4	Very low	42.1	Very low	157 Å²	157	154.4 Å²	154.4	81%	0.805	78%	0.783	S	S	*	*			trans	164.9	91.2	148.7	-80	150.7	0	0	0	105.3
223	Q	29.6	Very low	41.6	Very low	181 Å²	181	163.6 Å²	163.6	85%	0.846	83%	0.829	S	S	*	*			trans	163	145.2	131.3	-91.5	172.8	22.1	0	0	109.7
224	P	42.8	Very low	41.3	Very low	201 Å²	201	169.1 Å²	169.1	100%	1.305	84%	0.843	S	S	*	*				-99.9	0	-59.3	8	13.2	0	0	0	112

Retrieved 224 of 224 residues in 480 ms (Link to these results)

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