A0A3Q0KD90_SCHMA Loading...

phosphatidylserine decarboxylase

Catalyzes the formation of phosphatidylethanolamine (PtdEtn) from phosphatidylserine (PtdSer). Plays a central role in phospholipid metabolism and in the interorganelle trafficking of phosphatidylserine. May be involved in lipid droplet biogenesis at the endoplasmic reticulum membrane.

AlphaFold DB , UniProt , Accession A0A3Q0KD90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 369 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	35.5	Very low	37.6	Very low	232 Å²	232	180.5 Å²	180.5	100%	1.143	84%	0.844	S	S	*	*				0	86.9	0	-72.2	178	-164.1	0	0	107.3
2	Y	33.7	Very low	37.5	Very low	213 Å²	213	176.2 Å²	176.2	84%	0.835	83%	0.831	S	S	*	*				56.2	94.1	88.2	-75.6	-70	0	0	0	114.2
3	R	35.8	Very low	37.3	Very low	220 Å²	220	181.2 Å²	181.2	83%	0.83	84%	0.84	S	S	*	*				167.5	121.5	100.6	-94.7	173.4	170.3	-159	-2.3	111.6
4	Y	38.2	Very low	37	Very low	204 Å²	204	174 Å²	174	80%	0.8	84%	0.839	S	S	*	*				66.4	129.4	106.5	-79.9	-94.6	0	0	0	113.2
5	S	38.8	Very low	37.1	Very low	114 Å²	114	168.7 Å²	168.7	80%	0.797	83%	0.828	S	S	*	*			cis	-164	165.6	42.3	-77.3	0	0	0	0	113.6
6	F	36.3	Very low	37.3	Very low	212 Å²	212	162.8 Å²	162.8	93%	0.93	82%	0.823	S	S	*	*			trans	-75.8	174.6	-168.1	-118.8	-119.5	0	0	0	117.1
7	P	42.8	Very low	37.9	Very low	93 Å²	93	159.6 Å²	159.6	60%	0.604	81%	0.814	S	S	*	*			trans	-109.6	-179.6	-162.8	43.3	-31.3	0	0	0	114.4
8	L	40.8	Very low	38.3	Very low	159 Å²	159	160.6 Å²	160.6	83%	0.832	81%	0.812	S	S	*	*			trans	-163.7	112.5	151.4	-97.6	128.7	0	0	0	108.9
9	L	37.6	Very low	38.8	Very low	140 Å²	140	160.8 Å²	160.8	73%	0.733	81%	0.809	S	S	*	*				62.6	95.1	89.6	-97.8	160.7	0	0	0	114.5
10	L	36.1	Very low	39.2	Very low	189 Å²	189	155.9 Å²	155.9	99%	0.99	79%	0.791	S	S	*	*			trans	-142.4	107.1	140.2	-85.5	171.6	0	0	0	108.6
11	R	37.7	Very low	39.9	Very low	210 Å²	210	152.1 Å²	152.1	79%	0.792	78%	0.775	S	S	*	*			trans	-107.1	136.6	-179.9	-173.2	-178.8	179.2	-177.6	0.9	107.9
12	N	36.5	Very low	40.7	Very low	128 Å²	128	147.9 Å²	147.9	68%	0.684	75%	0.751	S	S	*	*			trans	71.3	112.2	165.6	-61.9	-18.9	0	0	0	117.7
13	Y	35.7	Very low	41.6	Very low	241 Å²	241	140.6 Å²	140.6	95%	0.945	73%	0.731	S	S	*	*				-177.6	119.1	114	-110.1	-88.4	0	0	0	110.1
14	G	32.3	Very low	42.4	Very low	81 Å²	81	134.6 Å²	134.6	84%	0.835	72%	0.715	S	S	*	*			trans	79	85.1	151.5	0	0	0	0	0	120.1
15	S	39.4	Very low	43	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	71%	0.709	S	S	*	*			trans	-145.6	11.8	159.2	67.7	0	0	0	0	116.2	T17	S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 3.39Å
16	G	39.6	Very low	43.4	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-11.3	-174.2	0	0	0	0	0	117.3
17	T	47.4	Very low	43.9	Very low	110 Å²	110	128.9 Å²	128.9	68%	0.675	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-21.6	-178.9	38	0	0	0	0	114.3	S15 V21	S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 3.39Å; T17-V21 VanDerWaalsContact O-CG2 3.31Å; T17-V21 WeakPolarHBondContact O-CG2 3.49Å
18	K	46	Very low	44.5	Very low	177 Å²	177	128.1 Å²	128.1	77%	0.77	67%	0.672	S	S	*	*	H	α-helix	trans	-77.8	-32.1	-176.9	-80.6	-174	176.8	178.2	0	113.7	F22	K18-F22 PolarHBondContact O-N 3.3Å
19	Q	46.4	Very low	45	Very low	164 Å²	164	125.6 Å²	125.6	77%	0.766	66%	0.658	S	S	*	*	H	α-helix	trans	-71.2	-35.5	178.1	-96.3	178.4	-16.3	0	0	113.3	F22 S23	Q19-F22 PolarHBondContact O-N 2.87Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 VanDerWaalsContact O-N 3.11Å
20	S	48	Very low	45.2	Very low	62 Å²	62	127.9 Å²	127.9	43%	0.434	66%	0.657	S	S	.	*	H	α-helix	trans	-71.8	-36.2	178.3	85.5	0	0	0	0	112.1	F22 S23 N24	S20-F22 VanDerWaalsContact C-N 3.34Å; S20-F22 PolarHBondContact O-N 2.9Å; S20-S23 PolarHBondContact O-N 3.33Å; S20-S23 PolarHBondContact O-OG 3.22Å; S20-N24 WeakPolarHBondContact O-CB 3.23Å; S20-N24 PolarHBondContact O-N 3.05Å
21	V	54.2	Low	45.6	Very low	78 Å²	78	122 Å²	122	47%	0.473	63%	0.631	S	S	.	*	H	α-helix	trans	-65.7	-38.3	175.6	176	0	0	0	0	111	T17 R25	T17-V21 VanDerWaalsContact O-CG2 3.31Å; T17-V21 WeakPolarHBondContact O-CG2 3.49Å; V21-R25 WeakPolarHBondContact O-CB 3.46Å; V21-R25 WeakPolarHBondContact O-CG 3.41Å; V21-R25 PolarHBondContact O-N 2.67Å
22	F	51.8	Low	46.1	Very low	143 Å²	143	119.1 Å²	119.1	63%	0.627	63%	0.625	S	S	*	*	H	α-helix	trans	-69.1	-40.5	177.4	-152.9	-97.6	0	0	0	112.2	K18 Q19 S20 R25 L26	K18-F22 PolarHBondContact O-N 3.3Å; Q19-F22 PolarHBondContact O-N 2.87Å; S20-F22 VanDerWaalsContact C-N 3.34Å; S20-F22 PolarHBondContact O-N 2.9Å; F22-R25 PolarHBondContact O-N 2.73Å; F22-L26 HydrophobicContact CD1-CD1 3.6Å; F22-L26 HydrophobicContact CE1-CD1 3.53Å; F22-L26 PolarHBondContact O-N 2.83Å
23	S	51.4	Low	46.7	Very low	60 Å²	60	118.8 Å²	118.8	42%	0.42	62%	0.622	S	S	.	*	H	α-helix	trans	-67.4	-38.3	176.8	96.3	0	0	0	0	112.3	Q19 S20 L26 K27	Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 VanDerWaalsContact O-N 3.11Å; S20-S23 PolarHBondContact O-N 3.33Å; S20-S23 PolarHBondContact O-OG 3.22Å; S23-L26 PolarHBondContact O-N 3.3Å; S23-K27 PolarHBondContact O-N 2.83Å
24	N	53	Low	47.7	Very low	93 Å²	93	111.4 Å²	111.4	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-66.7	-40.7	173.7	-82.8	-15.6	0	0	0	111.7	S20 L26 K27 V28	S20-N24 WeakPolarHBondContact O-CB 3.23Å; S20-N24 PolarHBondContact O-N 3.05Å; N24-L26 PolarHBondContact O-N 2.77Å; N24-K27 PolarHBondContact O-N 3.45Å; N24-V28 VanDerWaalsContact O-CG2 3.3Å; N24-V28 WeakPolarHBondContact O-CG2 3.47Å; N24-V28 PolarHBondContact O-N 3.48Å
25	R	51.2	Low	48.7	Very low	176 Å²	176	113.4 Å²	113.4	66%	0.664	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-41.6	173	-79.8	-171.7	177.5	-140.7	1.1	112	V21 F22 V28 I29	V21-R25 WeakPolarHBondContact O-CB 3.46Å; V21-R25 WeakPolarHBondContact O-CG 3.41Å; V21-R25 PolarHBondContact O-N 2.67Å; F22-R25 PolarHBondContact O-N 2.73Å; R25-V28 PolarHBondContact O-N 3.32Å; R25-I29 WeakPolarHBondContact O-CB 3.46Å; R25-I29 VanDerWaalsContact O-CG1 3.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.48Å; R25-I29 PolarHBondContact O-N 3.26Å
26	L	47.2	Very low	49.2	Very low	85 Å²	85	110.6 Å²	110.6	45%	0.445	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-39.6	175	-102.9	139.8	0	0	0	112.9	F22 S23 N24 I29 R30	F22-L26 HydrophobicContact CD1-CD1 3.6Å; F22-L26 HydrophobicContact CE1-CD1 3.53Å; F22-L26 PolarHBondContact O-N 2.83Å; S23-L26 PolarHBondContact O-N 3.3Å; N24-L26 PolarHBondContact O-N 2.77Å; L26-I29 PolarHBondContact O-N 2.84Å; L26-R30 WeakPolarHBondContact O-CB 3.48Å; L26-R30 PolarHBondContact O-N 3.49Å
27	K	47.1	Very low	49.9	Very low	150 Å²	150	110.6 Å²	110.6	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-42.9	172.6	-84.8	-176.5	176.8	179	0	111.9	S23 N24 R30 S31	S23-K27 PolarHBondContact O-N 2.83Å; N24-K27 PolarHBondContact O-N 3.45Å; K27-R30 PolarHBondContact O-N 3.29Å; K27-S31 VanDerWaalsContact O-CB 3.32Å; K27-S31 WeakPolarHBondContact O-CB 3.23Å; K27-S31 PolarHBondContact O-N 2.78Å
28	V	55.5	Low	50.4	Low	76 Å²	76	108.7 Å²	108.7	46%	0.461	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-40.8	176.7	173	0	0	0	0	111	N24 R25 S31 K32	N24-V28 VanDerWaalsContact O-CG2 3.3Å; N24-V28 WeakPolarHBondContact O-CG2 3.47Å; N24-V28 PolarHBondContact O-N 3.48Å; R25-V28 PolarHBondContact O-N 3.32Å; V28-S31 PolarHBondContact O-N 2.87Å; V28-K32 HydrophobicContact CG1-CD 4.13Å; V28-K32 HydrophobicContact CG1-CG 4.36Å; V28-K32 WeakPolarHBondContact O-CB 3.29Å; V28-K32 WeakPolarHBondContact O-CG 3.3Å; V28-K32 PolarHBondContact O-N 2.85Å
29	I	51.3	Low	50.7	Low	106 Å²	106	102.4 Å²	102.4	54%	0.544	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-46.6	175.2	-68.7	164.2	0	0	0	110.4	R25 L26 S31 K32 L33	R25-I29 WeakPolarHBondContact O-CB 3.46Å; R25-I29 VanDerWaalsContact O-CG1 3.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.48Å; R25-I29 PolarHBondContact O-N 3.26Å; L26-I29 PolarHBondContact O-N 2.84Å; I29-S31 PolarHBondContact O-N 3.04Å; I29-K32 PolarHBondContact O-N 2.8Å; I29-L33 VanDerWaalsContact O-CB 3.32Å; I29-L33 WeakPolarHBondContact O-CB 3.39Å; I29-L33 PolarHBondContact O-N 2.82Å
30	R	41.9	Very low	51.4	Low	189 Å²	189	100.8 Å²	100.8	71%	0.713	54%	0.536	S	S	*	.	H	α-helix	trans	-59.6	-44.2	174.6	-84.1	-174.7	168.7	-177.3	-2.5	111.9	L26 K27 L33 V34	L26-R30 WeakPolarHBondContact O-CB 3.48Å; L26-R30 PolarHBondContact O-N 3.49Å; K27-R30 PolarHBondContact O-N 3.29Å; R30-L33 PolarHBondContact O-N 3.41Å; R30-V34 WeakPolarHBondContact O-CB 3.29Å; R30-V34 VanDerWaalsContact O-CG2 3.22Å; R30-V34 WeakPolarHBondContact O-CG2 3.42Å; R30-V34 PolarHBondContact O-N 2.91Å
31	S	44.5	Very low	51.8	Low	64 Å²	64	102 Å²	102	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-44.8	177.6	171.8	0	0	0	0	111.9	K27 V28 I29 V34 L35	K27-S31 VanDerWaalsContact O-CB 3.32Å; K27-S31 WeakPolarHBondContact O-CB 3.23Å; K27-S31 PolarHBondContact O-N 2.78Å; V28-S31 PolarHBondContact O-N 2.87Å; I29-S31 PolarHBondContact O-N 3.04Å; S31-V34 PolarHBondContact O-N 3.36Å; S31-L35 WeakPolarHBondContact O-CD1 3.33Å; S31-L35 PolarHBondContact O-N 3.3Å
32	K	48.5	Very low	52.2	Low	150 Å²	150	102.5 Å²	102.5	65%	0.652	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-39.1	175.2	-74.6	-175.9	177.1	-170.4	0	112.2	V28 I29 G36	V28-K32 HydrophobicContact CG1-CD 4.13Å; V28-K32 HydrophobicContact CG1-CG 4.36Å; V28-K32 WeakPolarHBondContact O-CB 3.29Å; V28-K32 WeakPolarHBondContact O-CG 3.3Å; V28-K32 PolarHBondContact O-N 2.85Å; I29-K32 PolarHBondContact O-N 2.8Å; K32-G36 PolarHBondContact O-N 3.37Å
33	L	49.3	Very low	52.6	Low	121 Å²	121	97.8 Å²	97.8	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-44.8	176.1	-153.3	93.7	0	0	0	110.6	I29 R30 G36 T37	I29-L33 VanDerWaalsContact O-CB 3.32Å; I29-L33 WeakPolarHBondContact O-CB 3.39Å; I29-L33 PolarHBondContact O-N 2.82Å; R30-L33 PolarHBondContact O-N 3.41Å; L33-G36 PolarHBondContact O-N 2.9Å; L33-T37 WeakPolarHBondContact O-CG2 3.38Å; L33-T37 PolarHBondContact O-N 3.27Å; L33-T37 PolarHBondContact O-OG1 3.3Å
34	V	55.8	Low	52.7	Low	87 Å²	87	99.7 Å²	99.7	53%	0.527	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-48.1	176.9	171.6	0	0	0	0	111	R30 S31 G36 T37 C38	R30-V34 WeakPolarHBondContact O-CB 3.29Å; R30-V34 VanDerWaalsContact O-CG2 3.22Å; R30-V34 WeakPolarHBondContact O-CG2 3.42Å; R30-V34 PolarHBondContact O-N 2.91Å; S31-V34 PolarHBondContact O-N 3.36Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 2.78Å; V34-T37 WeakPolarHBondContact CA-OG1 3.23Å; V34-T37 PolarHBondContact O-N 3.01Å; V34-T37 PolarHBondContact O-OG1 2.63Å; V34-C38 PolarHBondContact O-N 3.26Å; V34-C38 PolarHBondContact O-SG 2.66Å
35	L	54.3	Low	52.8	Low	122 Å²	122	97 Å²	97	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-59.9	-42	175.3	-100.5	103.6	0	0	0	112.1	S31 C38 G39	S31-L35 WeakPolarHBondContact O-CD1 3.33Å; S31-L35 PolarHBondContact O-N 3.3Å; L35-C38 PolarHBondContact O-N 2.83Å; L35-G39 PolarHBondContact O-N 2.72Å
36	G	48.6	Very low	53.1	Low	37 Å²	37	89.9 Å²	89.9	38%	0.381	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.4	0	0	0	0	0	112.1	K32 L33 V34 G39 I40	K32-G36 PolarHBondContact O-N 3.37Å; L33-G36 PolarHBondContact O-N 2.9Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 2.78Å; G36-G39 PolarHBondContact O-N 3.17Å; G36-I40 WeakPolarHBondContact O-CG1 3.48Å; G36-I40 PolarHBondContact O-N 3.23Å
37	T	55.2	Low	53.7	Low	73 Å²	73	92.2 Å²	92.2	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-40.7	176	53.8	0	0	0	0	112.4	L33 V34 I40 V41	L33-T37 WeakPolarHBondContact O-CG2 3.38Å; L33-T37 PolarHBondContact O-N 3.27Å; L33-T37 PolarHBondContact O-OG1 3.3Å; V34-T37 WeakPolarHBondContact CA-OG1 3.23Å; V34-T37 PolarHBondContact O-N 3.01Å; V34-T37 PolarHBondContact O-OG1 2.63Å; T37-I40 PolarHBondContact O-N 3.44Å; T37-V41 WeakPolarHBondContact O-CB 3.31Å; T37-V41 VanDerWaalsContact O-CG2 3.27Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.42Å
38	C	57.7	Low	53.9	Low	69 Å²	69	85.2 Å²	85.2	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174.4	-75.5	0	0	0	0	111.6	V34 L35 I40 V41 C42	V34-C38 PolarHBondContact O-N 3.26Å; V34-C38 PolarHBondContact O-SG 2.66Å; L35-C38 PolarHBondContact O-N 2.83Å; C38-I40 PolarHBondContact O-N 2.71Å; C38-V41 PolarHBondContact O-N 3.07Å; C38-C42 VanDerWaalsContact O-CB 3.23Å; C38-C42 WeakPolarHBondContact O-CB 3.29Å; C38-C42 PolarHBondContact O-N 2.85Å; C38-C42 PolarHBondContact O-SG 3.21Å
39	G	51	Low	53.8	Low	45 Å²	45	85.1 Å²	85.1	46%	0.464	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.4	0	0	0	0	0	112.9	L35 G36 G43	L35-G39 PolarHBondContact O-N 2.72Å; G36-G39 PolarHBondContact O-N 3.17Å; G39-G43 PolarHBondContact O-N 3.45Å
40	I	60.9	Low	54	Low	131 Å²	131	86.8 Å²	86.8	67%	0.672	49%	0.486	S	S	*	.	H	α-helix	trans	-66	-45.7	176.6	-66.3	166.6	0	0	0	110.8	G36 T37 C38 G43 Y44	G36-I40 WeakPolarHBondContact O-CG1 3.48Å; G36-I40 PolarHBondContact O-N 3.23Å; T37-I40 PolarHBondContact O-N 3.44Å; C38-I40 PolarHBondContact O-N 2.71Å; I40-G43 PolarHBondContact O-N 2.7Å; I40-Y44 VanDerWaalsContact O-CB 3.3Å; I40-Y44 WeakPolarHBondContact O-CB 3.41Å; I40-Y44 PolarHBondContact O-N 3.07Å
41	V	58.1	Low	54.3	Low	88 Å²	88	80.3 Å²	80.3	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-50	178.4	173.4	0	0	0	0	110.3	T37 C38 G43 Y44 V45	T37-V41 WeakPolarHBondContact O-CB 3.31Å; T37-V41 VanDerWaalsContact O-CG2 3.27Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.42Å; C38-V41 PolarHBondContact O-N 3.07Å; V41-G43 VanDerWaalsContact C-N 3.33Å; V41-G43 PolarHBondContact O-N 2.81Å; V41-Y44 PolarHBondContact O-N 3.31Å; V41-V45 HydrophobicContact CG1-CG2 4.26Å; V41-V45 WeakPolarHBondContact O-CB 3.27Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.46Å; V41-V45 PolarHBondContact O-N 3.38Å
42	C	61.4	Low	54.4	Low	88 Å²	88	79.8 Å²	79.8	60%	0.595	46%	0.46	S	S	*	.	H	α-helix	trans	-61.2	-39.7	177.2	-71.8	0	0	0	0	112.3	C38 V45 G46	C38-C42 VanDerWaalsContact O-CB 3.23Å; C38-C42 WeakPolarHBondContact O-CB 3.29Å; C38-C42 PolarHBondContact O-N 2.85Å; C38-C42 PolarHBondContact O-SG 3.21Å; C42-V45 PolarHBondContact O-N 3.43Å; C42-G46 PolarHBondContact O-N 2.87Å
43	G	60.9	Low	54.3	Low	43 Å²	43	82.7 Å²	82.7	44%	0.443	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-42.9	174.4	0	0	0	0	0	112.2	G39 I40 V41 G46 F47	G39-G43 PolarHBondContact O-N 3.45Å; I40-G43 PolarHBondContact O-N 2.7Å; V41-G43 VanDerWaalsContact C-N 3.33Å; V41-G43 PolarHBondContact O-N 2.81Å; G43-G46 PolarHBondContact O-N 3.47Å; G43-F47 VanDerWaalsContact O-CB 3.23Å; G43-F47 WeakPolarHBondContact O-CB 3.14Å; G43-F47 PolarHBondContact O-N 2.69Å
44	Y	53.3	Low	54.2	Low	101 Å²	101	79.2 Å²	79.2	40%	0.396	45%	0.447	S	S	.	.	H	α-helix	trans	-65.3	-43.5	175.3	-172.6	-96.6	0	0	0	112.1	I40 V41 S48 H71	I40-Y44 VanDerWaalsContact O-CB 3.3Å; I40-Y44 WeakPolarHBondContact O-CB 3.41Å; I40-Y44 PolarHBondContact O-N 3.07Å; V41-Y44 PolarHBondContact O-N 3.31Å; Y44-S48 WeakPolarHBondContact O-CB 3.25Å; Y44-S48 PolarHBondContact O-N 3.44Å; Y44-S48 PolarHBondContact O-OG 3.01Å; Y44-H71 PolarHBondContact OH-O 3.06Å
45	V	55.6	Low	53.7	Low	37 Å²	37	81 Å²	81	22%	0.224	45%	0.454	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175	168.2	0	0	0	0	111	V41 C42 S48 L49 L68	V41-V45 HydrophobicContact CG1-CG2 4.26Å; V41-V45 WeakPolarHBondContact O-CB 3.27Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.46Å; V41-V45 PolarHBondContact O-N 3.38Å; C42-V45 PolarHBondContact O-N 3.43Å; V45-S48 WeakPolarHBondContact O-CB 3.49Å; V45-S48 PolarHBondContact O-N 3.01Å; V45-L49 HydrophobicContact CG1-CD1 3.94Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 2.87Å; V45-L68 HydrophobicContact CB-CD2 3.89Å; V45-L68 HydrophobicContact CG1-CD2 3.62Å; V45-L68 HydrophobicContact CG2-CD2 3.33Å
46	G	57.1	Low	53.2	Low	25 Å²	25	76.3 Å²	76.3	26%	0.258	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-45.5	177.5	0	0	0	0	0	112.2	C42 G43 S48 L49 I50	C42-G46 PolarHBondContact O-N 2.87Å; G43-G46 PolarHBondContact O-N 3.47Å; G46-S48 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 3.49Å; G46-L49 PolarHBondContact O-N 3.33Å; G46-I50 WeakPolarHBondContact O-CB 3.47Å; G46-I50 WeakPolarHBondContact O-CD1 3.3Å; G46-I50 VanDerWaalsContact O-CG1 3.23Å; G46-I50 WeakPolarHBondContact O-CG1 3.34Å; G46-I50 PolarHBondContact O-N 3.33Å
47	F	59.3	Low	53	Low	135 Å²	135	77.1 Å²	77.1	59%	0.592	43%	0.429	S	S	*	.	H	α-helix	trans	-60	-44.8	173.2	179.4	-96.5	0	0	0	111.3	G43 L49 I50 T51	G43-F47 VanDerWaalsContact O-CB 3.23Å; G43-F47 WeakPolarHBondContact O-CB 3.14Å; G43-F47 PolarHBondContact O-N 2.69Å; F47-L49 PolarHBondContact O-N 3.41Å; F47-I50 PolarHBondContact O-N 2.88Å; F47-T51 HydrophobicContact CD1-CG2 4.15Å; F47-T51 HydrophobicContact CD2-CG2 4.01Å; F47-T51 HydrophobicContact CE1-CG2 3.82Å; F47-T51 HydrophobicContact CE2-CG2 3.67Å; F47-T51 HydrophobicContact CG-CG2 4.25Å; F47-T51 HydrophobicContact CZ-CG2 3.58Å; F47-T51 VanDerWaalsContact O-CB 3.3Å; F47-T51 WeakPolarHBondContact O-CB 3.2Å; F47-T51 VanDerWaalsContact O-CG2 3.29Å; F47-T51 WeakPolarHBondContact O-CG2 3.45Å; F47-T51 PolarHBondContact O-N 2.89Å; F47-T51 PolarHBondContact O-OG1 2.87Å
48	S	50.7	Low	52.3	Low	2 Å²	2	82.8 Å²	82.8	1%	0.014	45%	0.45	C	S	.	.	H	α-helix	trans	-56.5	-50.8	174.8	-64.8	0	0	0	0	110.7	Y44 V45 G46 I50 T51 D52 H71	Y44-S48 WeakPolarHBondContact O-CB 3.25Å; Y44-S48 PolarHBondContact O-N 3.44Å; Y44-S48 PolarHBondContact O-OG 3.01Å; V45-S48 WeakPolarHBondContact O-CB 3.49Å; V45-S48 PolarHBondContact O-N 3.01Å; G46-S48 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 3.49Å; S48-I50 PolarHBondContact O-N 3.39Å; S48-T51 CarbonylContact O-C 3.55Å; S48-T51 PolarHBondContact O-N 2.96Å; S48-T51 PolarHBondContact O-OG1 2.79Å; S48-D52 WeakPolarHBondContact O-CB 2.98Å; S48-D52 PolarHBondContact O-N 3.38Å; S48-H71 VanDerWaalsContact CB-CD2 3.45Å; S48-H71 WeakPolarHBondContact CB-CD2 3.18Å; S48-H71 VanDerWaalsContact CB-CG 3.44Å; S48-H71 PolarHBondContact O-CE1 2.92Å; S48-H71 PolarHBondContact O-NE2 3.2Å; S48-H71 VanDerWaalsContact OG-CB 3.26Å; S48-H71 WeakPolarHBondContact OG-CB 3.42Å
49	L	53.7	Low	51.9	Low	75 Å²	75	90 Å²	90	39%	0.393	47%	0.469	S	S	.	.	H	α-helix	trans	-64.1	-35.3	178.6	-68.9	170	0	0	0	113.9	V45 G46 F47 I64 A67	V45-L49 HydrophobicContact CG1-CD1 3.94Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 2.87Å; G46-L49 PolarHBondContact O-N 3.33Å; F47-L49 PolarHBondContact O-N 3.41Å; L49-I64 HydrophobicContact CD2-CG2 4.35Å; L49-A67 HydrophobicContact CD2-CB 3.92Å
50	I	56.3	Low	52	Low	141 Å²	141	88.7 Å²	88.7	72%	0.723	45%	0.451	S	S	*	.	H	α-helix	trans	-75.2	-33	177.6	-67.9	165	0	0	0	111.3	G46 F47 S48	G46-I50 WeakPolarHBondContact O-CB 3.47Å; G46-I50 WeakPolarHBondContact O-CD1 3.3Å; G46-I50 VanDerWaalsContact O-CG1 3.23Å; G46-I50 WeakPolarHBondContact O-CG1 3.34Å; G46-I50 PolarHBondContact O-N 3.33Å; F47-I50 PolarHBondContact O-N 2.88Å; S48-I50 PolarHBondContact O-N 3.39Å
51	T	48.9	Very low	51.7	Low	53 Å²	53	85 Å²	85	33%	0.325	44%	0.435	S	S	.	.	H	α-helix	trans	-90.4	-2.8	179.2	58.9	0	0	0	0	113.4	F47 S48 R53	F47-T51 HydrophobicContact CD1-CG2 4.15Å; F47-T51 HydrophobicContact CD2-CG2 4.01Å; F47-T51 HydrophobicContact CE1-CG2 3.82Å; F47-T51 HydrophobicContact CE2-CG2 3.67Å; F47-T51 HydrophobicContact CG-CG2 4.25Å; F47-T51 HydrophobicContact CZ-CG2 3.58Å; F47-T51 VanDerWaalsContact O-CB 3.3Å; F47-T51 WeakPolarHBondContact O-CB 3.2Å; F47-T51 VanDerWaalsContact O-CG2 3.29Å; F47-T51 WeakPolarHBondContact O-CG2 3.45Å; F47-T51 PolarHBondContact O-N 2.89Å; F47-T51 PolarHBondContact O-OG1 2.87Å; S48-T51 CarbonylContact O-C 3.55Å; S48-T51 PolarHBondContact O-N 2.96Å; S48-T51 PolarHBondContact O-OG1 2.79Å; T51-R53 PolarHBondContact O-N 3.26Å
52	D	46.9	Very low	51.5	Low	52 Å²	52	90.9 Å²	90.9	28%	0.278	45%	0.448	S	S	.	.			trans	-69.2	70.3	173.1	-160	9.1	0	0	0	109.9	S48 E54 A67 H71	S48-D52 WeakPolarHBondContact O-CB 2.98Å; S48-D52 PolarHBondContact O-N 3.38Å; D52-E54 VanDerWaalsContact C-N 3.26Å; D52-A67 WeakPolarHBondContact OD2-CB 3.26Å; D52-H71 IonicContact OD1-NE2 3.84Å
53	R	45.6	Very low	51.7	Low	212 Å²	212	91.7 Å²	91.7	80%	0.8	44%	0.443	S	S	*	.			trans	-92.7	19.2	169.9	-65.6	-173.8	178.5	173.2	-0.7	110.9	T51 D55	T51-R53 PolarHBondContact O-N 3.26Å; R53-D55 PolarHBondContact O-N 2.97Å
54	E	46.3	Very low	51.8	Low	48 Å²	48	94.9 Å²	94.9	22%	0.224	45%	0.448	C	S	.	.			trans	-71.1	117.1	175.3	-72	-179.5	-170.9	0	0	108.7	D52 T56 R70 R229	D52-E54 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.47Å; E54-R70 WeakPolarHBondContact OE2-CD 3.25Å; E54-R229 IonicContact OE1-CZ 3.46Å; E54-R229 IonicContact OE1-NH1 2.63Å; E54-R229 PolarHBondContact OE1-NH1 2.62Å; E54-R229 IonicContact OE1-NH2 3.62Å; E54-R229 PolarHBondContact OE1-NH2 3.15Å
55	D	45.2	Very low	52.1	Low	123 Å²	123	93.3 Å²	93.3	66%	0.658	45%	0.449	S	S	*	.			trans	-66.8	79.5	168.2	-74.6	-38.8	0	0	0	108.4	R53 P57	R53-D55 PolarHBondContact O-N 2.97Å; D55-P57 WeakPolarHBondContact O-CD 3.47Å
56	T	45.3	Very low	52.5	Low	24 Å²	24	91.5 Å²	91.5	15%	0.147	44%	0.438	C	S	.	.			trans	-60.1	126.8	169.3	57.6	0	0	0	0	107.4	E54 E58	E54-T56 PolarHBondContact O-N 3.47Å; T56-E58 PolarHBondContact O-N 3.37Å
57	P	44.5	Very low	52.8	Low	55 Å²	55	90.6 Å²	90.6	36%	0.357	43%	0.428	S	S	.	.			trans	-48.8	140.3	172.5	-26.2	31.3	0	0	0	109.7	D55 Y59 Y60	D55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-Y59 PolarHBondContact O-N 3.3Å; P57-Y60 HydrophobicContact CB-CD2 3.55Å; P57-Y60 HydrophobicContact CB-CE2 3.64Å; P57-Y60 VanDerWaalsContact CD-CD2 3.4Å; P57-Y60 HydrophobicContact CG-CD2 3.68Å; P57-Y60 HydrophobicContact CG-CE2 3.56Å; P57-Y60 WeakPolarHBondContact O-CB 3.45Å; P57-Y60 VanDerWaalsContact O-CD2 3.31Å; P57-Y60 WeakPolarHBondContact O-CD2 3.24Å; P57-Y60 PolarHBondContact O-N 3.36Å
58	E	39.9	Very low	53.2	Low	192 Å²	192	86.8 Å²	86.8	90%	0.897	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-22	-164.8	-164.9	170.1	-170.7	0	0	114.2	T56	T56-E58 PolarHBondContact O-N 3.37Å
59	Y	49.8	Very low	53.7	Low	220 Å²	220	88.7 Å²	88.7	86%	0.863	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.3	177	-82.1	-91.1	0	0	0	116.2	P57 P61	P57-Y59 PolarHBondContact O-N 3.3Å; Y59-P61 WeakPolarHBondContact O-CD 3.33Å
60	Y	53.2	Low	54.1	Low	18 Å²	18	85.8 Å²	85.8	7%	0.071	41%	0.41	C	S	.	.	S	Bend	trans	-91.3	113.4	-178.4	-72.3	-70.5	0	0	0	111.1	P57 R62 E177 P242 G243	P57-Y60 HydrophobicContact CB-CD2 3.55Å; P57-Y60 HydrophobicContact CB-CE2 3.64Å; P57-Y60 VanDerWaalsContact CD-CD2 3.4Å; P57-Y60 HydrophobicContact CG-CD2 3.68Å; P57-Y60 HydrophobicContact CG-CE2 3.56Å; P57-Y60 WeakPolarHBondContact O-CB 3.45Å; P57-Y60 VanDerWaalsContact O-CD2 3.31Å; P57-Y60 WeakPolarHBondContact O-CD2 3.24Å; P57-Y60 PolarHBondContact O-N 3.36Å; Y60-R62 PolarHBondContact O-N 3.33Å; Y60-E177 PolarHBondContact OH-OE2 2.9Å; Y60-P242 HydrophobicContact CD1-CB 3.51Å; Y60-P242 WeakPolarHBondContact CD1-O 3.24Å; Y60-P242 HydrophobicContact CE1-CB 3.74Å; Y60-P242 WeakPolarHBondContact CE1-O 3.27Å; Y60-G243 VanDerWaalsContact OH-CA 3.24Å; Y60-G243 WeakPolarHBondContact OH-CA 3.18Å
61	P	53.2	Low	54.4	Low	53 Å²	53	80.7 Å²	80.7	34%	0.344	38%	0.383	S	S	.	.			trans	-64	129	179.2	26.3	-34.3	0	0	0	110.9	Y59 H63 P242	Y59-P61 WeakPolarHBondContact O-CD 3.33Å; P61-H63 WeakPolarHBondContact CB-NE2 3.27Å; P61-H63 PolarHBondContact O-N 2.83Å; P61-P242 HydrophobicContact CG-CG 3.73Å
62	R	55.4	Low	55.2	Low	212 Å²	212	81.8 Å²	81.8	80%	0.8	39%	0.387	S	S	*	.			trans	-77.9	60.7	179.9	-64.8	-176.6	178.6	171.1	-0.6	111.9	Y60	Y60-R62 PolarHBondContact O-N 3.33Å
63	H	64.2	Low	56	Low	105 Å²	105	83 Å²	83	49%	0.486	40%	0.397	S	S	.	.			trans	-74.3	135	171.9	-61.2	-62	0	0	0	110.3	P61 T65 A66 A67	P61-H63 WeakPolarHBondContact CB-NE2 3.27Å; P61-H63 PolarHBondContact O-N 2.83Å; H63-T65 PolarHBondContact O-N 3.37Å; H63-T65 VanDerWaalsContact O-N 3.1Å; H63-A66 WeakPolarHBondContact O-CA 3.24Å; H63-A66 VanDerWaalsContact O-CB 3.3Å; H63-A66 WeakPolarHBondContact O-CB 3.36Å; H63-A66 PolarHBondContact O-N 3.27Å; H63-A67 PolarHBondContact O-N 3.48Å
64	I	63.1	Low	56.9	Low	109 Å²	109	74.2 Å²	74.2	56%	0.559	37%	0.366	S	S	*	.	H	α-helix	trans	-52.9	-35.3	177	-62.5	172.5	0	0	0	111.4	L49 A66 A67 L68	L49-I64 HydrophobicContact CD2-CG2 4.35Å; I64-A66 PolarHBondContact O-N 3.16Å; I64-A67 PolarHBondContact O-N 3.08Å; I64-L68 HydrophobicContact CG2-CD1 4.12Å; I64-L68 HydrophobicContact CG2-CG 4.32Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 2.84Å
65	T	60.5	Low	57.7	Low	68 Å²	68	72.8 Å²	72.8	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-34.9	175.9	52.1	0	0	0	0	112.7	H63 C69	H63-T65 PolarHBondContact O-N 3.37Å; H63-T65 VanDerWaalsContact O-N 3.1Å; T65-C69 WeakPolarHBondContact O-CB 3.46Å; T65-C69 PolarHBondContact O-N 3.08Å; T65-C69 VanDerWaalsContact O-N 3.08Å; T65-C69 PolarHBondContact O-SG 3.1Å; T65-C69 VanDerWaalsContact O-SG 3.37Å
66	A	62.4	Low	58.7	Low	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-70.2	-45.4	177.4	0	0	0	0	0	111.5	H63 I64 L68 C69 R70 L241	H63-A66 WeakPolarHBondContact O-CA 3.24Å; H63-A66 VanDerWaalsContact O-CB 3.3Å; H63-A66 WeakPolarHBondContact O-CB 3.36Å; H63-A66 PolarHBondContact O-N 3.27Å; I64-A66 PolarHBondContact O-N 3.16Å; A66-L68 PolarHBondContact O-N 2.87Å; A66-C69 PolarHBondContact O-N 3.13Å; A66-R70 WeakPolarHBondContact O-CB 3.45Å; A66-R70 VanDerWaalsContact O-CG 3.25Å; A66-R70 WeakPolarHBondContact O-CG 3.3Å; A66-R70 PolarHBondContact O-N 3.49Å; A66-L241 VanDerWaalsContact CA-CD2 3.44Å; A66-L241 HydrophobicContact CB-CD2 3.6Å
67	A	65.2	Low	59.9	Low	5 Å²	5	73.1 Å²	73.1	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-56.5	-50.4	173.8	0	0	0	0	0	111.1	L49 D52 H63 I64 C69 R70 H71	L49-A67 HydrophobicContact CD2-CB 3.92Å; D52-A67 WeakPolarHBondContact OD2-CB 3.26Å; H63-A67 PolarHBondContact O-N 3.48Å; I64-A67 PolarHBondContact O-N 3.08Å; A67-C69 PolarHBondContact O-N 3Å; A67-R70 WeakPolarHBondContact O-CB 3.46Å; A67-R70 PolarHBondContact O-N 3.36Å; A67-H71 PolarHBondContact O-CD2 3.38Å; A67-H71 PolarHBondContact O-N 2.85Å
68	L	65.9	Low	61	Low	56 Å²	56	70.6 Å²	70.6	29%	0.293	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-48.3	178.5	-72.7	176.7	0	0	0	113.2	V45 I64 A66 R70 H71 I72	V45-L68 HydrophobicContact CB-CD2 3.89Å; V45-L68 HydrophobicContact CG1-CD2 3.62Å; V45-L68 HydrophobicContact CG2-CD2 3.33Å; I64-L68 HydrophobicContact CG2-CD1 4.12Å; I64-L68 HydrophobicContact CG2-CG 4.32Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 2.84Å; A66-L68 PolarHBondContact O-N 2.87Å; L68-R70 VanDerWaalsContact C-N 3.25Å; L68-R70 PolarHBondContact O-N 3.36Å; L68-H71 PolarHBondContact O-N 3.1Å; L68-I72 WeakPolarHBondContact O-CG1 3.09Å; L68-I72 PolarHBondContact O-N 3.21Å
69	C	62.9	Low	62.4	Low	41 Å²	41	64.1 Å²	64.1	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-33.9	177.6	-75.4	0	0	0	0	112.1	T65 A66 A67 L74 L241	T65-C69 WeakPolarHBondContact O-CB 3.46Å; T65-C69 PolarHBondContact O-N 3.08Å; T65-C69 VanDerWaalsContact O-N 3.08Å; T65-C69 PolarHBondContact O-SG 3.1Å; T65-C69 VanDerWaalsContact O-SG 3.37Å; A66-C69 PolarHBondContact O-N 3.13Å; A67-C69 PolarHBondContact O-N 3Å; C69-L74 WeakPolarHBondContact O-CD1 3.36Å; C69-L241 HydrophobicContact CB-CD1 4.13Å; C69-L241 HydrophobicContact CB-CD2 4.17Å
70	R	62.1	Low	63.6	Low	15 Å²	15	58.8 Å²	58.8	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-35.1	178	-74.6	179.8	-158.5	135.2	-2.7	112.7	E54 A66 A67 L68 R229	E54-R70 WeakPolarHBondContact OE2-CD 3.25Å; A66-R70 WeakPolarHBondContact O-CB 3.45Å; A66-R70 VanDerWaalsContact O-CG 3.25Å; A66-R70 WeakPolarHBondContact O-CG 3.3Å; A66-R70 PolarHBondContact O-N 3.49Å; A67-R70 WeakPolarHBondContact O-CB 3.46Å; A67-R70 PolarHBondContact O-N 3.36Å; L68-R70 VanDerWaalsContact C-N 3.25Å; L68-R70 PolarHBondContact O-N 3.36Å; R70-R229 PolarHBondContact O-NH1 2.94Å
71	H	62.1	Low	64.6	Low	33 Å²	33	64 Å²	64	15%	0.153	32%	0.32	C	S	.	.	H	α-helix	trans	-88	-17.9	-175	-73.4	-74.4	0	0	0	115.6	Y44 S48 D52 A67 L68	Y44-H71 PolarHBondContact OH-O 3.06Å; S48-H71 VanDerWaalsContact CB-CD2 3.45Å; S48-H71 WeakPolarHBondContact CB-CD2 3.18Å; S48-H71 VanDerWaalsContact CB-CG 3.44Å; S48-H71 PolarHBondContact O-CE1 2.92Å; S48-H71 PolarHBondContact O-NE2 3.2Å; S48-H71 VanDerWaalsContact OG-CB 3.26Å; S48-H71 WeakPolarHBondContact OG-CB 3.42Å; D52-H71 IonicContact OD1-NE2 3.84Å; A67-H71 PolarHBondContact O-CD2 3.38Å; A67-H71 PolarHBondContact O-N 2.85Å; L68-H71 PolarHBondContact O-N 3.1Å
72	I	64.9	Low	65.6	Low	77 Å²	77	61.7 Å²	61.7	40%	0.395	31%	0.307	S	S	.	.	S	Bend	trans	-56.7	135.3	167.9	-65.1	166.1	0	0	0	106.9	L68 L74	L68-I72 WeakPolarHBondContact O-CG1 3.09Å; L68-I72 PolarHBondContact O-N 3.21Å; I72-L74 HydrophobicContact CB-CD1 4.4Å; I72-L74 HydrophobicContact CB-CD2 3.99Å; I72-L74 HydrophobicContact CB-CG 3.78Å; I72-L74 HydrophobicContact CG2-CD2 3.42Å; I72-L74 VanDerWaalsContact CG2-CD2 3.42Å; I72-L74 HydrophobicContact CG2-CG 3.66Å; I72-L74 PolarHBondContact O-N 3Å
73	P	64.1	Low	66.7	Low	77 Å²	77	60 Å²	60	50%	0.5	30%	0.3	S	S	.	.			trans	-73.4	57.6	-179.9	32.1	-36.8	0	0	0	110.2	N75 S76 L77	P73-N75 PolarHBondContact O-N 2.86Å; P73-N75 VanDerWaalsContact O-N 3.14Å; P73-S76 PolarHBondContact O-N 2.86Å; P73-L77 PolarHBondContact O-N 3.03Å
74	L	65.4	Low	67.6	Low	27 Å²	27	58.4 Å²	58.4	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-27.9	-170.9	-71.5	173.3	0	0	0	110.8	C69 I72 S78 L231 F270	C69-L74 WeakPolarHBondContact O-CD1 3.36Å; I72-L74 HydrophobicContact CB-CD1 4.4Å; I72-L74 HydrophobicContact CB-CD2 3.99Å; I72-L74 HydrophobicContact CB-CG 3.78Å; I72-L74 HydrophobicContact CG2-CD2 3.42Å; I72-L74 VanDerWaalsContact CG2-CD2 3.42Å; I72-L74 HydrophobicContact CG2-CG 3.66Å; I72-L74 PolarHBondContact O-N 3Å; L74-S78 WeakPolarHBondContact O-CA 3.23Å; L74-S78 WeakPolarHBondContact O-CB 3.15Å; L74-S78 PolarHBondContact O-N 2.91Å; L74-L231 HydrophobicContact CB-CD2 4.45Å; L74-L231 HydrophobicContact CD1-CD2 3.29Å; L74-L231 HydrophobicContact CG-CD2 4.47Å; L74-F270 HydrophobicContact CB-CD2 4.19Å; L74-F270 HydrophobicContact CB-CE2 4.28Å; L74-F270 HydrophobicContact CD2-CD2 3.91Å; L74-F270 HydrophobicContact CD2-CE2 3.67Å
75	N	61.4	Low	68.5	Low	18 Å²	18	53.4 Å²	53.4	10%	0.096	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-42.4	174.4	-67.2	-12.8	0	0	0	111.9	P73 S78 K79 L230	P73-N75 PolarHBondContact O-N 2.86Å; P73-N75 VanDerWaalsContact O-N 3.14Å; N75-S78 PolarHBondContact O-N 2.67Å; N75-K79 WeakPolarHBondContact O-CB 3.45Å; N75-K79 VanDerWaalsContact O-CG 3.27Å; N75-K79 WeakPolarHBondContact O-CG 3.34Å; N75-K79 PolarHBondContact O-N 2.7Å; N75-L230 PolarHBondContact OD1-N 2.66Å
76	S	68.2	Low	69.7	Low	83 Å²	83	54.8 Å²	54.8	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-67.3	-42.1	176	-62.3	0	0	0	0	111.1	P73 K79 F80	P73-S76 PolarHBondContact O-N 2.86Å; S76-K79 PolarHBondContact O-N 2.65Å; S76-F80 WeakPolarHBondContact O-CB 3.3Å; S76-F80 PolarHBondContact O-N 2.85Å
77	L	70.3	Confident	70.9	Confident	72 Å²	72	58 Å²	58	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-38.1	176.4	-169.1	66.3	0	0	0	111.7	P73 F80 W81 F270	P73-L77 PolarHBondContact O-N 3.03Å; L77-F80 HydrophobicContact CD1-CD1 4.37Å; L77-F80 WeakPolarHBondContact O-CB 3.32Å; L77-F80 PolarHBondContact O-N 2.75Å; L77-W81 PolarHBondContact O-N 2.8Å; L77-F270 HydrophobicContact CB-CE2 4.02Å; L77-F270 HydrophobicContact CB-CZ 4.16Å; L77-F270 HydrophobicContact CD2-CE2 3.97Å; L77-F270 HydrophobicContact CD2-CZ 3.6Å; L77-F270 HydrophobicContact CG-CE2 4.05Å; L77-F270 HydrophobicContact CG-CZ 3.68Å
78	S	65.9	Low	72.2	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-47.5	174.1	-179.3	0	0	0	0	110.5	L74 N75 F80 W81 G82 L230 G271	L74-S78 WeakPolarHBondContact O-CA 3.23Å; L74-S78 WeakPolarHBondContact O-CB 3.15Å; L74-S78 PolarHBondContact O-N 2.91Å; N75-S78 PolarHBondContact O-N 2.67Å; S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.73Å; S78-W81 PolarHBondContact O-N 3.3Å; S78-G82 PolarHBondContact O-N 3.16Å; S78-L230 WeakPolarHBondContact OG-CD1 3.15Å; S78-G271 WeakPolarHBondContact OG-CA 3.37Å; S78-G271 PolarHBondContact OG-N 2.59Å
79	K	70.8	Confident	73.5	Confident	56 Å²	56	62.1 Å²	62.1	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-38.3	174.6	-75.2	176.5	-178.3	-179.1	0	112.1	N75 S76 R83 N286	N75-K79 WeakPolarHBondContact O-CB 3.45Å; N75-K79 VanDerWaalsContact O-CG 3.27Å; N75-K79 WeakPolarHBondContact O-CG 3.34Å; N75-K79 PolarHBondContact O-N 2.7Å; S76-K79 PolarHBondContact O-N 2.65Å; K79-R83 VanDerWaalsContact O-CG 3.32Å; K79-R83 WeakPolarHBondContact O-CG 3.28Å; K79-R83 PolarHBondContact O-N 2.81Å; K79-N286 WeakPolarHBondContact CE-OD1 3.3Å
80	F	75.2	Confident	75.1	Confident	108 Å²	108	62.8 Å²	62.8	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-48.2	173.9	174.8	-103.2	0	0	0	111.5	S76 L77 S78 G82 R83 L84	S76-F80 WeakPolarHBondContact O-CB 3.3Å; S76-F80 PolarHBondContact O-N 2.85Å; L77-F80 HydrophobicContact CD1-CD1 4.37Å; L77-F80 WeakPolarHBondContact O-CB 3.32Å; L77-F80 PolarHBondContact O-N 2.75Å; S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.73Å; F80-G82 PolarHBondContact O-N 2.87Å; F80-R83 PolarHBondContact O-N 3.14Å; F80-L84 HydrophobicContact CD1-CD1 3.88Å; F80-L84 HydrophobicContact CD1-CG 4.42Å; F80-L84 HydrophobicContact CE1-CD1 3.27Å; F80-L84 HydrophobicContact CE1-CG 4.05Å; F80-L84 HydrophobicContact CE2-CD1 4.29Å; F80-L84 HydrophobicContact CE2-CD2 4.47Å; F80-L84 HydrophobicContact CE2-CG 4.26Å; F80-L84 HydrophobicContact CZ-CD1 3.51Å; F80-L84 HydrophobicContact CZ-CD2 4.25Å; F80-L84 HydrophobicContact CZ-CG 3.96Å; F80-L84 WeakPolarHBondContact O-CG 3.36Å; F80-L84 PolarHBondContact O-N 3.47Å
81	W	74.5	Confident	76.7	Confident	127 Å²	127	65.7 Å²	65.7	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-38.9	175.8	-80.5	116.1	0	0	0	113.2	L77 S78 L84 A85 F270	L77-W81 PolarHBondContact O-N 2.8Å; S78-W81 PolarHBondContact O-N 3.3Å; W81-L84 HydrophobicContact CD2-CD1 4.46Å; W81-L84 HydrophobicContact CE3-CB 4.43Å; W81-L84 HydrophobicContact CE3-CD1 3.83Å; W81-L84 HydrophobicContact CZ3-CD1 3.9Å; W81-L84 PolarHBondContact O-N 3.16Å; W81-A85 WeakPolarHBondContact O-CB 3.38Å; W81-A85 PolarHBondContact O-N 3.44Å; W81-F270 AromaticContact CD1-CE1 3.57Å; W81-F270 AromaticContact CD1-CZ 3.5Å; W81-F270 VanDerWaalsContact CD1-CZ 3.5Å; W81-F270 HydrophobicContact CG-CE1 4.38Å; W81-F270 AromaticContact NE1-CZ 3.98Å
82	G	73.1	Confident	78.3	Confident	6 Å²	6	71.3 Å²	71.3	6%	0.062	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-47.3	173.5	0	0	0	0	0	111.5	S78 F80 L84 A85 E86	S78-G82 PolarHBondContact O-N 3.16Å; F80-G82 PolarHBondContact O-N 2.87Å; G82-L84 PolarHBondContact O-N 3.33Å; G82-A85 PolarHBondContact O-N 3.49Å; G82-E86 WeakPolarHBondContact O-CG 3.25Å; G82-E86 PolarHBondContact O-N 3.25Å
83	R	78.6	Confident	79.8	Confident	175 Å²	175	70.5 Å²	70.5	66%	0.66	35%	0.354	S	S	*	.	H	α-helix	trans	-61.9	-41.3	174.8	-74.1	176.7	179.6	-171.6	-3.3	112.9	K79 F80 A85 E86 C87	K79-R83 VanDerWaalsContact O-CG 3.32Å; K79-R83 WeakPolarHBondContact O-CG 3.28Å; K79-R83 PolarHBondContact O-N 2.81Å; F80-R83 PolarHBondContact O-N 3.14Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-E86 PolarHBondContact O-N 3.01Å; R83-C87 PolarHBondContact O-N 3.47Å; R83-C87 VanDerWaalsContact O-N 3.15Å; R83-C87 PolarHBondContact O-SG 2.97Å
84	L	82.3	Confident	81.3	Confident	73 Å²	73	67.7 Å²	67.7	38%	0.382	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-39.5	175.3	-76.5	-177.5	0	0	0	111.8	F80 W81 G82 E86 C87	F80-L84 HydrophobicContact CD1-CD1 3.88Å; F80-L84 HydrophobicContact CD1-CG 4.42Å; F80-L84 HydrophobicContact CE1-CD1 3.27Å; F80-L84 HydrophobicContact CE1-CG 4.05Å; F80-L84 HydrophobicContact CE2-CD1 4.29Å; F80-L84 HydrophobicContact CE2-CD2 4.47Å; F80-L84 HydrophobicContact CE2-CG 4.26Å; F80-L84 HydrophobicContact CZ-CD1 3.51Å; F80-L84 HydrophobicContact CZ-CD2 4.25Å; F80-L84 HydrophobicContact CZ-CG 3.96Å; F80-L84 WeakPolarHBondContact O-CG 3.36Å; F80-L84 PolarHBondContact O-N 3.47Å; W81-L84 HydrophobicContact CD2-CD1 4.46Å; W81-L84 HydrophobicContact CE3-CB 4.43Å; W81-L84 HydrophobicContact CE3-CD1 3.83Å; W81-L84 HydrophobicContact CZ3-CD1 3.9Å; W81-L84 PolarHBondContact O-N 3.16Å; G82-L84 PolarHBondContact O-N 3.33Å; L84-E86 PolarHBondContact O-N 3.37Å; L84-C87 VanDerWaalsContact O-CB 3.29Å; L84-C87 WeakPolarHBondContact O-CB 3.45Å; L84-C87 PolarHBondContact O-N 2.98Å; L84-C87 VanDerWaalsContact O-N 3.15Å
85	A	82	Confident	82.8	Confident	4 Å²	4	68 Å²	68	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-70	-24.2	178	0	0	0	0	0	112.9	W81 G82 R83 C122 L123 S124 L334	W81-A85 WeakPolarHBondContact O-CB 3.38Å; W81-A85 PolarHBondContact O-N 3.44Å; G82-A85 PolarHBondContact O-N 3.49Å; R83-A85 VanDerWaalsContact C-N 3.32Å; A85-C122 VanDerWaalsContact O-CB 3.23Å; A85-C122 WeakPolarHBondContact O-CB 3.49Å; A85-C122 PolarHBondContact O-SG 2.62Å; A85-L123 HydrophobicContact CB-CB 4.17Å; A85-L123 HydrophobicContact CB-CD2 4.34Å; A85-L123 PolarHBondContact O-N 3.15Å; A85-S124 PolarHBondContact O-N 3.22Å; A85-L334 HydrophobicContact CB-CD1 3.6Å
86	E	85.8	Confident	84.4	Confident	97 Å²	97	72.2 Å²	72.2	45%	0.453	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.4	172.4	-69.2	-178.5	164.8	0	0	113.1	G82 R83 L84 H88 R333	G82-E86 WeakPolarHBondContact O-CG 3.25Å; G82-E86 PolarHBondContact O-N 3.25Å; R83-E86 PolarHBondContact O-N 3.01Å; L84-E86 PolarHBondContact O-N 3.37Å; E86-H88 PolarHBondContact O-N 3.44Å; E86-R333 IonicContact OE1-NH1 3.64Å
87	C	87.7	Confident	85.6	Confident	67 Å²	67	71.3 Å²	71.3	45%	0.453	35%	0.346	S	S	.	.	S	Bend	trans	-65.5	130	174.7	-70.9	0	0	0	0	110.8	R83 L84 I89 C122	R83-C87 PolarHBondContact O-N 3.47Å; R83-C87 VanDerWaalsContact O-N 3.15Å; R83-C87 PolarHBondContact O-SG 2.97Å; L84-C87 VanDerWaalsContact O-CB 3.29Å; L84-C87 WeakPolarHBondContact O-CB 3.45Å; L84-C87 PolarHBondContact O-N 2.98Å; L84-C87 VanDerWaalsContact O-N 3.15Å; C87-I89 PolarHBondContact O-N 3.29Å; C87-C122 WeakPolarHBondContact O-CB 3.18Å
88	H	93.2	Very high	86.8	Confident	126 Å²	126	67.9 Å²	67.9	58%	0.583	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-64.6	119.4	177.6	-177.6	-83.3	0	0	0	111.1	E86 R94	E86-H88 PolarHBondContact O-N 3.44Å; H88-R94 PolarHBondContact CE1-NH2 2.93Å; H88-R94 PolarHBondContact NE2-NH2 3Å
89	I	93.6	Very high	88.2	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.108	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-86.5	127.8	178	-63.5	169.8	0	0	0	108.5	C87 V91 L93 R94 I97 Y98 T121	C87-I89 PolarHBondContact O-N 3.29Å; I89-V91 PolarHBondContact O-N 3.17Å; I89-L93 HydrophobicContact CG2-CB 3.9Å; I89-R94 HydrophobicContact CB-CG 4.02Å; I89-R94 HydrophobicContact CG2-CB 4.47Å; I89-R94 HydrophobicContact CG2-CG 3.68Å; I89-R94 PolarHBondContact O-NE 2.79Å; I89-R94 PolarHBondContact O-NH2 3.18Å; I89-R94 VanDerWaalsContact O-NH2 3.09Å; I89-I97 HydrophobicContact CD1-CD1 4.17Å; I89-I97 HydrophobicContact CD1-CG2 4.21Å; I89-I97 HydrophobicContact CG1-CD1 4.42Å; I89-I97 HydrophobicContact CG2-CD1 3.7Å; I89-Y98 HydrophobicContact CD1-CE1 4.09Å; I89-T121 PolarHBondContact N-O 3.46Å
90	P	95.4	Very high	89.2	Confident	56 Å²	56	72.9 Å²	72.9	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-52.9	137	173.2	-26.6	34.1	0	0	0	112.3	F92 L93 R94	P90-F92 HydrophobicContact CB-CD1 3.76Å; P90-F92 HydrophobicContact CB-CE1 3.41Å; P90-F92 VanDerWaalsContact CB-CE1 3.41Å; P90-F92 HydrophobicContact CB-CZ 4.16Å; P90-F92 HydrophobicContact CG-CE1 4.31Å; P90-F92 PolarHBondContact O-N 3.14Å; P90-L93 HydrophobicContact CB-CD1 4.39Å; P90-L93 HydrophobicContact CB-CG 4.47Å; P90-L93 HydrophobicContact CG-CD1 4.14Å; P90-L93 PolarHBondContact O-N 3.35Å; P90-R94 PolarHBondContact O-N 2.82Å
91	V	96.3	Very high	90	Very high	75 Å²	75	69.1 Å²	69.1	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.2	-170.3	-179.7	0	0	0	0	113.1	I89 L93 R94 P95 K118	I89-V91 PolarHBondContact O-N 3.17Å; V91-L93 VanDerWaalsContact C-N 3.34Å; V91-L93 PolarHBondContact O-N 2.79Å; V91-R94 PolarHBondContact O-N 2.85Å; V91-P95 WeakPolarHBondContact O-CD 3.29Å; V91-K118 HydrophobicContact CG1-CB 4.12Å; V91-K118 HydrophobicContact CG1-CD 4.13Å; V91-K118 HydrophobicContact CG1-CG 4.19Å
92	F	96.3	Very high	90.8	Very high	151 Å²	151	63.5 Å²	63.5	66%	0.662	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.5	179.7	71.7	-88.2	0	0	0	114	P90	P90-F92 HydrophobicContact CB-CD1 3.76Å; P90-F92 HydrophobicContact CB-CE1 3.41Å; P90-F92 VanDerWaalsContact CB-CE1 3.41Å; P90-F92 HydrophobicContact CB-CZ 4.16Å; P90-F92 HydrophobicContact CG-CE1 4.31Å; P90-F92 PolarHBondContact O-N 3.14Å
93	L	95.9	Very high	91.7	Very high	61 Å²	61	70.5 Å²	70.5	32%	0.319	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-22.5	177.7	-66.5	179.5	0	0	0	112.9	I89 P90 V91 I96 I97	I89-L93 HydrophobicContact CG2-CB 3.9Å; P90-L93 HydrophobicContact CB-CD1 4.39Å; P90-L93 HydrophobicContact CB-CG 4.47Å; P90-L93 HydrophobicContact CG-CD1 4.14Å; P90-L93 PolarHBondContact O-N 3.35Å; V91-L93 VanDerWaalsContact C-N 3.34Å; V91-L93 PolarHBondContact O-N 2.79Å; L93-I96 PolarHBondContact O-N 3.06Å; L93-I96 VanDerWaalsContact O-N 3.17Å; L93-I97 HydrophobicContact CB-CD1 4.12Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.42Å
94	R	96.4	Very high	92.3	Very high	17 Å²	17	68.4 Å²	68.4	6%	0.064	36%	0.355	C	S	.	.	H	α-helix	trans	-52.8	-52.5	-175.2	-69.5	174	-171.8	179.9	-0.8	113	H88 I89 P90 V91 I96 I97 Y98 K118 Y120	H88-R94 PolarHBondContact CE1-NH2 2.93Å; H88-R94 PolarHBondContact NE2-NH2 3Å; I89-R94 HydrophobicContact CB-CG 4.02Å; I89-R94 HydrophobicContact CG2-CB 4.47Å; I89-R94 HydrophobicContact CG2-CG 3.68Å; I89-R94 PolarHBondContact O-NE 2.79Å; I89-R94 PolarHBondContact O-NH2 3.18Å; I89-R94 VanDerWaalsContact O-NH2 3.09Å; P90-R94 PolarHBondContact O-N 2.82Å; V91-R94 PolarHBondContact O-N 2.85Å; R94-I96 VanDerWaalsContact C-N 3.29Å; R94-I96 PolarHBondContact O-N 2.69Å; R94-I97 PolarHBondContact O-N 2.96Å; R94-Y98 HydrophobicContact CB-CD2 4.06Å; R94-Y98 HydrophobicContact CB-CE2 3.68Å; R94-Y98 HydrophobicContact CG-CE2 4Å; R94-Y98 WeakPolarHBondContact O-CD2 3.01Å; R94-Y98 PolarHBondContact O-N 2.77Å; R94-K118 WeakPolarHBondContact CD-O 3.18Å; R94-K118 PolarHBondContact NH1-O 2.86Å; R94-Y120 WeakPolarHBondContact CD-O 3.22Å; R94-Y120 PolarHBondContact NE-O 3.03Å
95	P	95.5	Very high	92.6	Very high	35 Å²	35	68.1 Å²	68.1	23%	0.227	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-36.4	-178.9	-22.7	35.6	0	0	0	113.1	V91 H99 L117 K118	V91-P95 WeakPolarHBondContact O-CD 3.29Å; P95-H99 VanDerWaalsContact O-CB 3.29Å; P95-H99 WeakPolarHBondContact O-CB 3.35Å; P95-H99 PolarHBondContact O-N 3.35Å; P95-H99 PolarHBondContact O-ND1 2.79Å; P95-L117 HydrophobicContact CB-CB 4.5Å; P95-K118 HydrophobicContact CG-CG 3.85Å
96	I	95.5	Very high	93	Very high	105 Å²	105	78.9 Å²	78.9	54%	0.538	39%	0.391	S	S	.	.	H	α-helix	trans	-66.3	-49	179.7	-59.9	171	0	0	0	109.9	L93 R94 S100	L93-I96 PolarHBondContact O-N 3.06Å; L93-I96 VanDerWaalsContact O-N 3.17Å; R94-I96 VanDerWaalsContact C-N 3.29Å; R94-I96 PolarHBondContact O-N 2.69Å; I96-S100 WeakPolarHBondContact O-CB 3.4Å; I96-S100 PolarHBondContact O-N 3.08Å; I96-S100 PolarHBondContact O-OG 3.33Å
97	I	93.8	Very high	93.3	Very high	64 Å²	64	74.8 Å²	74.8	33%	0.328	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-47.5	-178.6	-69.4	176.8	0	0	0	110.5	I89 L93 R94 S100 Y101	I89-I97 HydrophobicContact CD1-CD1 4.17Å; I89-I97 HydrophobicContact CD1-CG2 4.21Å; I89-I97 HydrophobicContact CG1-CD1 4.42Å; I89-I97 HydrophobicContact CG2-CD1 3.7Å; L93-I97 HydrophobicContact CB-CD1 4.12Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.42Å; R94-I97 PolarHBondContact O-N 2.96Å; I97-S100 PolarHBondContact O-N 2.92Å; I97-Y101 WeakPolarHBondContact O-CB 3.4Å; I97-Y101 PolarHBondContact O-N 3.46Å
98	Y	94.5	Very high	93.6	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-72.2	-34.9	-176.9	-58.4	-42.9	0	0	0	112.7	I89 R94 Y101 S102 L117 Y120 C122 L123 F126	I89-Y98 HydrophobicContact CD1-CE1 4.09Å; R94-Y98 HydrophobicContact CB-CD2 4.06Å; R94-Y98 HydrophobicContact CB-CE2 3.68Å; R94-Y98 HydrophobicContact CG-CE2 4Å; R94-Y98 WeakPolarHBondContact O-CD2 3.01Å; R94-Y98 PolarHBondContact O-N 2.77Å; Y98-Y101 PolarHBondContact O-N 3.38Å; Y98-S102 VanDerWaalsContact O-CB 3.29Å; Y98-S102 WeakPolarHBondContact O-CB 3.32Å; Y98-S102 PolarHBondContact O-N 2.85Å; Y98-S102 PolarHBondContact O-OG 3.43Å; Y98-L117 HydrophobicContact CD2-CB 4.15Å; Y98-L117 HydrophobicContact CD2-CD2 4.48Å; Y98-L117 WeakPolarHBondContact CD2-O 3.49Å; Y98-L117 VanDerWaalsContact CE2-O 3.31Å; Y98-L117 WeakPolarHBondContact CE2-O 3.46Å; Y98-Y120 WeakPolarHBondContact CE2-O 3.44Å; Y98-Y120 PolarHBondContact OH-O 2.84Å; Y98-C122 PolarHBondContact OH-N 2.87Å; Y98-C122 PolarHBondContact OH-O 2.69Å; Y98-L123 HydrophobicContact CE1-CD1 4.36Å; Y98-F126 HydrophobicContact CD1-CB 3.81Å; Y98-F126 AromaticContact CD1-CD1 3.82Å; Y98-F126 HydrophobicContact CD1-CD1 3.82Å; Y98-F126 HydrophobicContact CD1-CD2 4.04Å; Y98-F126 HydrophobicContact CD1-CE1 4.45Å; Y98-F126 AromaticContact CD1-CG 3.58Å; Y98-F126 HydrophobicContact CD1-CG 3.58Å; Y98-F126 HydrophobicContact CD2-CD2 4.35Å; Y98-F126 HydrophobicContact CE1-CB 3.53Å; Y98-F126 HydrophobicContact CE1-CD1 4.34Å; Y98-F126 AromaticContact CE1-CG 3.88Å; Y98-F126 HydrophobicContact CE1-CG 3.88Å; Y98-F126 HydrophobicContact CG-CB 4.46Å; Y98-F126 HydrophobicContact CG-CD1 4.44Å; Y98-F126 AromaticContact CG-CD2 3.96Å; Y98-F126 HydrophobicContact CG-CD2 3.96Å; Y98-F126 HydrophobicContact CG-CE2 4.36Å; Y98-F126 HydrophobicContact CG-CG 4.01Å
99	H	95	Very high	93.6	Very high	98 Å²	98	71.2 Å²	71.2	45%	0.454	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-45.6	168.8	-85.9	83.3	0	0	0	111.9	P95 Y101 S102 Q103 L117	P95-H99 VanDerWaalsContact O-CB 3.29Å; P95-H99 WeakPolarHBondContact O-CB 3.35Å; P95-H99 PolarHBondContact O-N 3.35Å; P95-H99 PolarHBondContact O-ND1 2.79Å; H99-Y101 VanDerWaalsContact C-N 3.34Å; H99-Y101 PolarHBondContact O-N 2.84Å; H99-S102 PolarHBondContact O-N 3.42Å; H99-Q103 WeakPolarHBondContact O-CG 3.33Å; H99-Q103 PolarHBondContact O-N 2.88Å; H99-L117 WeakPolarHBondContact CE1-CD1 3.42Å; H99-L117 WeakPolarHBondContact ND1-CD1 3.35Å
100	S	93.4	Very high	93.7	Very high	65 Å²	65	74.6 Å²	74.6	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-43.6	179.4	-56.6	0	0	0	0	111.3	I96 I97 Q103 L104	I96-S100 WeakPolarHBondContact O-CB 3.4Å; I96-S100 PolarHBondContact O-N 3.08Å; I96-S100 PolarHBondContact O-OG 3.33Å; I97-S100 PolarHBondContact O-N 2.92Å; S100-Q103 PolarHBondContact O-N 2.94Å; S100-L104 WeakPolarHBondContact O-CB 3.3Å; S100-L104 PolarHBondContact O-N 3.05Å
101	Y	90.1	Very high	93.6	Very high	29 Å²	29	73.2 Å²	73.2	11%	0.114	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-47.7	174.2	-175.9	-81.8	0	0	0	111.1	I97 Y98 H99 Q103 L104 F105 L123 F126 F127 P206	I97-Y101 WeakPolarHBondContact O-CB 3.4Å; I97-Y101 PolarHBondContact O-N 3.46Å; Y98-Y101 PolarHBondContact O-N 3.38Å; H99-Y101 VanDerWaalsContact C-N 3.34Å; H99-Y101 PolarHBondContact O-N 2.84Å; Y101-Q103 VanDerWaalsContact C-N 3.32Å; Y101-Q103 PolarHBondContact O-N 2.91Å; Y101-L104 PolarHBondContact O-N 3.28Å; Y101-F105 AromaticContact CD1-CD2 3.87Å; Y101-F105 HydrophobicContact CD1-CD2 3.87Å; Y101-F105 AromaticContact CD2-CD2 3.56Å; Y101-F105 HydrophobicContact CD2-CD2 3.56Å; Y101-F105 AromaticContact CD2-CE2 3.59Å; Y101-F105 HydrophobicContact CD2-CE2 3.59Å; Y101-F105 HydrophobicContact CE1-CB 4.2Å; Y101-F105 AromaticContact CE1-CD2 3.68Å; Y101-F105 HydrophobicContact CE1-CD2 3.68Å; Y101-F105 HydrophobicContact CE1-CG 4.29Å; Y101-F105 AromaticContact CE2-CD2 3.36Å; Y101-F105 HydrophobicContact CE2-CD2 3.36Å; Y101-F105 AromaticContact CE2-CE2 3.34Å; Y101-F105 HydrophobicContact CE2-CE2 3.34Å; Y101-F105 HydrophobicContact CE2-CG 4.46Å; Y101-F105 HydrophobicContact CE2-CZ 4.45Å; Y101-F105 AromaticContact CG-CD2 3.81Å; Y101-F105 HydrophobicContact CG-CD2 3.81Å; Y101-F105 HydrophobicContact CG-CE2 4.28Å; Y101-F105 AromaticContact CZ-CD2 3.41Å; Y101-F105 VanDerWaalsContact CZ-CD2 3.41Å; Y101-F105 AromaticContact CZ-CE2 3.85Å; Y101-F105 WeakPolarHBondContact O-CD2 3.35Å; Y101-F105 PolarHBondContact O-N 3.07Å; Y101-L123 HydrophobicContact CD2-CD1 3.77Å; Y101-L123 HydrophobicContact CE2-CD1 3.87Å; Y101-L123 HydrophobicContact CE2-CD2 4.41Å; Y101-L123 HydrophobicContact CG-CD1 4.3Å; Y101-F126 HydrophobicContact CD1-CD1 4.26Å; Y101-F126 AromaticContact CD1-CE1 3.69Å; Y101-F126 HydrophobicContact CD1-CE1 3.69Å; Y101-F126 HydrophobicContact CE1-CE1 4.1Å; Y101-F126 HydrophobicContact CG-CE1 4.5Å; Y101-F127 WeakPolarHBondContact OH-CD2 3.45Å; Y101-F127 VanDerWaalsContact OH-CE2 3.27Å; Y101-F127 WeakPolarHBondContact OH-CE2 3.19Å; Y101-P206 WeakPolarHBondContact CE1-O 3.49Å; Y101-P206 VanDerWaalsContact OH-CB 3.3Å; Y101-P206 WeakPolarHBondContact OH-CB 3.37Å; Y101-P206 PolarHBondContact OH-O 2.88Å
102	S	92.8	Very high	93.6	Very high	9 Å²	9	70.1 Å²	70.1	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-37.4	-179.3	-67.1	0	0	0	0	112.9	Y98 H99 R106 C107 L109	Y98-S102 VanDerWaalsContact O-CB 3.29Å; Y98-S102 WeakPolarHBondContact O-CB 3.32Å; Y98-S102 PolarHBondContact O-N 2.85Å; Y98-S102 PolarHBondContact O-OG 3.43Å; H99-S102 PolarHBondContact O-N 3.42Å; S102-R106 CarbonylContact O-C 3.57Å; S102-R106 WeakPolarHBondContact O-CA 3.44Å; S102-R106 PolarHBondContact O-N 2.99Å; S102-C107 PolarHBondContact O-N 3.41Å; S102-L109 VanDerWaalsContact OG-CD2 3.3Å; S102-L109 WeakPolarHBondContact OG-CD2 3.48Å; S102-L109 WeakPolarHBondContact OG-CG 3.11Å
103	Q	92.4	Very high	93.6	Very high	153 Å²	153	67.9 Å²	67.9	72%	0.715	34%	0.34	S	S	*	.	H	α-helix	trans	-66.5	-45.1	172.9	-73.5	177.3	-22.1	0	0	111.9	H99 S100 Y101 F105	H99-Q103 WeakPolarHBondContact O-CG 3.33Å; H99-Q103 PolarHBondContact O-N 2.88Å; S100-Q103 PolarHBondContact O-N 2.94Å; Y101-Q103 VanDerWaalsContact C-N 3.32Å; Y101-Q103 PolarHBondContact O-N 2.91Å; Q103-F105 PolarHBondContact O-N 3.28Å
104	L	89.6	Confident	93.5	Very high	130 Å²	130	68.3 Å²	68.3	68%	0.681	34%	0.342	S	S	*	.	H	α-helix	trans	-65.3	-40.4	-178.4	-178.3	61.2	0	0	0	112.5	S100 Y101	S100-L104 WeakPolarHBondContact O-CB 3.3Å; S100-L104 PolarHBondContact O-N 3.05Å; Y101-L104 PolarHBondContact O-N 3.28Å
105	F	89.2	Confident	93.3	Very high	68 Å²	68	72.3 Å²	72.3	30%	0.298	37%	0.371	S	S	.	.	H	α-helix	trans	-106.1	6.6	-175	-62.7	-67	0	0	0	114.3	Y101 Q103 C107 P206 G207	Y101-F105 AromaticContact CD1-CD2 3.87Å; Y101-F105 HydrophobicContact CD1-CD2 3.87Å; Y101-F105 AromaticContact CD2-CD2 3.56Å; Y101-F105 HydrophobicContact CD2-CD2 3.56Å; Y101-F105 AromaticContact CD2-CE2 3.59Å; Y101-F105 HydrophobicContact CD2-CE2 3.59Å; Y101-F105 HydrophobicContact CE1-CB 4.2Å; Y101-F105 AromaticContact CE1-CD2 3.68Å; Y101-F105 HydrophobicContact CE1-CD2 3.68Å; Y101-F105 HydrophobicContact CE1-CG 4.29Å; Y101-F105 AromaticContact CE2-CD2 3.36Å; Y101-F105 HydrophobicContact CE2-CD2 3.36Å; Y101-F105 AromaticContact CE2-CE2 3.34Å; Y101-F105 HydrophobicContact CE2-CE2 3.34Å; Y101-F105 HydrophobicContact CE2-CG 4.46Å; Y101-F105 HydrophobicContact CE2-CZ 4.45Å; Y101-F105 AromaticContact CG-CD2 3.81Å; Y101-F105 HydrophobicContact CG-CD2 3.81Å; Y101-F105 HydrophobicContact CG-CE2 4.28Å; Y101-F105 AromaticContact CZ-CD2 3.41Å; Y101-F105 VanDerWaalsContact CZ-CD2 3.41Å; Y101-F105 AromaticContact CZ-CE2 3.85Å; Y101-F105 WeakPolarHBondContact O-CD2 3.35Å; Y101-F105 PolarHBondContact O-N 3.07Å; Q103-F105 PolarHBondContact O-N 3.28Å; F105-C107 VanDerWaalsContact C-N 3.31Å; F105-C107 PolarHBondContact O-N 3.18Å; F105-P206 HydrophobicContact CB-CB 4.38Å; F105-P206 HydrophobicContact CD1-CB 3.73Å; F105-P206 HydrophobicContact CD1-CG 4Å; F105-P206 HydrophobicContact CD2-CB 4.45Å; F105-P206 HydrophobicContact CE1-CB 4.08Å; F105-P206 HydrophobicContact CE1-CG 4.1Å; F105-P206 HydrophobicContact CG-CB 3.93Å; F105-G207 WeakPolarHBondContact O-CA 3.36Å
106	R	91.5	Very high	93.3	Very high	230 Å²	230	74.5 Å²	74.5	87%	0.868	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	41.8	180	-54.3	179.8	-179.3	175.9	-1.6	113.3	S102	S102-R106 CarbonylContact O-C 3.57Å; S102-R106 WeakPolarHBondContact O-CA 3.44Å; S102-R106 PolarHBondContact O-N 2.99Å
107	C	91.1	Very high	93.3	Very high	11 Å²	11	70.2 Å²	70.2	7%	0.074	36%	0.359	C	S	.	.			trans	-74.2	124.3	170.9	173.4	0	0	0	0	109.5	S102 F105 L109 R129	S102-C107 PolarHBondContact O-N 3.41Å; F105-C107 VanDerWaalsContact C-N 3.31Å; F105-C107 PolarHBondContact O-N 3.18Å; C107-L109 PolarHBondContact O-N 3.49Å; C107-R129 PolarHBondContact SG-NE 2.88Å; C107-R129 PolarHBondContact SG-NH2 2.78Å
108	D	93.4	Very high	93.4	Very high	77 Å²	77	72.3 Å²	72.3	41%	0.412	37%	0.366	S	S	.	.			trans	-80	104.7	171.8	-167.7	-15.9	0	0	0	110.2	S110 E111	D108-S110 VanDerWaalsContact C-N 3.25Å; D108-S110 VanDerWaalsContact CG-OG 3.31Å; D108-S110 PolarHBondContact O-N 3.37Å; D108-S110 VanDerWaalsContact OD1-CB 3.3Å; D108-S110 WeakPolarHBondContact OD1-CB 3.23Å; D108-S110 PolarHBondContact OD1-N 2.98Å; D108-S110 PolarHBondContact OD1-OG 3.31Å; D108-S110 PolarHBondContact OD2-OG 3.1Å; D108-E111 HydrophobicContact CB-CG 4.16Å
109	L	94	Very high	93.4	Very high	41 Å²	41	74.5 Å²	74.5	22%	0.215	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-73.1	-17.3	178.8	-67.6	-179.7	0	0	0	113	S102 C107 E111 V112 L117 F126	S102-L109 VanDerWaalsContact OG-CD2 3.3Å; S102-L109 WeakPolarHBondContact OG-CD2 3.48Å; S102-L109 WeakPolarHBondContact OG-CG 3.11Å; C107-L109 PolarHBondContact O-N 3.49Å; L109-E111 PolarHBondContact O-N 2.93Å; L109-V112 HydrophobicContact CD2-CG2 4.36Å; L109-V112 PolarHBondContact O-N 3.15Å; L109-L117 HydrophobicContact CD1-CD1 4.08Å; L109-L117 HydrophobicContact CD1-CD2 4.37Å; L109-L117 HydrophobicContact CD2-CD2 4.02Å; L109-F126 HydrophobicContact CD2-CE2 3.81Å; L109-F126 HydrophobicContact CD2-CZ 3.69Å
110	S	94.7	Very high	93.4	Very high	92 Å²	92	70.8 Å²	70.8	64%	0.643	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-74.1	-16.4	179.4	75.3	0	0	0	0	113.2	D108	D108-S110 VanDerWaalsContact C-N 3.25Å; D108-S110 VanDerWaalsContact CG-OG 3.31Å; D108-S110 PolarHBondContact O-N 3.37Å; D108-S110 VanDerWaalsContact OD1-CB 3.3Å; D108-S110 WeakPolarHBondContact OD1-CB 3.23Å; D108-S110 PolarHBondContact OD1-N 2.98Å; D108-S110 PolarHBondContact OD1-OG 3.31Å; D108-S110 PolarHBondContact OD2-OG 3.1Å
111	E	95.2	Very high	93.4	Very high	26 Å²	26	70.3 Å²	70.3	12%	0.121	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-92.4	-9.7	178.9	-58.4	-173	157.7	0	0	113	D108 L109 I131 A132 K135 R136 K360	D108-E111 HydrophobicContact CB-CG 4.16Å; L109-E111 PolarHBondContact O-N 2.93Å; E111-I131 HydrophobicContact CB-CD1 4.36Å; E111-I131 HydrophobicContact CB-CG2 4.21Å; E111-I131 WeakPolarHBondContact O-CA 3.37Å; E111-I131 WeakPolarHBondContact O-CG2 2.94Å; E111-A132 PolarHBondContact O-N 2.88Å; E111-K135 HydrophobicContact CB-CB 4.35Å; E111-K135 HydrophobicContact CB-CG 4.15Å; E111-K135 HydrophobicContact CG-CG 4.36Å; E111-R136 IonicContact OE1-NH1 3.59Å; E111-R136 IonicContact OE2-CZ 3.51Å; E111-R136 VanDerWaalsContact OE2-CZ 3.23Å; E111-R136 IonicContact OE2-NH1 2.83Å; E111-R136 PolarHBondContact OE2-NH1 2.81Å; E111-R136 IonicContact OE2-NH2 2.8Å; E111-R136 PolarHBondContact OE2-NH2 3.36Å; E111-K360 IonicContact OE1-NZ 3.18Å; E111-K360 PolarHBondContact OE1-NZ 2.96Å; E111-K360 IonicContact OE2-NZ 2.76Å
112	V	95.3	Very high	93.5	Very high	11 Å²	11	69.3 Å²	69.3	7%	0.067	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-74.5	136.1	-173.6	-178.2	0	0	0	0	110.7	L109 N114 Y120 R129 I131	L109-V112 HydrophobicContact CD2-CG2 4.36Å; L109-V112 PolarHBondContact O-N 3.15Å; V112-N114 VanDerWaalsContact C-N 3.34Å; V112-N114 WeakPolarHBondContact CG1-O 3.32Å; V112-N114 PolarHBondContact O-N 3.1Å; V112-Y120 WeakPolarHBondContact CG1-OH 3.46Å; V112-R129 HydrophobicContact CG1-CB 4.15Å; V112-R129 HydrophobicContact CG1-CG 4.36Å; V112-R129 HydrophobicContact CG2-CG 4.4Å; V112-I131 HydrophobicContact CG2-CD1 4.35Å
113	E	95.4	Very high	93.3	Very high	104 Å²	104	70.9 Å²	70.9	49%	0.486	36%	0.362	S	S	.	.	S	Bend	trans	-61	-41.9	-179.4	-177	-176.3	-140.9	0	0	112.1	P115 K130	E113-P115 WeakPolarHBondContact O-CD 3.37Å; E113-K130 HydrophobicContact CB-CB 3.96Å; E113-K130 PolarHBondContact N-O 3.25Å; E113-K130 WeakPolarHBondContact OE2-CB 3.22Å; E113-K130 WeakPolarHBondContact OE2-CD 3.05Å
114	N	95	Very high	93.1	Very high	69 Å²	69	63.7 Å²	63.7	37%	0.369	33%	0.329	S	S	.	.			trans	-108.4	100.4	175.1	-173.7	-2.5	0	0	0	110.7	V112 D116 S119 Y120	V112-N114 VanDerWaalsContact C-N 3.34Å; V112-N114 WeakPolarHBondContact CG1-O 3.32Å; V112-N114 PolarHBondContact O-N 3.1Å; N114-D116 PolarHBondContact O-N 3.28Å; N114-D116 WeakPolarHBondContact OD1-CB 3.39Å; N114-D116 PolarHBondContact OD1-N 3.01Å; N114-D116 VanDerWaalsContact OD1-N 3.07Å; N114-S119 WeakPolarHBondContact ND2-CB 3.49Å; N114-S119 PolarHBondContact ND2-OG 3.48Å; N114-Y120 PolarHBondContact O-OH 2.83Å; N114-Y120 VanDerWaalsContact O-OH 3.09Å
115	P	92.8	Very high	93.1	Very high	101 Å²	101	59.7 Å²	59.7	66%	0.656	31%	0.308	S	S	*	.			trans	-72.7	-13	-178.8	29	-34.8	0	0	0	113.3	E113 L117	E113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-L117 PolarHBondContact O-N 2.7Å
116	D	95.7	Very high	93.3	Very high	82 Å²	82	56.5 Å²	56.5	44%	0.439	29%	0.294	S	S	.	.			trans	-73.9	95.7	177.6	-179.8	22.1	0	0	0	111.1	N114 K118 S119	N114-D116 PolarHBondContact O-N 3.28Å; N114-D116 WeakPolarHBondContact OD1-CB 3.39Å; N114-D116 PolarHBondContact OD1-N 3.01Å; N114-D116 VanDerWaalsContact OD1-N 3.07Å; D116-K118 PolarHBondContact O-N 2.85Å; D116-K118 VanDerWaalsContact O-N 3.09Å; D116-K118 VanDerWaalsContact OD1-CB 3.26Å; D116-K118 WeakPolarHBondContact OD1-CB 3.45Å; D116-K118 PolarHBondContact OD1-N 2.82Å; D116-S119 VanDerWaalsContact O-CB 3.29Å; D116-S119 WeakPolarHBondContact O-CB 3.45Å; D116-S119 PolarHBondContact O-N 3.15Å; D116-S119 PolarHBondContact O-OG 3.42Å
117	L	94.6	Very high	93.2	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.079	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	176.1	-65.5	-176.9	0	0	0	113.7	P95 Y98 H99 L109 P115 S119 Y120 F126	P95-L117 HydrophobicContact CB-CB 4.5Å; Y98-L117 HydrophobicContact CD2-CB 4.15Å; Y98-L117 HydrophobicContact CD2-CD2 4.48Å; Y98-L117 WeakPolarHBondContact CD2-O 3.49Å; Y98-L117 VanDerWaalsContact CE2-O 3.31Å; Y98-L117 WeakPolarHBondContact CE2-O 3.46Å; H99-L117 WeakPolarHBondContact CE1-CD1 3.42Å; H99-L117 WeakPolarHBondContact ND1-CD1 3.35Å; L109-L117 HydrophobicContact CD1-CD1 4.08Å; L109-L117 HydrophobicContact CD1-CD2 4.37Å; L109-L117 HydrophobicContact CD2-CD2 4.02Å; P115-L117 PolarHBondContact O-N 2.7Å; L117-S119 PolarHBondContact O-N 3.38Å; L117-Y120 HydrophobicContact CD2-CD2 4.49Å; L117-Y120 HydrophobicContact CD2-CE2 4.37Å; L117-F126 HydrophobicContact CD2-CD2 4.37Å; L117-F126 HydrophobicContact CD2-CE2 3.84Å
118	K	95.6	Very high	93.2	Very high	108 Å²	108	46 Å²	46	47%	0.47	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.9	176	-63.9	176.8	-179.7	173.3	0	112.2	V91 R94 P95 D116	V91-K118 HydrophobicContact CG1-CB 4.12Å; V91-K118 HydrophobicContact CG1-CD 4.13Å; V91-K118 HydrophobicContact CG1-CG 4.19Å; R94-K118 WeakPolarHBondContact CD-O 3.18Å; R94-K118 PolarHBondContact NH1-O 2.86Å; P95-K118 HydrophobicContact CG-CG 3.85Å; D116-K118 PolarHBondContact O-N 2.85Å; D116-K118 VanDerWaalsContact O-N 3.09Å; D116-K118 VanDerWaalsContact OD1-CB 3.26Å; D116-K118 WeakPolarHBondContact OD1-CB 3.45Å; D116-K118 PolarHBondContact OD1-N 2.82Å
119	S	95.1	Very high	93.3	Very high	45 Å²	45	42.6 Å²	42.6	32%	0.315	24%	0.235	S	C	.	.	S	Bend	trans	-70.3	-30.2	-179.1	69	0	0	0	0	113.5	N114 D116 L117 T121	N114-S119 WeakPolarHBondContact ND2-CB 3.49Å; N114-S119 PolarHBondContact ND2-OG 3.48Å; D116-S119 VanDerWaalsContact O-CB 3.29Å; D116-S119 WeakPolarHBondContact O-CB 3.45Å; D116-S119 PolarHBondContact O-N 3.15Å; D116-S119 PolarHBondContact O-OG 3.42Å; L117-S119 PolarHBondContact O-N 3.38Å; S119-T121 PolarHBondContact O-N 3.02Å
120	Y	94.3	Very high	93.3	Very high	20 Å²	20	44.9 Å²	44.9	8%	0.078	24%	0.243	C	C	.	.			trans	-77.6	112.7	-178.4	-57.1	-76.8	0	0	0	111.5	R94 Y98 V112 N114 L117 C122 D125 F126 R129	R94-Y120 WeakPolarHBondContact CD-O 3.22Å; R94-Y120 PolarHBondContact NE-O 3.03Å; Y98-Y120 WeakPolarHBondContact CE2-O 3.44Å; Y98-Y120 PolarHBondContact OH-O 2.84Å; V112-Y120 WeakPolarHBondContact CG1-OH 3.46Å; N114-Y120 PolarHBondContact O-OH 2.83Å; N114-Y120 VanDerWaalsContact O-OH 3.09Å; L117-Y120 HydrophobicContact CD2-CD2 4.49Å; L117-Y120 HydrophobicContact CD2-CE2 4.37Å; Y120-C122 PolarHBondContact O-N 3.46Å; Y120-D125 HydrophobicContact CD1-CB 4.23Å; Y120-F126 HydrophobicContact CD1-CB 4.23Å; Y120-F126 HydrophobicContact CD1-CD2 4.47Å; Y120-F126 AromaticContact CD2-CD2 3.78Å; Y120-F126 HydrophobicContact CD2-CD2 3.78Å; Y120-F126 AromaticContact CE2-CD2 3.98Å; Y120-F126 HydrophobicContact CE2-CD2 3.98Å; Y120-F126 HydrophobicContact CE2-CE2 4.5Å; Y120-F126 HydrophobicContact CG-CB 4.03Å; Y120-F126 HydrophobicContact CG-CD2 4.04Å; Y120-R129 HydrophobicContact CE1-CB 3.81Å
121	T	94.7	Very high	93.4	Very high	56 Å²	56	41.6 Å²	41.6	34%	0.344	22%	0.218	S	C	.	.			trans	-74.6	-29.9	-169.3	78	0	0	0	0	113.5	I89 S119 D125	I89-T121 PolarHBondContact N-O 3.46Å; S119-T121 PolarHBondContact O-N 3.02Å; T121-D125 WeakPolarHBondContact CB-OD2 3.43Å; T121-D125 PolarHBondContact N-OD2 2.84Å; T121-D125 VanDerWaalsContact N-OD2 3.12Å; T121-D125 PolarHBondContact OG1-OD2 2.97Å
122	C	91.5	Very high	93.4	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.047	22%	0.22	C	C	.	.	S	Bend	trans	-145.9	170.6	-179.5	69.1	0	0	0	0	111	A85 C87 Y98 Y120 S124 D125 F126	A85-C122 VanDerWaalsContact O-CB 3.23Å; A85-C122 WeakPolarHBondContact O-CB 3.49Å; A85-C122 PolarHBondContact O-SG 2.62Å; C87-C122 WeakPolarHBondContact O-CB 3.18Å; Y98-C122 PolarHBondContact OH-N 2.87Å; Y98-C122 PolarHBondContact OH-O 2.69Å; Y120-C122 PolarHBondContact O-N 3.46Å; C122-S124 VanDerWaalsContact C-N 3.26Å; C122-S124 PolarHBondContact O-N 3.41Å; C122-D125 PolarHBondContact N-OD2 3.14Å; C122-D125 PolarHBondContact O-N 3.34Å; C122-D125 VanDerWaalsContact O-N 3.16Å; C122-F126 PolarHBondContact O-N 3.05Å
123	L	88.4	Confident	93.4	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.225	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-35.3	179.7	-177.5	63.9	0	0	0	112	A85 Y98 Y101 D125 F126 F127	A85-L123 HydrophobicContact CB-CB 4.17Å; A85-L123 HydrophobicContact CB-CD2 4.34Å; A85-L123 PolarHBondContact O-N 3.15Å; Y98-L123 HydrophobicContact CE1-CD1 4.36Å; Y101-L123 HydrophobicContact CD2-CD1 3.77Å; Y101-L123 HydrophobicContact CE2-CD1 3.87Å; Y101-L123 HydrophobicContact CE2-CD2 4.41Å; Y101-L123 HydrophobicContact CG-CD1 4.3Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.28Å; L123-F126 HydrophobicContact CD1-CD1 4.43Å; L123-F126 PolarHBondContact O-N 2.9Å; L123-F127 VanDerWaalsContact O-CB 3.29Å; L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 PolarHBondContact O-N 3.38Å
124	S	87.6	Confident	93.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-40.1	176.4	-174.2	0	0	0	0	111.9	A85 C122 F127 I128	A85-S124 PolarHBondContact O-N 3.22Å; C122-S124 VanDerWaalsContact C-N 3.26Å; C122-S124 PolarHBondContact O-N 3.41Å; S124-F127 WeakPolarHBondContact O-CB 3.4Å; S124-F127 PolarHBondContact O-N 2.81Å; S124-I128 WeakPolarHBondContact O-CG1 3.36Å; S124-I128 PolarHBondContact O-N 3.33Å
125	D	91.2	Very high	93.5	Very high	46 Å²	46	47.5 Å²	47.5	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-44	177.6	-64.4	-21.2	0	0	0	111.3	Y120 T121 C122 L123 F127 I128 R129	Y120-D125 HydrophobicContact CD1-CB 4.23Å; T121-D125 WeakPolarHBondContact CB-OD2 3.43Å; T121-D125 PolarHBondContact N-OD2 2.84Å; T121-D125 VanDerWaalsContact N-OD2 3.12Å; T121-D125 PolarHBondContact OG1-OD2 2.97Å; C122-D125 PolarHBondContact N-OD2 3.14Å; C122-D125 PolarHBondContact O-N 3.34Å; C122-D125 VanDerWaalsContact O-N 3.16Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 3.28Å; D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3Å; D125-I128 WeakPolarHBondContact O-CG1 3.22Å; D125-I128 PolarHBondContact O-N 2.88Å; D125-R129 PolarHBondContact O-N 3.19Å
126	F	92.2	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-33.9	176	-179.9	-101.1	0	0	0	112	Y98 Y101 L109 L117 Y120 C122 L123 I128 R129	Y98-F126 HydrophobicContact CD1-CB 3.81Å; Y98-F126 AromaticContact CD1-CD1 3.82Å; Y98-F126 HydrophobicContact CD1-CD1 3.82Å; Y98-F126 HydrophobicContact CD1-CD2 4.04Å; Y98-F126 HydrophobicContact CD1-CE1 4.45Å; Y98-F126 AromaticContact CD1-CG 3.58Å; Y98-F126 HydrophobicContact CD1-CG 3.58Å; Y98-F126 HydrophobicContact CD2-CD2 4.35Å; Y98-F126 HydrophobicContact CE1-CB 3.53Å; Y98-F126 HydrophobicContact CE1-CD1 4.34Å; Y98-F126 AromaticContact CE1-CG 3.88Å; Y98-F126 HydrophobicContact CE1-CG 3.88Å; Y98-F126 HydrophobicContact CG-CB 4.46Å; Y98-F126 HydrophobicContact CG-CD1 4.44Å; Y98-F126 AromaticContact CG-CD2 3.96Å; Y98-F126 HydrophobicContact CG-CD2 3.96Å; Y98-F126 HydrophobicContact CG-CE2 4.36Å; Y98-F126 HydrophobicContact CG-CG 4.01Å; Y101-F126 HydrophobicContact CD1-CD1 4.26Å; Y101-F126 AromaticContact CD1-CE1 3.69Å; Y101-F126 HydrophobicContact CD1-CE1 3.69Å; Y101-F126 HydrophobicContact CE1-CE1 4.1Å; Y101-F126 HydrophobicContact CG-CE1 4.5Å; L109-F126 HydrophobicContact CD2-CE2 3.81Å; L109-F126 HydrophobicContact CD2-CZ 3.69Å; L117-F126 HydrophobicContact CD2-CD2 4.37Å; L117-F126 HydrophobicContact CD2-CE2 3.84Å; Y120-F126 HydrophobicContact CD1-CB 4.23Å; Y120-F126 HydrophobicContact CD1-CD2 4.47Å; Y120-F126 AromaticContact CD2-CD2 3.78Å; Y120-F126 HydrophobicContact CD2-CD2 3.78Å; Y120-F126 AromaticContact CE2-CD2 3.98Å; Y120-F126 HydrophobicContact CE2-CD2 3.98Å; Y120-F126 HydrophobicContact CE2-CE2 4.5Å; Y120-F126 HydrophobicContact CG-CB 4.03Å; Y120-F126 HydrophobicContact CG-CD2 4.04Å; C122-F126 PolarHBondContact O-N 3.05Å; L123-F126 HydrophobicContact CD1-CD1 4.43Å; L123-F126 PolarHBondContact O-N 2.9Å; F126-I128 VanDerWaalsContact C-N 3.31Å; F126-I128 PolarHBondContact O-N 3.24Å; F126-R129 VanDerWaalsContact O-CB 3.26Å; F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 VanDerWaalsContact O-CD 3.27Å; F126-R129 WeakPolarHBondContact O-CD 3.31Å; F126-R129 VanDerWaalsContact O-CG 3.25Å; F126-R129 WeakPolarHBondContact O-CG 3.28Å; F126-R129 PolarHBondContact O-N 3.39Å; F126-R129 PolarHBondContact O-NH1 2.8Å; F126-R129 VanDerWaalsContact O-NH1 3.11Å
127	F	89.2	Confident	93.7	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-34.6	178.8	-159.1	-92.6	0	0	0	112.4	Y101 L123 S124 D125 R129 P206 H210 L334	Y101-F127 WeakPolarHBondContact OH-CD2 3.45Å; Y101-F127 VanDerWaalsContact OH-CE2 3.27Å; Y101-F127 WeakPolarHBondContact OH-CE2 3.19Å; L123-F127 VanDerWaalsContact O-CB 3.29Å; L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 PolarHBondContact O-N 3.38Å; S124-F127 WeakPolarHBondContact O-CB 3.4Å; S124-F127 PolarHBondContact O-N 2.81Å; D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3Å; F127-R129 VanDerWaalsContact C-N 3.34Å; F127-P206 HydrophobicContact CE2-CB 4.3Å; F127-H210 HydrophobicContact CD1-CB 3.8Å; F127-H210 AromaticContact CD1-CD2 3.65Å; F127-H210 AromaticContact CD1-CG 3.68Å; F127-H210 HydrophobicContact CE1-CB 3.59Å; F127-H210 AromaticContact CE1-CD2 3.01Å; F127-H210 WeakPolarHBondContact CE1-CD2 3.38Å; F127-H210 AromaticContact CE1-CE1 3.5Å; F127-H210 AromaticContact CE1-CG 3.01Å; F127-H210 AromaticContact CE1-ND1 3.33Å; F127-H210 VanDerWaalsContact CE1-ND1 3.33Å; F127-H210 WeakPolarHBondContact CE1-ND1 3.29Å; F127-H210 AromaticContact CE1-NE2 3.32Å; F127-H210 VanDerWaalsContact CE1-NE2 3.32Å; F127-H210 WeakPolarHBondContact CE1-NE2 3.29Å; F127-H210 AromaticContact CE2-CD2 3.92Å; F127-H210 AromaticContact CE2-NE2 3.77Å; F127-H210 AromaticContact CZ-CD2 3.2Å; F127-H210 WeakPolarHBondContact CZ-CD2 3.23Å; F127-H210 AromaticContact CZ-CE1 3.36Å; F127-H210 WeakPolarHBondContact CZ-CE1 3.29Å; F127-H210 AromaticContact CZ-CG 3.64Å; F127-H210 AromaticContact CZ-ND1 3.72Å; F127-H210 AromaticContact CZ-NE2 2.99Å; F127-H210 WeakPolarHBondContact CZ-NE2 3.33Å; F127-L334 HydrophobicContact CB-CD2 4.47Å; F127-L334 VanDerWaalsContact CD1-CA 3.5Å; F127-L334 HydrophobicContact CD1-CD2 4.29Å; F127-L334 VanDerWaalsContact CD1-N 3.32Å; F127-L334 HydrophobicContact CD2-CD2 3.72Å; F127-L334 HydrophobicContact CE1-CB 4.34Å; F127-L334 HydrophobicContact CE1-CD2 4.43Å; F127-L334 HydrophobicContact CE2-CD2 3.88Å; F127-L334 HydrophobicContact CG-CD2 3.91Å; F127-L334 HydrophobicContact CZ-CB 4.49Å; F127-L334 HydrophobicContact CZ-CD2 4.22Å
128	I	91.9	Very high	93.9	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.087	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	20.1	175.7	69.2	170.1	0	0	0	113.2	S124 D125 F126 R211 Y331 F332 R333	S124-I128 WeakPolarHBondContact O-CG1 3.36Å; S124-I128 PolarHBondContact O-N 3.33Å; D125-I128 WeakPolarHBondContact O-CG1 3.22Å; D125-I128 PolarHBondContact O-N 2.88Å; F126-I128 VanDerWaalsContact C-N 3.31Å; F126-I128 PolarHBondContact O-N 3.24Å; I128-R211 VanDerWaalsContact O-CZ 3.3Å; I128-R211 PolarHBondContact O-NE 3.2Å; I128-R211 PolarHBondContact O-NH2 2.97Å; I128-Y331 HydrophobicContact CB-CD2 4.35Å; I128-Y331 HydrophobicContact CD1-CD2 4.32Å; I128-Y331 HydrophobicContact CD1-CE2 4.08Å; I128-Y331 HydrophobicContact CG2-CD2 3.76Å; I128-Y331 HydrophobicContact CG2-CE2 4.41Å; I128-Y331 HydrophobicContact CG2-CG 4.4Å; I128-F332 WeakPolarHBondContact CG2-O 3.16Å; I128-R333 HydrophobicContact CG2-CG 4.32Å
129	R	94.4	Very high	93.9	Very high	6 Å²	6	43.8 Å²	43.8	2%	0.023	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-52.5	144.8	176.8	68.3	-164.3	176.9	-66.6	-10.5	111.1	C107 V112 Y120 D125 F126 F127 G207 D208	C107-R129 PolarHBondContact SG-NE 2.88Å; C107-R129 PolarHBondContact SG-NH2 2.78Å; V112-R129 HydrophobicContact CG1-CB 4.15Å; V112-R129 HydrophobicContact CG1-CG 4.36Å; V112-R129 HydrophobicContact CG2-CG 4.4Å; Y120-R129 HydrophobicContact CE1-CB 3.81Å; D125-R129 PolarHBondContact O-N 3.19Å; F126-R129 VanDerWaalsContact O-CB 3.26Å; F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 VanDerWaalsContact O-CD 3.27Å; F126-R129 WeakPolarHBondContact O-CD 3.31Å; F126-R129 VanDerWaalsContact O-CG 3.25Å; F126-R129 WeakPolarHBondContact O-CG 3.28Å; F126-R129 PolarHBondContact O-N 3.39Å; F126-R129 PolarHBondContact O-NH1 2.8Å; F126-R129 VanDerWaalsContact O-NH1 3.11Å; F127-R129 VanDerWaalsContact C-N 3.34Å; R129-G207 PolarHBondContact NH2-O 2.86Å; R129-D208 PolarHBondContact NH2-O 3.4Å
130	K	95.5	Very high	94	Very high	90 Å²	90	49.4 Å²	49.4	39%	0.391	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-82.6	147.3	172.1	-72	-179.3	172	-171.9	0	110	E113 R211	E113-K130 HydrophobicContact CB-CB 3.96Å; E113-K130 PolarHBondContact N-O 3.25Å; E113-K130 WeakPolarHBondContact OE2-CB 3.22Å; E113-K130 WeakPolarHBondContact OE2-CD 3.05Å; K130-R211 VanDerWaalsContact CG-NE 3.29Å
131	I	95.9	Very high	94	Very high	23 Å²	23	53.3 Å²	53.3	12%	0.118	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-98.4	141.5	171.4	-62.1	-57.4	0	0	0	107.5	E111 V112 T133 K135 R136 C209	E111-I131 HydrophobicContact CB-CD1 4.36Å; E111-I131 HydrophobicContact CB-CG2 4.21Å; E111-I131 WeakPolarHBondContact O-CA 3.37Å; E111-I131 WeakPolarHBondContact O-CG2 2.94Å; V112-I131 HydrophobicContact CG2-CD1 4.35Å; I131-T133 PolarHBondContact O-N 2.79Å; I131-K135 HydrophobicContact CG2-CB 3.91Å; I131-R136 HydrophobicContact CB-CG 4.38Å; I131-R136 HydrophobicContact CG2-CG 3.68Å; I131-C209 HydrophobicContact CD1-CB 4.47Å; I131-C209 HydrophobicContact CG1-CB 3.76Å
132	A	95.8	Very high	94.1	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.2	135.2	178.9	0	0	0	0	0	110.6	E111 D134 K135	E111-A132 PolarHBondContact O-N 2.88Å; A132-D134 WeakPolarHBondContact CB-OD1 3.19Å; A132-D134 PolarHBondContact O-N 2.83Å; A132-K135 HydrophobicContact CB-CG 4.06Å; A132-K135 WeakPolarHBondContact O-CB 3.21Å; A132-K135 PolarHBondContact O-N 3.42Å
133	T	94.2	Very high	94.3	Very high	118 Å²	118	50.9 Å²	50.9	72%	0.724	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-60.1	-32.4	-171.3	-48.5	0	0	0	0	112.9	I131 K135 R136	I131-T133 PolarHBondContact O-N 2.79Å; T133-K135 PolarHBondContact O-N 3.33Å; T133-R136 CarbonylContact O-C 3.53Å; T133-R136 PolarHBondContact O-N 2.9Å
134	D	95.6	Very high	94.8	Very high	111 Å²	111	48.8 Å²	48.8	59%	0.594	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22.1	175.7	67.7	-60.7	0	0	0	113	A132	A132-D134 WeakPolarHBondContact CB-OD1 3.19Å; A132-D134 PolarHBondContact O-N 2.83Å
135	K	96.6	Very high	95.3	Very high	87 Å²	87	48.8 Å²	48.8	38%	0.378	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-86.5	-9.2	178.7	-53.1	-61	-178.9	-158.2	0	113.5	E111 I131 A132 T133	E111-K135 HydrophobicContact CB-CB 4.35Å; E111-K135 HydrophobicContact CB-CG 4.15Å; E111-K135 HydrophobicContact CG-CG 4.36Å; I131-K135 HydrophobicContact CG2-CB 3.91Å; A132-K135 HydrophobicContact CB-CG 4.06Å; A132-K135 WeakPolarHBondContact O-CB 3.21Å; A132-K135 PolarHBondContact O-N 3.42Å; T133-K135 PolarHBondContact O-N 3.33Å
136	R	96.5	Very high	95.6	Very high	18 Å²	18	46.6 Å²	46.6	7%	0.068	25%	0.245	C	C	.	.	S	Bend	trans	-134.3	61.5	-179.9	-63.1	-61.5	-175.8	-81.4	-5	111.4	E111 I131 T133 I138 D149 L361	E111-R136 IonicContact OE1-NH1 3.59Å; E111-R136 IonicContact OE2-CZ 3.51Å; E111-R136 VanDerWaalsContact OE2-CZ 3.23Å; E111-R136 IonicContact OE2-NH1 2.83Å; E111-R136 PolarHBondContact OE2-NH1 2.81Å; E111-R136 IonicContact OE2-NH2 2.8Å; E111-R136 PolarHBondContact OE2-NH2 3.36Å; I131-R136 HydrophobicContact CB-CG 4.38Å; I131-R136 HydrophobicContact CG2-CG 3.68Å; T133-R136 CarbonylContact O-C 3.53Å; T133-R136 PolarHBondContact O-N 2.9Å; R136-I138 PolarHBondContact O-N 2.96Å; R136-D149 IonicContact CZ-OD1 2.7Å; R136-D149 IonicContact CZ-OD2 3.58Å; R136-D149 IonicContact NE-OD1 3.91Å; R136-D149 PolarHBondContact NE-OD1 2.87Å; R136-D149 IonicContact NE-OD2 2.71Å; R136-D149 PolarHBondContact NE-OD2 2.84Å; R136-D149 IonicContact NH2-OD1 3.23Å; R136-D149 IonicContact NH2-OD2 3.58Å; R136-D149 PolarHBondContact NH2-OD2 2.79Å; R136-L361 HydrophobicContact CB-CB 4.4Å; R136-L361 HydrophobicContact CB-CD2 4.1Å; R136-L361 HydrophobicContact CB-CG 4.22Å; R136-L361 HydrophobicContact CG-CB 4.21Å; R136-L361 HydrophobicContact CG-CD2 4.23Å; R136-L361 HydrophobicContact CG-CG 4.47Å
137	P	97	Very high	95.9	Very high	97 Å²	97	46.6 Å²	46.6	63%	0.63	25%	0.245	S	C	*	.			trans	-63.1	133.1	176.1	28.2	-34.5	0	0	0	110.6
138	I	98	Very high	96.3	Very high	34 Å²	34	46.4 Å²	46.4	17%	0.174	25%	0.245	C	C	.	.			trans	-82	124	178.1	-54.5	-57.5	0	0	0	109.8	R136 Y140 V145 K325 L361	R136-I138 PolarHBondContact O-N 2.96Å; I138-Y140 HydrophobicContact CB-CD2 4.38Å; I138-Y140 HydrophobicContact CB-CE1 4.44Å; I138-Y140 HydrophobicContact CB-CE2 3.93Å; I138-Y140 HydrophobicContact CG2-CD1 4.21Å; I138-Y140 HydrophobicContact CG2-CD2 4.46Å; I138-Y140 HydrophobicContact CG2-CE1 4.01Å; I138-Y140 HydrophobicContact CG2-CE2 4.28Å; I138-Y140 HydrophobicContact CG2-CG 4.43Å; I138-Y140 VanDerWaalsContact O-CD2 3.26Å; I138-Y140 WeakPolarHBondContact O-CD2 3.33Å; I138-Y140 PolarHBondContact O-N 2.87Å; I138-V145 HydrophobicContact CG2-CG2 4.36Å; I138-K325 HydrophobicContact CG2-CD 4.23Å; I138-K325 HydrophobicContact CG2-CG 3.97Å; I138-L361 HydrophobicContact CD1-CD1 4.49Å
139	H	97.3	Very high	96.5	Very high	79 Å²	79	46 Å²	46	37%	0.366	24%	0.243	S	C	.	.			trans	-79.6	81.4	176.7	-167.2	-72.2	0	0	0	111.4	S141 A142 V145 G362	H139-S141 VanDerWaalsContact C-N 3.28Å; H139-S141 PolarHBondContact CE1-OG 2.91Å; H139-S141 PolarHBondContact ND1-OG 3.04Å; H139-S141 PolarHBondContact O-N 2.83Å; H139-A142 HydrophobicContact CB-CB 4.43Å; H139-A142 VanDerWaalsContact ND1-CB 3.32Å; H139-A142 WeakPolarHBondContact ND1-CB 3.23Å; H139-A142 PolarHBondContact ND1-N 3.08Å; H139-A142 VanDerWaalsContact ND1-N 3.16Å; H139-A142 WeakPolarHBondContact O-CB 3.11Å; H139-A142 PolarHBondContact O-N 2.84Å; H139-V145 HydrophobicContact CB-CG1 4.15Å; H139-V145 WeakPolarHBondContact O-CG1 3.34Å; H139-G362 WeakPolarHBondContact CB-O 3.42Å; H139-G362 PolarHBondContact N-O 3.48Å
140	Y	95.8	Very high	96.6	Very high	163 Å²	163	45.8 Å²	45.8	64%	0.639	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.2	-171.5	-73.7	-76.2	0	0	0	115.6	I138 A142 K325	I138-Y140 HydrophobicContact CB-CD2 4.38Å; I138-Y140 HydrophobicContact CB-CE1 4.44Å; I138-Y140 HydrophobicContact CB-CE2 3.93Å; I138-Y140 HydrophobicContact CG2-CD1 4.21Å; I138-Y140 HydrophobicContact CG2-CD2 4.46Å; I138-Y140 HydrophobicContact CG2-CE1 4.01Å; I138-Y140 HydrophobicContact CG2-CE2 4.28Å; I138-Y140 HydrophobicContact CG2-CG 4.43Å; I138-Y140 VanDerWaalsContact O-CD2 3.26Å; I138-Y140 WeakPolarHBondContact O-CD2 3.33Å; I138-Y140 PolarHBondContact O-N 2.87Å; Y140-A142 VanDerWaalsContact C-N 3.29Å; Y140-A142 PolarHBondContact O-N 3.42Å; Y140-K325 HydrophobicContact CD1-CD 4.5Å; Y140-K325 PolarHBondContact O-NZ 3.05Å; Y140-K325 VanDerWaalsContact O-NZ 3.13Å
141	S	95.2	Very high	96.6	Very high	101 Å²	101	44.2 Å²	44.2	71%	0.706	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.8	178.4	55.6	0	0	0	0	114.2	H139	H139-S141 VanDerWaalsContact C-N 3.28Å; H139-S141 PolarHBondContact CE1-OG 2.91Å; H139-S141 PolarHBondContact ND1-OG 3.04Å; H139-S141 PolarHBondContact O-N 2.83Å
142	A	96.8	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-81.7	137.1	171.5	0	0	0	0	0	109.3	H139 Y140 L144 V145 K325 P364 I366 I367	H139-A142 HydrophobicContact CB-CB 4.43Å; H139-A142 VanDerWaalsContact ND1-CB 3.32Å; H139-A142 WeakPolarHBondContact ND1-CB 3.23Å; H139-A142 PolarHBondContact ND1-N 3.08Å; H139-A142 VanDerWaalsContact ND1-N 3.16Å; H139-A142 WeakPolarHBondContact O-CB 3.11Å; H139-A142 PolarHBondContact O-N 2.84Å; Y140-A142 VanDerWaalsContact C-N 3.29Å; Y140-A142 PolarHBondContact O-N 3.42Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 3.22Å; A142-V145 HydrophobicContact CB-CG1 4.15Å; A142-K325 PolarHBondContact O-NZ 3.31Å; A142-P364 HydrophobicContact CB-CB 3.69Å; A142-I366 CarbonylContact C-O 3.52Å; A142-I367 HydrophobicContact CB-CG2 3.88Å
143	S	96.2	Very high	96.5	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	23%	0.225	C	C	.	.	S	Bend	trans	-60.5	-41.9	-178.6	-31.8	0	0	0	0	110.8	I366 D368	S143-I366 PolarHBondContact N-O 3.05Å; S143-D368 PolarHBondContact OG-N 2.88Å; S143-D368 VanDerWaalsContact OG-N 3.13Å; S143-D368 PolarHBondContact OG-OD1 3.39Å; S143-D368 PolarHBondContact OG-OD2 3.27Å
144	L	97.5	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130	177.5	-167	152.9	0	0	0	110.6	A142 P215 V216 W257 M262 L340 F342 I365 I366	A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 3.22Å; L144-P215 HydrophobicContact CD2-CB 4.12Å; L144-P215 HydrophobicContact CG-CB 4.12Å; L144-V216 HydrophobicContact CB-CG1 4.08Å; L144-V216 HydrophobicContact CD1-CG1 4.1Å; L144-V216 HydrophobicContact CG-CG1 3.84Å; L144-W257 HydrophobicContact CD1-CH2 4.49Å; L144-M262 HydrophobicContact CD1-CE 3.94Å; L144-L340 HydrophobicContact CD1-CD1 4.5Å; L144-L340 HydrophobicContact CD2-CD1 3.98Å; L144-F342 HydrophobicContact CD1-CD1 3.86Å; L144-F342 HydrophobicContact CD1-CD2 4.24Å; L144-F342 HydrophobicContact CD1-CE1 3.76Å; L144-F342 HydrophobicContact CD1-CE2 4.14Å; L144-F342 HydrophobicContact CD1-CG 4.12Å; L144-F342 HydrophobicContact CD1-CZ 3.92Å; L144-I365 HydrophobicContact CD2-CB 3.53Å; L144-I365 HydrophobicContact CD2-CG1 3.89Å; L144-I365 HydrophobicContact CD2-CG2 3.72Å; L144-I365 PolarHBondContact O-N 3.46Å; L144-I366 HydrophobicContact CB-CB 4.15Å; L144-I366 PolarHBondContact N-O 3.11Å; L144-I366 PolarHBondContact O-N 3.21Å; L144-I366 VanDerWaalsContact O-N 3.11Å
145	V	98.4	Very high	96.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	161.5	176.2	-62	0	0	0	0	112.1	I138 H139 A142 P147 P215 K325 G362 E363	I138-V145 HydrophobicContact CG2-CG2 4.36Å; H139-V145 HydrophobicContact CB-CG1 4.15Å; H139-V145 WeakPolarHBondContact O-CG1 3.34Å; A142-V145 HydrophobicContact CB-CG1 4.15Å; V145-P147 WeakPolarHBondContact O-CD 3.47Å; V145-P215 WeakPolarHBondContact CG2-O 3.48Å; V145-P215 PolarHBondContact N-O 2.95Å; V145-P215 WeakPolarHBondContact O-CB 3.42Å; V145-K325 HydrophobicContact CG1-CD 4.14Å; V145-K325 HydrophobicContact CG2-CD 4.16Å; V145-K325 HydrophobicContact CG2-CG 3.75Å; V145-G362 WeakPolarHBondContact CG1-O 3.44Å; V145-E363 CarbonylContact C-O 3.46Å; V145-E363 VanDerWaalsContact CA-O 3.24Å; V145-E363 WeakPolarHBondContact CA-O 3.5Å; V145-E363 WeakPolarHBondContact CB-O 3.47Å
146	S	98.5	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.			trans	-64.7	126	176.8	-172.1	0	0	0	0	109.2	V148 V359 K360 L361 G362 E363	S146-V148 PolarHBondContact O-N 2.9Å; S146-V148 PolarHBondContact OG-O 2.83Å; S146-V359 WeakPolarHBondContact OG-CG2 3.33Å; S146-K360 VanDerWaalsContact CB-O 3.27Å; S146-K360 WeakPolarHBondContact CB-O 3.37Å; S146-L361 WeakPolarHBondContact O-CD1 3.42Å; S146-G362 PolarHBondContact O-N 2.83Å; S146-E363 PolarHBondContact N-O 3.14Å
147	P	98.2	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-77.6	-10	177.8	31.7	-35.8	0	0	0	113.3	V145 I202 F212 H213 P215 F264 V338 L340	V145-P147 WeakPolarHBondContact O-CD 3.47Å; P147-I202 HydrophobicContact CG-CD1 4.31Å; P147-F212 WeakPolarHBondContact O-CA 3.08Å; P147-H213 WeakPolarHBondContact CB-O 3.39Å; P147-H213 PolarHBondContact O-N 2.85Å; P147-P215 HydrophobicContact CB-CB 4.2Å; P147-F264 HydrophobicContact CB-CE2 3.65Å; P147-F264 HydrophobicContact CB-CZ 4.25Å; P147-F264 HydrophobicContact CG-CE2 4.06Å; P147-V338 HydrophobicContact CG-CG1 3.91Å; P147-L340 HydrophobicContact CG-CD1 4.13Å; P147-L340 HydrophobicContact CG-CD2 4.41Å
148	V	97.7	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-148.8	165.8	-170	-64	0	0	0	0	111.4	S146 I202 L204 F212 V338 K360 L361	S146-V148 PolarHBondContact O-N 2.9Å; S146-V148 PolarHBondContact OG-O 2.83Å; V148-I202 HydrophobicContact CG2-CB 3.95Å; V148-I202 HydrophobicContact CG2-CD1 4.21Å; V148-I202 HydrophobicContact CG2-CG2 3.52Å; V148-L204 HydrophobicContact CB-CD1 4.38Å; V148-L204 HydrophobicContact CB-CD2 3.96Å; V148-L204 HydrophobicContact CB-CG 4.18Å; V148-L204 HydrophobicContact CG1-CD1 4.34Å; V148-L204 HydrophobicContact CG1-CD2 3.92Å; V148-L204 HydrophobicContact CG1-CG 4.45Å; V148-L204 HydrophobicContact CG2-CD1 4.09Å; V148-L204 HydrophobicContact CG2-CG 4.21Å; V148-F212 HydrophobicContact CG1-CB 3.45Å; V148-F212 VanDerWaalsContact CG1-CB 3.45Å; V148-V338 HydrophobicContact CG1-CB 4.47Å; V148-V338 HydrophobicContact CG1-CG2 3.75Å; V148-K360 CarbonylContact O-C 3.55Å; V148-L361 PolarHBondContact O-N 2.9Å
149	D	96.5	Very high	94.2	Very high	9 Å²	9	32 Å²	32	5%	0.048	17%	0.171	C	C	.	.	S	Bend	trans	-83.2	131.8	158.4	-64.2	-20.8	0	0	0	109.2	R136 D208 C209 V359 K360 L361	R136-D149 IonicContact CZ-OD1 2.7Å; R136-D149 IonicContact CZ-OD2 3.58Å; R136-D149 IonicContact NE-OD1 3.91Å; R136-D149 PolarHBondContact NE-OD1 2.87Å; R136-D149 IonicContact NE-OD2 2.71Å; R136-D149 PolarHBondContact NE-OD2 2.84Å; R136-D149 IonicContact NH2-OD1 3.23Å; R136-D149 IonicContact NH2-OD2 3.58Å; R136-D149 PolarHBondContact NH2-OD2 2.79Å; D149-D208 HydrophobicContact CB-CB 4.1Å; D149-C209 HydrophobicContact CB-CB 4.41Å; D149-C209 WeakPolarHBondContact OD2-CB 3.49Å; D149-V359 WeakPolarHBondContact CA-O 3.22Å; D149-K360 VanDerWaalsContact OD1-CA 3.25Å; D149-K360 WeakPolarHBondContact OD1-CA 3.36Å; D149-L361 PolarHBondContact OD1-N 3.09Å
150	G	95.9	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-166.1	-179.1	0	0	0	0	0	115.7	Y203 R358 V359	G150-Y203 CarbonylContact C-O 3.58Å; G150-Y203 WeakPolarHBondContact CA-O 3.26Å; G150-R358 CarbonylContact O-C 3.58Å; G150-R358 VanDerWaalsContact O-CA 3.3Å; G150-R358 WeakPolarHBondContact O-CA 3.49Å; G150-R358 WeakPolarHBondContact O-CD 3.2Å; G150-V359 PolarHBondContact N-O 2.96Å; G150-V359 PolarHBondContact O-N 2.64Å
151	E	95.6	Very high	91.1	Very high	57 Å²	57	31.8 Å²	31.8	27%	0.266	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.5	174	-173.4	-174.3	152	0	0	109.8	L153 I202 Y203	E151-L153 HydrophobicContact CB-CD2 4.47Å; E151-L153 HydrophobicContact CG-CD2 4.27Å; E151-L153 PolarHBondContact O-N 3.05Å; E151-I202 WeakPolarHBondContact O-CA 3.35Å; E151-Y203 PolarHBondContact N-O 2.84Å; E151-Y203 PolarHBondContact O-N 3.18Å
152	V	96.6	Very high	89.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.7	174.1	-179.6	0	0	0	0	108.4	C155 V201 I202 V353 P355 G356 Q357 V359	V152-C155 HydrophobicContact CG1-CB 4Å; V152-V201 CarbonylContact C-O 3.59Å; V152-I202 HydrophobicContact CG2-CG1 4.48Å; V152-V353 HydrophobicContact CG2-CB 4.26Å; V152-V353 HydrophobicContact CG2-CG2 4.24Å; V152-P355 CarbonylContact O-C 3.47Å; V152-P355 WeakPolarHBondContact O-CA 3.26Å; V152-G356 PolarHBondContact O-N 3.28Å; V152-Q357 PolarHBondContact N-O 2.81Å; V152-V359 HydrophobicContact CG2-CG1 3.77Å; V152-V359 HydrophobicContact CG2-CG2 4.08Å
153	L	92.9	Very high	88.2	Confident	8 Å²	8	32.5 Å²	32.5	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-35.5	178.9	-58.9	-168.2	0	0	0	112.4	E151 I168 V201 P235 Y245	E151-L153 HydrophobicContact CB-CD2 4.47Å; E151-L153 HydrophobicContact CG-CD2 4.27Å; E151-L153 PolarHBondContact O-N 3.05Å; L153-I168 HydrophobicContact CB-CB 4.45Å; L153-I168 HydrophobicContact CB-CD1 4.2Å; L153-I168 HydrophobicContact CB-CG1 4.32Å; L153-I168 HydrophobicContact CD1-CD1 4.34Å; L153-I168 HydrophobicContact CD2-CD1 4.05Å; L153-I168 HydrophobicContact CG-CD1 4.43Å; L153-V201 HydrophobicContact CB-CB 4.32Å; L153-V201 HydrophobicContact CB-CG1 4.01Å; L153-V201 HydrophobicContact CD1-CG1 4.22Å; L153-V201 HydrophobicContact CG-CG1 4.39Å; L153-V201 PolarHBondContact N-O 2.72Å; L153-P235 HydrophobicContact CD2-CB 4.23Å; L153-P235 HydrophobicContact CD2-CG 3.7Å; L153-Y245 WeakPolarHBondContact CD1-OH 2.91Å
154	H	92.6	Very high	86.8	Confident	25 Å²	25	33.8 Å²	33.8	12%	0.116	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	144.2	177.9	-176.1	81.7	0	0	0	109.8	E166 Q199 C200 V201	H154-E166 IonicContact CE1-OE2 2.64Å; H154-E166 PolarHBondContact CE1-OE2 2.83Å; H154-E166 IonicContact ND1-OE2 2.78Å; H154-E166 IonicContact NE2-OE2 3.49Å; H154-Q199 PolarHBondContact CD2-NE2 3.24Å; H154-Q199 PolarHBondContact NE2-NE2 3.09Å; H154-C200 WeakPolarHBondContact O-CA 3.47Å; H154-V201 HydrophobicContact CB-CB 4.39Å; H154-V201 HydrophobicContact CB-CG2 4.38Å; H154-V201 PolarHBondContact O-N 2.76Å
155	C	94.1	Very high	85.6	Confident	18 Å²	18	33.8 Å²	33.8	12%	0.122	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	143.4	172.3	60	0	0	0	0	110.3	V152 Q199 W351	V152-C155 HydrophobicContact CG1-CB 4Å; C155-Q199 VanDerWaalsContact CA-O 3.28Å; C155-Q199 WeakPolarHBondContact CA-O 3.35Å; C155-W351 HydrophobicContact CB-CD2 4.46Å; C155-W351 HydrophobicContact CB-CE3 3.82Å; C155-W351 HydrophobicContact CB-CH2 3.8Å; C155-W351 HydrophobicContact CB-CZ2 4.42Å; C155-W351 HydrophobicContact CB-CZ3 3.47Å; C155-W351 VanDerWaalsContact CB-CZ3 3.47Å
156	G	92.1	Very high	84.5	Confident	7 Å²	7	35.9 Å²	35.9	7%	0.072	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-177.7	176.8	0	0	0	0	0	114.2	H198 Q199 W351	G156-H198 CarbonylContact O-C 3.51Å; G156-H198 WeakPolarHBondContact O-CA 3.49Å; G156-Q199 PolarHBondContact N-O 2.81Å; G156-Q199 PolarHBondContact O-N 3.16Å; G156-W351 VanDerWaalsContact N-CZ2 3.35Å
157	P	89.2	Confident	83.4	Confident	89 Å²	89	35.9 Å²	35.9	58%	0.578	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.2	176.9	29.4	-34.5	0	0	0	111.3	L197	P157-L197 CarbonylContact C-O 3.5Å; P157-L197 WeakPolarHBondContact CA-O 3.4Å
158	I	86	Confident	81.8	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.046	20%	0.196	C	C	.	.			trans	-90.2	132.7	171.4	-63.4	162.2	0	0	0	108.1	S160 L165 L197 Q199 V341	I158-S160 PolarHBondContact O-N 3.31Å; I158-S160 VanDerWaalsContact O-N 3.08Å; I158-L165 HydrophobicContact CD1-CD2 3.35Å; I158-L165 HydrophobicContact CG1-CD2 3.93Å; I158-L197 HydrophobicContact CB-CB 4.35Å; I158-L197 HydrophobicContact CB-CD2 4.33Å; I158-L197 HydrophobicContact CD1-CB 4.43Å; I158-L197 HydrophobicContact CD1-CD2 3.59Å; I158-L197 HydrophobicContact CD1-CG 3.77Å; I158-L197 HydrophobicContact CG2-CD2 4.4Å; I158-L197 PolarHBondContact N-O 3.36Å; I158-Q199 HydrophobicContact CD1-CB 3.94Å; I158-Q199 HydrophobicContact CD1-CG 4.31Å; I158-Q199 HydrophobicContact CG1-CB 4.01Å; I158-Q199 HydrophobicContact CG1-CG 3.81Å; I158-V341 HydrophobicContact CD1-CG1 3.75Å; I158-V341 HydrophobicContact CD1-CG2 4.46Å
159	N	75.2	Confident	80.1	Confident	93 Å²	93	44.3 Å²	44.3	50%	0.497	23%	0.231	S	C	.	.			trans	-74.4	102.8	172.8	-173.8	-15.4	0	0	0	110	K161 N162 A163	N159-K161 PolarHBondContact O-N 3.39Å; N159-K161 VanDerWaalsContact O-N 3.08Å; N159-K161 WeakPolarHBondContact OD1-CB 3.44Å; N159-K161 PolarHBondContact OD1-N 2.9Å; N159-N162 PolarHBondContact O-N 3.45Å; N159-N162 VanDerWaalsContact O-N 3.13Å; N159-A163 PolarHBondContact O-N 3.22Å; N159-A163 VanDerWaalsContact O-N 3.16Å
160	S	65.2	Low	78.2	Confident	48 Å²	48	46.1 Å²	46.1	34%	0.336	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24	179.4	-52.2	0	0	0	0	113.9	I158 N162	I158-S160 PolarHBondContact O-N 3.31Å; I158-S160 VanDerWaalsContact O-N 3.08Å; S160-N162 VanDerWaalsContact C-N 3.33Å; S160-N162 PolarHBondContact O-N 2.79Å
161	K	62.3	Low	76.7	Confident	190 Å²	190	47.3 Å²	47.3	83%	0.826	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.9	179.8	-64.9	-172.1	176.3	-175.6	0	113.2	N159	N159-K161 PolarHBondContact O-N 3.39Å; N159-K161 VanDerWaalsContact O-N 3.08Å; N159-K161 WeakPolarHBondContact OD1-CB 3.44Å; N159-K161 PolarHBondContact OD1-N 2.9Å
162	N	63.3	Low	75.6	Confident	99 Å²	99	50.7 Å²	50.7	53%	0.529	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-16.4	-177.4	-62.1	-9.9	0	0	0	111.9	N159 S160 V164	N159-N162 PolarHBondContact O-N 3.45Å; N159-N162 VanDerWaalsContact O-N 3.13Å; S160-N162 VanDerWaalsContact C-N 3.33Å; S160-N162 PolarHBondContact O-N 2.79Å; N162-V164 HydrophobicContact CB-CG2 3.91Å; N162-V164 WeakPolarHBondContact O-CG2 3.43Å; N162-V164 PolarHBondContact O-N 2.89Å
163	A	67.3	Low	74.5	Confident	18 Å²	18	50.9 Å²	50.9	15%	0.149	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.1	-177.1	0	0	0	0	0	112.7	N159 L175 I185	N159-A163 PolarHBondContact O-N 3.22Å; N159-A163 VanDerWaalsContact O-N 3.16Å; A163-L175 HydrophobicContact CB-CB 4.4Å; A163-L175 WeakPolarHBondContact O-CB 3.38Å; A163-L175 PolarHBondContact O-N 2.86Å; A163-I185 HydrophobicContact CB-CD1 3.49Å; A163-I185 VanDerWaalsContact CB-CD1 3.49Å
164	V	67.6	Low	73.7	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.9	-176.1	-174.9	0	0	0	0	110.2	N162 R172 Y173	N162-V164 HydrophobicContact CB-CG2 3.91Å; N162-V164 WeakPolarHBondContact O-CG2 3.43Å; N162-V164 PolarHBondContact O-N 2.89Å; V164-R172 HydrophobicContact CG1-CB 3.32Å; V164-R172 HydrophobicContact CG1-CG 3.46Å; V164-R172 VanDerWaalsContact CG1-CG 3.46Å; V164-Y173 CarbonylContact C-O 3.15Å; V164-Y173 WeakPolarHBondContact CA-O 3.3Å; V164-Y173 WeakPolarHBondContact CG1-O 3.46Å
165	L	71.9	Confident	73.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	152.3	170.5	-67.4	172.2	0	0	0	110.5	I158 R172 Y173 L175 F178 Q199 V341	I158-L165 HydrophobicContact CD1-CD2 3.35Å; I158-L165 HydrophobicContact CG1-CD2 3.93Å; L165-R172 CarbonylContact O-C 3.58Å; L165-R172 VanDerWaalsContact O-CA 3.23Å; L165-R172 WeakPolarHBondContact O-CA 3.46Å; L165-Y173 HydrophobicContact CB-CD1 4.02Å; L165-Y173 HydrophobicContact CB-CD2 3.9Å; L165-Y173 HydrophobicContact CB-CE1 3.57Å; L165-Y173 HydrophobicContact CB-CE2 3.5Å; L165-Y173 VanDerWaalsContact CB-CE2 3.5Å; L165-Y173 HydrophobicContact CB-CG 4.16Å; L165-Y173 HydrophobicContact CD1-CD2 3.99Å; L165-Y173 HydrophobicContact CD1-CE2 3.23Å; L165-Y173 HydrophobicContact CG-CE2 3.98Å; L165-Y173 PolarHBondContact N-O 2.92Å; L165-Y173 PolarHBondContact O-N 3.45Å; L165-L175 HydrophobicContact CD1-CD1 3.67Å; L165-L175 HydrophobicContact CD2-CD1 3.73Å; L165-L175 HydrophobicContact CG-CB 4.3Å; L165-L175 HydrophobicContact CG-CD1 3.7Å; L165-F178 HydrophobicContact CD1-CB 3.83Å; L165-F178 HydrophobicContact CD1-CD1 3.51Å; L165-F178 HydrophobicContact CD1-CE1 4.33Å; L165-F178 HydrophobicContact CD1-CG 3.87Å; L165-Q199 VanDerWaalsContact CA-OE1 3.28Å; L165-Q199 HydrophobicContact CD2-CB 4.09Å; L165-V341 HydrophobicContact CD1-CG2 4.31Å; L165-V341 HydrophobicContact CD2-CG2 3.74Å
166	E	75.7	Confident	72.5	Confident	44 Å²	44	53.9 Å²	53.9	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.5	176.4	-54.3	-161.4	164.6	0	0	109.6	H154 I171 R172	H154-E166 IonicContact CE1-OE2 2.64Å; H154-E166 PolarHBondContact CE1-OE2 2.83Å; H154-E166 IonicContact ND1-OE2 2.78Å; H154-E166 IonicContact NE2-OE2 3.49Å; E166-I171 CarbonylContact C-O 3.55Å; E166-I171 WeakPolarHBondContact CA-O 2.99Å; E166-R172 HydrophobicContact CG-CG 4.06Å; E166-R172 IonicContact OE1-CZ 3.26Å; E166-R172 IonicContact OE1-NE 3.42Å; E166-R172 PolarHBondContact OE1-NE 2.73Å; E166-R172 VanDerWaalsContact OE1-NE 3.1Å; E166-R172 IonicContact OE1-NH2 3.36Å; E166-R172 PolarHBondContact OE1-NH2 2.92Å
167	Q	74.9	Confident	71.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.			trans	-82.9	-64.9	-176.2	174.1	164.1	-53.7	0	0	110.5	I171 Y173 A238 L241 Y245	Q167-I171 HydrophobicContact CB-CB 4.32Å; Q167-I171 HydrophobicContact CB-CG2 3.96Å; Q167-I171 HydrophobicContact CG-CG2 4.39Å; Q167-I171 PolarHBondContact N-O 2.91Å; Q167-Y173 HydrophobicContact CB-CD1 3.89Å; Q167-Y173 HydrophobicContact CB-CE1 3.78Å; Q167-A238 HydrophobicContact CG-CB 4.34Å; Q167-A238 PolarHBondContact NE2-O 2.84Å; Q167-L241 PolarHBondContact NE2-O 3.43Å; Q167-Y245 HydrophobicContact CB-CD2 4.34Å; Q167-Y245 HydrophobicContact CB-CE2 4.01Å; Q167-Y245 HydrophobicContact CG-CD2 3.96Å; Q167-Y245 HydrophobicContact CG-CE2 3.45Å; Q167-Y245 VanDerWaalsContact CG-CE2 3.45Å
168	I	65.8	Low	71.8	Confident	11 Å²	11	50.6 Å²	50.6	6%	0.056	26%	0.263	C	S	.	.	S	Bend	trans	-166.7	144.8	175.6	-168.2	173.4	0	0	0	108	L153 G170 I171 P235 A238	L153-I168 HydrophobicContact CB-CB 4.45Å; L153-I168 HydrophobicContact CB-CD1 4.2Å; L153-I168 HydrophobicContact CB-CG1 4.32Å; L153-I168 HydrophobicContact CD1-CD1 4.34Å; L153-I168 HydrophobicContact CD2-CD1 4.05Å; L153-I168 HydrophobicContact CG-CD1 4.43Å; I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 2.85Å; I168-I171 WeakPolarHBondContact O-CB 3.38Å; I168-I171 PolarHBondContact O-N 2.83Å; I168-P235 HydrophobicContact CD1-CB 3.79Å; I168-A238 HydrophobicContact CG2-CB 3.93Å
169	K	60.7	Low	71.8	Confident	166 Å²	166	50.2 Å²	50.2	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.3	173.6	-69	167.8	-178.2	-177.2	0	114	I171	K169-I171 PolarHBondContact O-N 2.86Å
170	G	57.4	Low	72.1	Confident	48 Å²	48	45.9 Å²	45.9	50%	0.495	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	0	177.3	0	0	0	0	0	115.4	I168	I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 2.85Å
171	I	63.6	Low	72.6	Confident	24 Å²	24	47.2 Å²	47.2	12%	0.123	25%	0.246	C	C	.	.			trans	-68.7	134	169.7	-72.1	-179.5	0	0	0	109.1	E166 Q167 I168 K169 A238 G239 P242	E166-I171 CarbonylContact C-O 3.55Å; E166-I171 WeakPolarHBondContact CA-O 2.99Å; Q167-I171 HydrophobicContact CB-CB 4.32Å; Q167-I171 HydrophobicContact CB-CG2 3.96Å; Q167-I171 HydrophobicContact CG-CG2 4.39Å; Q167-I171 PolarHBondContact N-O 2.91Å; I168-I171 WeakPolarHBondContact O-CB 3.38Å; I168-I171 PolarHBondContact O-N 2.83Å; K169-I171 PolarHBondContact O-N 2.86Å; I171-A238 WeakPolarHBondContact CD1-O 3.34Å; I171-G239 WeakPolarHBondContact CD1-O 2.81Å; I171-P242 HydrophobicContact CD1-CG 4.02Å; I171-P242 HydrophobicContact CG1-CG 4.2Å; I171-P242 VanDerWaalsContact CG2-CA 3.43Å; I171-P242 HydrophobicContact CG2-CB 3.6Å; I171-P242 HydrophobicContact CG2-CG 3.88Å
172	R	74.4	Confident	72.8	Confident	129 Å²	129	39.9 Å²	39.9	49%	0.487	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.1	-165.7	-90.3	178.2	-175.8	174.3	5.5	111.5	V164 L165 E166	V164-R172 HydrophobicContact CG1-CB 3.32Å; V164-R172 HydrophobicContact CG1-CG 3.46Å; V164-R172 VanDerWaalsContact CG1-CG 3.46Å; L165-R172 CarbonylContact O-C 3.58Å; L165-R172 VanDerWaalsContact O-CA 3.23Å; L165-R172 WeakPolarHBondContact O-CA 3.46Å; E166-R172 HydrophobicContact CG-CG 4.06Å; E166-R172 IonicContact OE1-CZ 3.26Å; E166-R172 IonicContact OE1-NE 3.42Å; E166-R172 PolarHBondContact OE1-NE 2.73Å; E166-R172 VanDerWaalsContact OE1-NE 3.1Å; E166-R172 IonicContact OE1-NH2 3.36Å; E166-R172 PolarHBondContact OE1-NH2 2.92Å
173	Y	72.7	Confident	72.7	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.1	176.1	60.1	-79.1	0	0	0	110.6	V164 L165 Q167 F178 Y245 T246	V164-Y173 CarbonylContact C-O 3.15Å; V164-Y173 WeakPolarHBondContact CA-O 3.3Å; V164-Y173 WeakPolarHBondContact CG1-O 3.46Å; L165-Y173 HydrophobicContact CB-CD1 4.02Å; L165-Y173 HydrophobicContact CB-CD2 3.9Å; L165-Y173 HydrophobicContact CB-CE1 3.57Å; L165-Y173 HydrophobicContact CB-CE2 3.5Å; L165-Y173 VanDerWaalsContact CB-CE2 3.5Å; L165-Y173 HydrophobicContact CB-CG 4.16Å; L165-Y173 HydrophobicContact CD1-CD2 3.99Å; L165-Y173 HydrophobicContact CD1-CE2 3.23Å; L165-Y173 HydrophobicContact CG-CE2 3.98Å; L165-Y173 PolarHBondContact N-O 2.92Å; L165-Y173 PolarHBondContact O-N 3.45Å; Q167-Y173 HydrophobicContact CB-CD1 3.89Å; Q167-Y173 HydrophobicContact CB-CE1 3.78Å; Y173-F178 HydrophobicContact CD2-CB 3.88Å; Y173-F178 HydrophobicContact CD2-CD2 4.17Å; Y173-F178 HydrophobicContact CD2-CG 4.14Å; Y173-F178 HydrophobicContact CE2-CB 3.73Å; Y173-F178 HydrophobicContact CE2-CD1 4.07Å; Y173-F178 AromaticContact CE2-CD2 3.59Å; Y173-F178 HydrophobicContact CE2-CD2 3.59Å; Y173-F178 HydrophobicContact CE2-CE2 4.2Å; Y173-F178 AromaticContact CE2-CG 3.53Å; Y173-F178 HydrophobicContact CE2-CG 3.53Å; Y173-Y245 AromaticContact CE1-CD2 3.84Å; Y173-Y245 HydrophobicContact CE1-CD2 3.84Å; Y173-Y245 HydrophobicContact CE1-CE2 4.45Å; Y173-Y245 AromaticContact CZ-CD2 3.77Å; Y173-T246 HydrophobicContact CD2-CG2 3.66Å; Y173-T246 HydrophobicContact CG-CG2 4.25Å
174	S	76.1	Confident	71.7	Confident	41 Å²	41	39.9 Å²	39.9	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.6	-174.9	164.8	0	0	0	0	111.7	D176 E177 F178	S174-D176 PolarHBondContact OG-N 3.22Å; S174-E177 PolarHBondContact O-N 2.9Å; S174-E177 PolarHBondContact OG-N 3.28Å; S174-E177 VanDerWaalsContact OG-N 3.16Å; S174-F178 WeakPolarHBondContact O-CB 3.37Å; S174-F178 PolarHBondContact O-N 2.94Å
175	L	82.2	Confident	70.8	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-46.2	174.2	-178.5	66.6	0	0	0	111	A163 L165 E177 F178 L179 I185 L197 V341	A163-L175 HydrophobicContact CB-CB 4.4Å; A163-L175 WeakPolarHBondContact O-CB 3.38Å; A163-L175 PolarHBondContact O-N 2.86Å; L165-L175 HydrophobicContact CD1-CD1 3.67Å; L165-L175 HydrophobicContact CD2-CD1 3.73Å; L165-L175 HydrophobicContact CG-CB 4.3Å; L165-L175 HydrophobicContact CG-CD1 3.7Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.44Å; L175-F178 PolarHBondContact O-N 2.9Å; L175-F178 VanDerWaalsContact O-N 3.14Å; L175-L179 HydrophobicContact CD1-CD1 3.43Å; L175-L179 VanDerWaalsContact CD1-CD1 3.43Å; L175-L179 HydrophobicContact CD1-CG 3.84Å; L175-L179 HydrophobicContact CG-CD1 4.06Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.49Å; L175-L179 PolarHBondContact O-N 2.83Å; L175-I185 HydrophobicContact CD2-CD1 3.71Å; L175-I185 HydrophobicContact CD2-CG1 4.45Å; L175-L197 HydrophobicContact CD2-CD2 3.65Å; L175-V341 HydrophobicContact CD1-CG1 4.15Å; L175-V341 HydrophobicContact CD1-CG2 4.41Å
176	D	79.9	Confident	69.3	Low	68 Å²	68	46.7 Å²	46.7	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-35.7	179.3	-69.2	-24.1	0	0	0	111.6	S174 F178 G180	S174-D176 PolarHBondContact OG-N 3.22Å; D176-F178 VanDerWaalsContact C-N 3.3Å; D176-G180 CarbonylContact O-C 3.59Å; D176-G180 WeakPolarHBondContact O-CA 3.2Å; D176-G180 PolarHBondContact O-N 3.01Å
177	E	78.3	Confident	67.7	Low	28 Å²	28	47.8 Å²	47.8	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-38.3	173.8	-169.1	-170.5	160.6	0	0	110.7	Y60 S174 L175 T246 R250 N299	Y60-E177 PolarHBondContact OH-OE2 2.9Å; S174-E177 PolarHBondContact O-N 2.9Å; S174-E177 PolarHBondContact OG-N 3.28Å; S174-E177 VanDerWaalsContact OG-N 3.16Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 3.44Å; E177-T246 HydrophobicContact CB-CG2 4.23Å; E177-T246 HydrophobicContact CG-CG2 3.92Å; E177-T246 WeakPolarHBondContact OE1-CB 3.27Å; E177-T246 PolarHBondContact OE1-OG1 3.14Å; E177-R250 PolarHBondContact O-NH2 2.97Å; E177-N299 HydrophobicContact CG-CB 3.87Å; E177-N299 PolarHBondContact OE1-ND2 2.79Å
178	F	86.5	Confident	66.4	Low	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-76.9	-50.9	-177.1	-173.9	-111.7	0	0	0	113.4	L165 Y173 S174 L175 D176 T246 R250 A265 V267 V339	L165-F178 HydrophobicContact CD1-CB 3.83Å; L165-F178 HydrophobicContact CD1-CD1 3.51Å; L165-F178 HydrophobicContact CD1-CE1 4.33Å; L165-F178 HydrophobicContact CD1-CG 3.87Å; Y173-F178 HydrophobicContact CD2-CB 3.88Å; Y173-F178 HydrophobicContact CD2-CD2 4.17Å; Y173-F178 HydrophobicContact CD2-CG 4.14Å; Y173-F178 HydrophobicContact CE2-CB 3.73Å; Y173-F178 HydrophobicContact CE2-CD1 4.07Å; Y173-F178 AromaticContact CE2-CD2 3.59Å; Y173-F178 HydrophobicContact CE2-CD2 3.59Å; Y173-F178 HydrophobicContact CE2-CE2 4.2Å; Y173-F178 AromaticContact CE2-CG 3.53Å; Y173-F178 HydrophobicContact CE2-CG 3.53Å; S174-F178 WeakPolarHBondContact O-CB 3.37Å; S174-F178 PolarHBondContact O-N 2.94Å; L175-F178 PolarHBondContact O-N 2.9Å; L175-F178 VanDerWaalsContact O-N 3.14Å; D176-F178 VanDerWaalsContact C-N 3.3Å; F178-T246 HydrophobicContact CB-CG2 4.13Å; F178-T246 HydrophobicContact CD2-CG2 4.24Å; F178-R250 PolarHBondContact O-NE 2.86Å; F178-R250 PolarHBondContact O-NH2 2.86Å; F178-A265 HydrophobicContact CE1-CB 3.59Å; F178-A265 HydrophobicContact CZ-CB 3.47Å; F178-A265 VanDerWaalsContact CZ-CB 3.47Å; F178-V267 HydrophobicContact CE2-CG2 3.99Å; F178-V267 HydrophobicContact CZ-CG2 3.98Å; F178-V339 HydrophobicContact CE1-CB 3.9Å; F178-V339 HydrophobicContact CE1-CG1 3.73Å; F178-V339 HydrophobicContact CE1-CG2 4.45Å; F178-V339 HydrophobicContact CZ-CB 3.72Å; F178-V339 HydrophobicContact CZ-CG1 4Å; F178-V339 HydrophobicContact CZ-CG2 3.85Å
179	L	86.8	Confident	65.4	Low	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-87.7	-15.8	-177	-60	-173.1	0	0	0	113	L175 M182 R224 V252 L254 S263 V341	L175-L179 HydrophobicContact CD1-CD1 3.43Å; L175-L179 VanDerWaalsContact CD1-CD1 3.43Å; L175-L179 HydrophobicContact CD1-CG 3.84Å; L175-L179 HydrophobicContact CG-CD1 4.06Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.49Å; L175-L179 PolarHBondContact O-N 2.83Å; L179-M182 HydrophobicContact CB-CG 4.22Å; L179-M182 HydrophobicContact CB-SD 4.26Å; L179-M182 HydrophobicContact CD1-CG 4.38Å; L179-R224 WeakPolarHBondContact O-CD 3.39Å; L179-R224 PolarHBondContact O-NH1 3.48Å; L179-V252 HydrophobicContact CD2-CG1 3.64Å; L179-L254 HydrophobicContact CD1-CD2 4.47Å; L179-L254 HydrophobicContact CD2-CD2 4.47Å; L179-S263 WeakPolarHBondContact CD2-OG 3.19Å; L179-V341 HydrophobicContact CD1-CB 4.4Å; L179-V341 HydrophobicContact CD1-CG1 4.26Å
180	G	80.9	Confident	64.6	Low	2 Å²	2	46.9 Å²	46.9	2%	0.021	29%	0.29	C	S	.	.			trans	84.3	169.6	-162.9	0	0	0	0	0	111	D176 M182 R224	D176-G180 CarbonylContact O-C 3.59Å; D176-G180 WeakPolarHBondContact O-CA 3.2Å; D176-G180 PolarHBondContact O-N 3.01Å; G180-M182 PolarHBondContact O-N 2.98Å; G180-M182 VanDerWaalsContact O-N 3.16Å; G180-R224 PolarHBondContact O-NH1 3.06Å
181	P	75.8	Confident	64.2	Low	76 Å²	76	53.8 Å²	53.8	49%	0.494	31%	0.306	S	S	.	.			trans	-57.7	121.6	179.6	25.4	-33.7	0	0	0	110.5	R224 Y312	P181-R224 PolarHBondContact O-NH1 2.87Å; P181-R224 PolarHBondContact O-NH2 2.87Å; P181-Y312 WeakPolarHBondContact CD-OH 3.39Å; P181-Y312 WeakPolarHBondContact CG-OH 3.47Å
182	M	68	Low	63.8	Low	35 Å²	35	57.7 Å²	57.7	17%	0.172	32%	0.322	C	S	.	.			trans	-97.5	9	179.8	-69.6	-60.4	-66.7	0	0	113	L179 G180 L188 L254 L261	L179-M182 HydrophobicContact CB-CG 4.22Å; L179-M182 HydrophobicContact CB-SD 4.26Å; L179-M182 HydrophobicContact CD1-CG 4.38Å; G180-M182 PolarHBondContact O-N 2.98Å; G180-M182 VanDerWaalsContact O-N 3.16Å; M182-L188 HydrophobicContact CB-CD1 4.28Å; M182-L188 HydrophobicContact CE-CD1 4.43Å; M182-L254 HydrophobicContact CE-CD1 4.15Å; M182-L254 HydrophobicContact CE-CD2 4.14Å; M182-L254 HydrophobicContact SD-CD1 3.54Å; M182-L254 VanDerWaalsContact SD-CD1 3.54Å; M182-L254 HydrophobicContact SD-CD2 4.07Å; M182-L254 HydrophobicContact SD-CG 4.45Å; M182-L261 HydrophobicContact CE-CD1 3.8Å; M182-L261 HydrophobicContact CE-CD2 3.9Å
183	G	60.4	Low	63.3	Low	50 Å²	50	57.5 Å²	57.5	52%	0.515	34%	0.341	S	S	.	.	S	Bend	trans	70.8	178.5	-157.8	0	0	0	0	0	110.2	I185	G183-I185 PolarHBondContact O-N 3.28Å; G183-I185 VanDerWaalsContact O-N 3.17Å
184	S	45.8	Very low	63.8	Low	68 Å²	68	60.9 Å²	60.9	48%	0.476	36%	0.359	S	S	.	.			trans	-58.9	128	174.9	57.6	0	0	0	0	108.2	E186 S187 L188	S184-E186 PolarHBondContact O-N 3.26Å; S184-S187 WeakPolarHBondContact O-CA 3.37Å; S184-S187 WeakPolarHBondContact O-CB 3.35Å; S184-S187 PolarHBondContact O-N 3.37Å; S184-S187 PolarHBondContact O-OG 3.02Å; S184-S187 WeakPolarHBondContact OG-CB 3.34Å; S184-S187 PolarHBondContact OG-N 2.86Å; S184-L188 PolarHBondContact O-N 2.9Å
185	I	48.4	Very low	64.3	Low	22 Å²	22	61.8 Å²	61.8	11%	0.113	36%	0.356	C	S	.	.	H	α-helix	trans	-56.6	-23.1	170.2	-66.8	164.7	0	0	0	110.1	A163 L175 G183 S187 L188 N189	A163-I185 HydrophobicContact CB-CD1 3.49Å; A163-I185 VanDerWaalsContact CB-CD1 3.49Å; L175-I185 HydrophobicContact CD2-CD1 3.71Å; L175-I185 HydrophobicContact CD2-CG1 4.45Å; G183-I185 PolarHBondContact O-N 3.28Å; G183-I185 VanDerWaalsContact O-N 3.17Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 2.94Å; I185-L188 WeakPolarHBondContact O-CB 3.45Å; I185-L188 PolarHBondContact O-N 2.82Å; I185-L188 VanDerWaalsContact O-N 3.15Å; I185-N189 WeakPolarHBondContact CG2-ND2 3.5Å; I185-N189 WeakPolarHBondContact O-CB 3.37Å; I185-N189 PolarHBondContact O-N 3.41Å
186	E	40.9	Very low	64.6	Low	159 Å²	159	63.5 Å²	63.5	74%	0.743	37%	0.367	S	S	*	.	H	α-helix	trans	-64.3	-24.8	168	-64.7	177.5	162.5	0	0	113.6	S184 G190	S184-E186 PolarHBondContact O-N 3.26Å; E186-G190 WeakPolarHBondContact O-CA 3.15Å; E186-G190 PolarHBondContact O-N 3.26Å
187	S	42.2	Very low	65.1	Low	67 Å²	67	60.8 Å²	60.8	47%	0.469	35%	0.352	S	S	.	.	H	α-helix	trans	-76.6	-29.5	169.3	71.6	0	0	0	0	112.5	S184 I185	S184-S187 WeakPolarHBondContact O-CA 3.37Å; S184-S187 WeakPolarHBondContact O-CB 3.35Å; S184-S187 PolarHBondContact O-N 3.37Å; S184-S187 PolarHBondContact O-OG 3.02Å; S184-S187 WeakPolarHBondContact OG-CB 3.34Å; S184-S187 PolarHBondContact OG-N 2.86Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 2.94Å
188	L	47.5	Very low	65.8	Low	55 Å²	55	60.4 Å²	60.4	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-73.8	-46.9	171.9	-68.8	168	0	0	0	111.4	M182 S184 I185 L261	M182-L188 HydrophobicContact CB-CD1 4.28Å; M182-L188 HydrophobicContact CE-CD1 4.43Å; S184-L188 PolarHBondContact O-N 2.9Å; I185-L188 WeakPolarHBondContact O-CB 3.45Å; I185-L188 PolarHBondContact O-N 2.82Å; I185-L188 VanDerWaalsContact O-N 3.15Å; L188-L261 HydrophobicContact CD1-CD2 4.34Å
189	N	44.5	Very low	66.2	Low	41 Å²	41	60.5 Å²	60.5	22%	0.219	35%	0.351	C	S	.	.	H	α-helix	trans	-78	-26.4	177.3	-72.1	-33.3	0	0	0	113	I185 K191 K192	I185-N189 WeakPolarHBondContact CG2-ND2 3.5Å; I185-N189 WeakPolarHBondContact O-CB 3.37Å; I185-N189 PolarHBondContact O-N 3.41Å; N189-K191 VanDerWaalsContact C-N 3.25Å; N189-K191 PolarHBondContact O-N 2.8Å; N189-K192 CarbonylContact O-C 3.47Å; N189-K192 PolarHBondContact O-N 3.3Å
190	G	44.9	Very low	66.7	Low	63 Å²	63	60.4 Å²	60.4	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.5	-170	0	0	0	0	0	115.5	E186	E186-G190 WeakPolarHBondContact O-CA 3.15Å; E186-G190 PolarHBondContact O-N 3.26Å
191	K	48.5	Very low	67.4	Low	192 Å²	192	60.3 Å²	60.3	84%	0.835	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-12.7	167.6	-79.7	-175.8	176.5	177.1	0	114.2	N189	N189-K191 VanDerWaalsContact C-N 3.25Å; N189-K191 PolarHBondContact O-N 2.8Å
192	K	55.8	Low	68.4	Low	106 Å²	106	56.7 Å²	56.7	46%	0.461	33%	0.326	S	S	.	.			trans	-151.5	89.4	-176.7	-66.9	-177.9	-179.1	168.2	0	111.9	N189 D194 R195	N189-K192 CarbonylContact O-C 3.47Å; N189-K192 PolarHBondContact O-N 3.3Å; K192-D194 PolarHBondContact O-N 2.77Å; K192-R195 HydrophobicContact CB-CG 4.41Å; K192-R195 PolarHBondContact O-N 3.21Å
193	S	63.8	Low	69.6	Low	126 Å²	126	56 Å²	56	88%	0.881	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-5.8	177.9	62.1	0	0	0	0	115.7
194	D	82.9	Confident	71.2	Confident	75 Å²	75	53.6 Å²	53.6	40%	0.401	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	17.1	-177.8	-164.7	27.6	0	0	0	113.1	K192 P345 T346 K348	K192-D194 PolarHBondContact O-N 2.77Å; D194-P345 CarbonylContact O-C 3.57Å; D194-P345 VanDerWaalsContact O-CA 3.3Å; D194-P345 WeakPolarHBondContact O-CA 3.43Å; D194-T346 VanDerWaalsContact C-OG1 3.27Å; D194-T346 PolarHBondContact O-N 3.34Å; D194-T346 PolarHBondContact O-OG1 3.18Å; D194-K348 IonicContact OD2-NZ 3.38Å; D194-K348 PolarHBondContact OD2-NZ 2.74Å
195	R	86.4	Confident	73.3	Confident	60 Å²	60	51.5 Å²	51.5	23%	0.226	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.8	179.7	-62.9	178.6	-178.7	-172.2	-9.7	111.7	K192 H259 E343 A344 T346	K192-R195 HydrophobicContact CB-CG 4.41Å; K192-R195 PolarHBondContact O-N 3.21Å; R195-H259 WeakPolarHBondContact CD-O 3.42Å; R195-H259 PolarHBondContact NE-O 2.88Å; R195-H259 PolarHBondContact NH1-O 3.11Å; R195-E343 IonicContact NH1-OE2 2.85Å; R195-E343 PolarHBondContact NH1-OE2 2.85Å; R195-A344 CarbonylContact C-O 3.5Å; R195-A344 WeakPolarHBondContact CA-O 3.4Å; R195-T346 PolarHBondContact N-OG1 3.43Å
196	T	88.7	Confident	75.2	Confident	40 Å²	40	51.7 Å²	51.7	25%	0.245	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.5	174.6	43.4	0	0	0	0	109.3	H198 E343 A344 T346	T196-H198 PolarHBondContact O-CD2 3.3Å; T196-H198 VanDerWaalsContact O-CD2 3.25Å; T196-H198 PolarHBondContact OG1-NE2 3.32Å; T196-E343 WeakPolarHBondContact O-CA 3.29Å; T196-A344 PolarHBondContact N-O 3.05Å; T196-A344 PolarHBondContact O-N 2.61Å; T196-A344 PolarHBondContact OG1-O 2.91Å; T196-T346 HydrophobicContact CG2-CG2 3.97Å; T196-T346 WeakPolarHBondContact CG2-OG1 3.36Å
197	L	90.5	Very high	77.5	Confident	11 Å²	11	44.4 Å²	44.4	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.8	174.3	-161.4	74	0	0	0	109.3	P157 I158 L175 L261 V341 F342 E343	P157-L197 CarbonylContact C-O 3.5Å; P157-L197 WeakPolarHBondContact CA-O 3.4Å; I158-L197 HydrophobicContact CB-CB 4.35Å; I158-L197 HydrophobicContact CB-CD2 4.33Å; I158-L197 HydrophobicContact CD1-CB 4.43Å; I158-L197 HydrophobicContact CD1-CD2 3.59Å; I158-L197 HydrophobicContact CD1-CG 3.77Å; I158-L197 HydrophobicContact CG2-CD2 4.4Å; I158-L197 PolarHBondContact N-O 3.36Å; L175-L197 HydrophobicContact CD2-CD2 3.65Å; L197-L261 HydrophobicContact CD1-CD2 4.1Å; L197-V341 HydrophobicContact CD1-CG1 3.93Å; L197-V341 HydrophobicContact CD2-CG1 3.85Å; L197-V341 HydrophobicContact CG-CG1 3.86Å; L197-F342 CarbonylContact C-O 3.55Å; L197-E343 HydrophobicContact CD1-CG 3.98Å
198	H	93.1	Very high	79.8	Confident	19 Å²	19	41.9 Å²	41.9	9%	0.088	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.1	-179.4	-69.2	-101.6	0	0	0	110.5	G156 T196 V341 F342 W351	G156-H198 CarbonylContact O-C 3.51Å; G156-H198 WeakPolarHBondContact O-CA 3.49Å; T196-H198 PolarHBondContact O-CD2 3.3Å; T196-H198 VanDerWaalsContact O-CD2 3.25Å; T196-H198 PolarHBondContact OG1-NE2 3.32Å; H198-V341 CarbonylContact O-C 3.5Å; H198-V341 VanDerWaalsContact O-CA 3.29Å; H198-V341 WeakPolarHBondContact O-CA 3.16Å; H198-F342 HydrophobicContact CB-CD2 4.11Å; H198-F342 HydrophobicContact CB-CE1 4.18Å; H198-F342 HydrophobicContact CB-CE2 3.57Å; H198-F342 HydrophobicContact CB-CZ 3.59Å; H198-F342 PolarHBondContact N-O 2.92Å; H198-F342 PolarHBondContact O-N 2.69Å; H198-W351 HydrophobicContact CB-CZ2 4.01Å; H198-W351 AromaticContact ND1-CE2 3.97Å; H198-W351 AromaticContact ND1-CZ2 3.62Å; H198-W351 AromaticContact ND1-NE1 3.69Å
199	Q	95	Very high	82	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.1	172.5	54.4	-176.7	-4.7	0	0	111.7	H154 C155 G156 I158 L165 L340 V341 W351	H154-Q199 PolarHBondContact CD2-NE2 3.24Å; H154-Q199 PolarHBondContact NE2-NE2 3.09Å; C155-Q199 VanDerWaalsContact CA-O 3.28Å; C155-Q199 WeakPolarHBondContact CA-O 3.35Å; G156-Q199 PolarHBondContact N-O 2.81Å; G156-Q199 PolarHBondContact O-N 3.16Å; I158-Q199 HydrophobicContact CD1-CB 3.94Å; I158-Q199 HydrophobicContact CD1-CG 4.31Å; I158-Q199 HydrophobicContact CG1-CB 4.01Å; I158-Q199 HydrophobicContact CG1-CG 3.81Å; L165-Q199 VanDerWaalsContact CA-OE1 3.28Å; L165-Q199 HydrophobicContact CD2-CB 4.09Å; Q199-L340 CarbonylContact C-O 3.58Å; Q199-L340 WeakPolarHBondContact CA-O 3.23Å; Q199-V341 HydrophobicContact CB-CG2 4.49Å; Q199-W351 VanDerWaalsContact O-CH2 3.25Å; Q199-W351 WeakPolarHBondContact O-CH2 3.42Å
200	C	96	Very high	84.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.7	165.7	-170.6	0	0	0	0	109.5	H154 V339 L340 W351	H154-C200 WeakPolarHBondContact O-CA 3.47Å; C200-V339 WeakPolarHBondContact O-CA 3.36Å; C200-L340 HydrophobicContact CB-CB 4.28Å; C200-L340 PolarHBondContact N-O 3.47Å; C200-L340 PolarHBondContact O-N 2.94Å; C200-W351 HydrophobicContact CB-CH2 4.18Å; C200-W351 HydrophobicContact CB-CZ3 4.16Å
201	V	96	Very high	86.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.2	179.9	-179.7	0	0	0	0	108.2	V152 L153 H154 Y245 T337 V339	V152-V201 CarbonylContact C-O 3.59Å; L153-V201 HydrophobicContact CB-CB 4.32Å; L153-V201 HydrophobicContact CB-CG1 4.01Å; L153-V201 HydrophobicContact CD1-CG1 4.22Å; L153-V201 HydrophobicContact CG-CG1 4.39Å; L153-V201 PolarHBondContact N-O 2.72Å; H154-V201 HydrophobicContact CB-CB 4.39Å; H154-V201 HydrophobicContact CB-CG2 4.38Å; H154-V201 PolarHBondContact O-N 2.76Å; V201-Y245 HydrophobicContact CG1-CE2 3.71Å; V201-Y245 WeakPolarHBondContact CG1-OH 3.23Å; V201-T337 HydrophobicContact CG1-CG2 3.72Å; V201-V339 HydrophobicContact CG1-CG2 4.29Å; V201-V339 HydrophobicContact CG2-CG1 4.17Å; V201-V339 HydrophobicContact CG2-CG2 4.26Å
202	I	96.6	Very high	89	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120	-177.9	-49.8	173.3	0	0	0	109.4	P147 V148 E151 V152 T337 V338 V359	P147-I202 HydrophobicContact CG-CD1 4.31Å; V148-I202 HydrophobicContact CG2-CB 3.95Å; V148-I202 HydrophobicContact CG2-CD1 4.21Å; V148-I202 HydrophobicContact CG2-CG2 3.52Å; E151-I202 WeakPolarHBondContact O-CA 3.35Å; V152-I202 HydrophobicContact CG2-CG1 4.48Å; I202-T337 WeakPolarHBondContact O-CA 3.05Å; I202-T337 WeakPolarHBondContact O-CG2 3.31Å; I202-V338 PolarHBondContact N-O 3.3Å; I202-V338 PolarHBondContact O-N 3.32Å; I202-V359 HydrophobicContact CD1-CG2 4.44Å; I202-V359 HydrophobicContact CG2-CG2 4.08Å
203	Y	93.9	Very high	91	Very high	20 Å²	20	23.1 Å²	23.1	8%	0.078	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132	176.7	165.6	-110.4	0	0	0	111.2	G150 E151 A205 V233 P235	G150-Y203 CarbonylContact C-O 3.58Å; G150-Y203 WeakPolarHBondContact CA-O 3.26Å; E151-Y203 PolarHBondContact N-O 2.84Å; E151-Y203 PolarHBondContact O-N 3.18Å; Y203-A205 HydrophobicContact CE1-CB 3.82Å; Y203-V233 HydrophobicContact CD2-CG2 3.83Å; Y203-V233 HydrophobicContact CE2-CG2 3.82Å; Y203-P235 HydrophobicContact CD1-CG 3.89Å; Y203-P235 HydrophobicContact CE1-CG 4.24Å; Y203-P235 HydrophobicContact CG-CG 4.37Å
204	L	93.9	Very high	92.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.1	176.9	-62.2	82.1	0	0	0	108.8	V148 C209 H210 S336 V338	V148-L204 HydrophobicContact CB-CD1 4.38Å; V148-L204 HydrophobicContact CB-CD2 3.96Å; V148-L204 HydrophobicContact CB-CG 4.18Å; V148-L204 HydrophobicContact CG1-CD1 4.34Å; V148-L204 HydrophobicContact CG1-CD2 3.92Å; V148-L204 HydrophobicContact CG1-CG 4.45Å; V148-L204 HydrophobicContact CG2-CD1 4.09Å; V148-L204 HydrophobicContact CG2-CG 4.21Å; L204-C209 WeakPolarHBondContact CD2-O 3.4Å; L204-H210 VanDerWaalsContact CB-CE1 3.45Å; L204-H210 WeakPolarHBondContact CB-CE1 3.29Å; L204-H210 PolarHBondContact O-CE1 2.99Å; L204-S336 PolarHBondContact N-O 3.17Å; L204-V338 HydrophobicContact CD1-CG2 4.18Å
205	A	90.4	Very high	93.4	Very high	23 Å²	23	13.5 Å²	13.5	19%	0.19	7%	0.071	C	C	.	.			trans	-74.4	157.4	176	0	0	0	0	0	110.8	Y203 G207 D208 H210	Y203-A205 HydrophobicContact CE1-CB 3.82Å; A205-G207 PolarHBondContact O-N 2.76Å; A205-D208 WeakPolarHBondContact CA-OD2 3.42Å; A205-D208 WeakPolarHBondContact CB-OD2 3.27Å; A205-D208 PolarHBondContact N-OD2 3.28Å; A205-D208 VanDerWaalsContact O-CB 3.26Å; A205-D208 WeakPolarHBondContact O-CB 3.25Å; A205-D208 PolarHBondContact O-N 2.95Å; A205-H210 PolarHBondContact O-NE2 3.3Å
206	P	87.2	Confident	93.9	Very high	26 Å²	26	10.7 Å²	10.7	17%	0.169	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	-174.3	-24.4	33.4	0	0	0	116.2	Y101 F105 F127	Y101-P206 WeakPolarHBondContact CE1-O 3.49Å; Y101-P206 VanDerWaalsContact OH-CB 3.3Å; Y101-P206 WeakPolarHBondContact OH-CB 3.37Å; Y101-P206 PolarHBondContact OH-O 2.88Å; F105-P206 HydrophobicContact CB-CB 4.38Å; F105-P206 HydrophobicContact CD1-CB 3.73Å; F105-P206 HydrophobicContact CD1-CG 4Å; F105-P206 HydrophobicContact CD2-CB 4.45Å; F105-P206 HydrophobicContact CE1-CB 4.08Å; F105-P206 HydrophobicContact CE1-CG 4.1Å; F105-P206 HydrophobicContact CG-CB 3.93Å; F127-P206 HydrophobicContact CE2-CB 4.3Å
207	G	88.8	Confident	94.3	Very high	6 Å²	6	12.5 Å²	12.5	6%	0.062	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.7	175.8	0	0	0	0	0	114.1	F105 R129 A205	F105-G207 WeakPolarHBondContact O-CA 3.36Å; R129-G207 PolarHBondContact NH2-O 2.86Å; A205-G207 PolarHBondContact O-N 2.76Å
208	D	92.4	Very high	94.6	Very high	14 Å²	14	12.1 Å²	12.1	8%	0.075	6%	0.064	C	C	.	.	S	Bend	trans	-79.9	170.8	-176.7	-61.5	-22.2	0	0	0	111	R129 D149 A205 H210 R358	R129-D208 PolarHBondContact NH2-O 3.4Å; D149-D208 HydrophobicContact CB-CB 4.1Å; A205-D208 WeakPolarHBondContact CA-OD2 3.42Å; A205-D208 WeakPolarHBondContact CB-OD2 3.27Å; A205-D208 PolarHBondContact N-OD2 3.28Å; A205-D208 VanDerWaalsContact O-CB 3.26Å; A205-D208 WeakPolarHBondContact O-CB 3.25Å; A205-D208 PolarHBondContact O-N 2.95Å; D208-H210 PolarHBondContact O-CD2 3.28Å; D208-H210 VanDerWaalsContact O-CD2 3.27Å; D208-R358 IonicContact OD1-CZ 3.71Å; D208-R358 IonicContact OD1-NH1 3.2Å; D208-R358 PolarHBondContact OD1-NH1 2.9Å; D208-R358 IonicContact OD1-NH2 3.77Å; D208-R358 PolarHBondContact OD1-NH2 2.83Å; D208-R358 IonicContact OD2-CZ 3.53Å; D208-R358 IonicContact OD2-NH1 3.48Å; D208-R358 PolarHBondContact OD2-NH1 3.45Å; D208-R358 IonicContact OD2-NH2 3.15Å; D208-R358 PolarHBondContact OD2-NH2 2.7Å
209	C	93.1	Very high	94.6	Very high	7 Å²	7	13.6 Å²	13.6	5%	0.047	7%	0.072	C	C	.	.			trans	-76.4	124.6	166.1	-176.5	0	0	0	0	109	I131 D149 L204 R211	I131-C209 HydrophobicContact CD1-CB 4.47Å; I131-C209 HydrophobicContact CG1-CB 3.76Å; D149-C209 HydrophobicContact CB-CB 4.41Å; D149-C209 WeakPolarHBondContact OD2-CB 3.49Å; L204-C209 WeakPolarHBondContact CD2-O 3.4Å; C209-R211 VanDerWaalsContact C-N 3.34Å
210	H	93.6	Very high	94.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.			trans	-97.3	17.6	-179.2	-74.8	-91.2	0	0	0	114.1	F127 L204 A205 D208 Y331 F332 S336	F127-H210 HydrophobicContact CD1-CB 3.8Å; F127-H210 AromaticContact CD1-CD2 3.65Å; F127-H210 AromaticContact CD1-CG 3.68Å; F127-H210 HydrophobicContact CE1-CB 3.59Å; F127-H210 AromaticContact CE1-CD2 3.01Å; F127-H210 WeakPolarHBondContact CE1-CD2 3.38Å; F127-H210 AromaticContact CE1-CE1 3.5Å; F127-H210 AromaticContact CE1-CG 3.01Å; F127-H210 AromaticContact CE1-ND1 3.33Å; F127-H210 VanDerWaalsContact CE1-ND1 3.33Å; F127-H210 WeakPolarHBondContact CE1-ND1 3.29Å; F127-H210 AromaticContact CE1-NE2 3.32Å; F127-H210 VanDerWaalsContact CE1-NE2 3.32Å; F127-H210 WeakPolarHBondContact CE1-NE2 3.29Å; F127-H210 AromaticContact CE2-CD2 3.92Å; F127-H210 AromaticContact CE2-NE2 3.77Å; F127-H210 AromaticContact CZ-CD2 3.2Å; F127-H210 WeakPolarHBondContact CZ-CD2 3.23Å; F127-H210 AromaticContact CZ-CE1 3.36Å; F127-H210 WeakPolarHBondContact CZ-CE1 3.29Å; F127-H210 AromaticContact CZ-CG 3.64Å; F127-H210 AromaticContact CZ-ND1 3.72Å; F127-H210 AromaticContact CZ-NE2 2.99Å; F127-H210 WeakPolarHBondContact CZ-NE2 3.33Å; L204-H210 VanDerWaalsContact CB-CE1 3.45Å; L204-H210 WeakPolarHBondContact CB-CE1 3.29Å; L204-H210 PolarHBondContact O-CE1 2.99Å; A205-H210 PolarHBondContact O-NE2 3.3Å; D208-H210 PolarHBondContact O-CD2 3.28Å; D208-H210 VanDerWaalsContact O-CD2 3.27Å; H210-Y331 CarbonylContact O-C 3.57Å; H210-Y331 VanDerWaalsContact O-CA 3.3Å; H210-Y331 WeakPolarHBondContact O-CA 3.25Å; H210-F332 HydrophobicContact CB-CB 4.42Å; H210-F332 PolarHBondContact O-N 3.47Å; H210-S336 PolarHBondContact ND1-OG 3.47Å
211	R	95.3	Very high	94.4	Very high	29 Å²	29	15.6 Å²	15.6	11%	0.109	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.5	163.7	-59.5	-178	170.3	-95.3	-14.2	108.5	I128 K130 C209 E328 G330	I128-R211 VanDerWaalsContact O-CZ 3.3Å; I128-R211 PolarHBondContact O-NE 3.2Å; I128-R211 PolarHBondContact O-NH2 2.97Å; K130-R211 VanDerWaalsContact CG-NE 3.29Å; C209-R211 VanDerWaalsContact C-N 3.34Å; R211-E328 WeakPolarHBondContact CD-OE2 3.49Å; R211-E328 IonicContact CZ-OE2 3.63Å; R211-E328 IonicContact NE-OE2 3.99Å; R211-E328 IonicContact NH1-OE1 2.84Å; R211-E328 PolarHBondContact NH1-OE1 2.9Å; R211-E328 IonicContact NH1-OE2 3.73Å; R211-E328 PolarHBondContact NH1-OE2 3.45Å; R211-G330 WeakPolarHBondContact CA-O 3.33Å
212	F	96.5	Very high	94.2	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.4	177.2	56.1	-98.7	0	0	0	110.4	P147 V148 F264 A266 I275 V277 F329 G330 Y331 F332 V338	P147-F212 WeakPolarHBondContact O-CA 3.08Å; V148-F212 HydrophobicContact CG1-CB 3.45Å; V148-F212 VanDerWaalsContact CG1-CB 3.45Å; F212-F264 HydrophobicContact CB-CZ 3.92Å; F212-F264 AromaticContact CD2-CE1 3.61Å; F212-F264 HydrophobicContact CD2-CE1 3.61Å; F212-F264 AromaticContact CD2-CZ 3.61Å; F212-F264 HydrophobicContact CD2-CZ 3.61Å; F212-F264 AromaticContact CE2-CE1 3.98Å; F212-F264 HydrophobicContact CE2-CE1 3.98Å; F212-F264 HydrophobicContact CE2-CZ 4.42Å; F212-F264 HydrophobicContact CG-CE1 4.15Å; F212-F264 AromaticContact CG-CZ 3.97Å; F212-F264 HydrophobicContact CG-CZ 3.97Å; F212-A266 HydrophobicContact CE1-CB 4.36Å; F212-A266 HydrophobicContact CZ-CB 4.24Å; F212-I275 HydrophobicContact CE1-CG2 4.47Å; F212-I275 HydrophobicContact CZ-CG2 4.32Å; F212-V277 HydrophobicContact CE2-CG2 4.45Å; F212-V277 HydrophobicContact CZ-CG2 4.15Å; F212-F329 HydrophobicContact CD2-CB 3.94Å; F212-F329 AromaticContact CD2-CD1 3.93Å; F212-F329 HydrophobicContact CD2-CD1 3.93Å; F212-F329 HydrophobicContact CD2-CG 4.16Å; F212-F329 HydrophobicContact CE2-CB 4.14Å; F212-F329 AromaticContact CE2-CD1 3.87Å; F212-F329 HydrophobicContact CE2-CD1 3.87Å; F212-F329 AromaticContact CE2-CG 4Å; F212-F329 HydrophobicContact CE2-CG 4Å; F212-F329 PolarHBondContact O-N 3.48Å; F212-G330 VanDerWaalsContact CE1-C 3.44Å; F212-G330 VanDerWaalsContact CE2-CA 3.44Å; F212-G330 VanDerWaalsContact CZ-C 3.47Å; F212-G330 VanDerWaalsContact CZ-CA 3.48Å; F212-G330 PolarHBondContact N-O 3.33Å; F212-G330 PolarHBondContact O-N 3.12Å; F212-Y331 VanDerWaalsContact CE1-CA 3.5Å; F212-F332 AromaticContact CD1-CD2 3.54Å; F212-F332 HydrophobicContact CD1-CD2 3.54Å; F212-F332 AromaticContact CD1-CE2 3.28Å; F212-F332 HydrophobicContact CD1-CE2 3.28Å; F212-F332 HydrophobicContact CD1-CG 4.47Å; F212-F332 HydrophobicContact CD1-CZ 4.02Å; F212-F332 AromaticContact CE1-CD2 3.77Å; F212-F332 HydrophobicContact CE1-CD2 3.77Å; F212-F332 HydrophobicContact CE1-CE1 4.44Å; F212-F332 AromaticContact CE1-CE2 3.62Å; F212-F332 HydrophobicContact CE1-CE2 3.62Å; F212-F332 HydrophobicContact CE1-CG 4.29Å; F212-F332 AromaticContact CE1-CZ 3.98Å; F212-F332 HydrophobicContact CE1-CZ 3.98Å; F212-F332 HydrophobicContact CG-CE2 4.27Å; F212-V338 HydrophobicContact CB-CG2 4.33Å
213	H	97.7	Very high	94.1	Very high	26 Å²	26	18.1 Å²	18.1	12%	0.12	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.8	-170.8	-68.4	-118.9	0	0	0	110.3	P147 P215 G326 D327 E328 L361	P147-H213 WeakPolarHBondContact CB-O 3.39Å; P147-H213 PolarHBondContact O-N 2.85Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; H213-G326 PolarHBondContact ND1-O 2.87Å; H213-D327 CarbonylContact C-O 3.56Å; H213-D327 WeakPolarHBondContact CA-O 3.27Å; H213-D327 VanDerWaalsContact CB-O 3.26Å; H213-D327 WeakPolarHBondContact CB-O 3.49Å; H213-E328 WeakPolarHBondContact ND1-CA 3.3Å; H213-E328 PolarHBondContact ND1-N 2.85Å; H213-L361 HydrophobicContact CB-CD1 3.49Å; H213-L361 VanDerWaalsContact CB-CD1 3.49Å; H213-L361 VanDerWaalsContact CD2-CD2 3.49Å; H213-L361 WeakPolarHBondContact CD2-CD2 3.46Å; H213-L361 WeakPolarHBondContact NE2-CD2 3.28Å
214	S	98.1	Very high	94	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.			trans	-69.1	123.9	174.1	-168.4	0	0	0	0	110.7	V216 W218 K324 G326 D327	S214-V216 VanDerWaalsContact C-N 3.27Å; S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 PolarHBondContact OG-O 2.79Å; S214-W218 PolarHBondContact OG-NE1 3.07Å; S214-K324 VanDerWaalsContact CB-O 3.25Å; S214-K324 WeakPolarHBondContact CB-O 3.46Å; S214-G326 PolarHBondContact O-N 3.01Å; S214-D327 PolarHBondContact N-O 3.46Å
215	P	98.1	Very high	93.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-77.5	-14.8	-179.4	32.3	-35.5	0	0	0	113.2	L144 V145 P147 H213 F264 L340	L144-P215 HydrophobicContact CD2-CB 4.12Å; L144-P215 HydrophobicContact CG-CB 4.12Å; V145-P215 WeakPolarHBondContact CG2-O 3.48Å; V145-P215 PolarHBondContact N-O 2.95Å; V145-P215 WeakPolarHBondContact O-CB 3.42Å; P147-P215 HydrophobicContact CB-CB 4.2Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; P215-F264 HydrophobicContact CG-CD2 4.38Å; P215-L340 HydrophobicContact CB-CD1 4.18Å; P215-L340 HydrophobicContact CG-CD1 4.17Å; P215-L340 HydrophobicContact CG-CD2 4.15Å
216	V	97.9	Very high	93.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.09	C	C	.	.	S	Bend	trans	-147.2	174.1	-174.1	-59.3	0	0	0	0	110	L144 S214 W218 W257 M262 K324 K325	L144-V216 HydrophobicContact CB-CG1 4.08Å; L144-V216 HydrophobicContact CD1-CG1 4.1Å; L144-V216 HydrophobicContact CG-CG1 3.84Å; S214-V216 VanDerWaalsContact C-N 3.27Å; S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 PolarHBondContact OG-O 2.79Å; V216-W218 HydrophobicContact CG2-CB 3.84Å; V216-W218 HydrophobicContact CG2-CG 3.89Å; V216-W257 HydrophobicContact CB-CE3 3.83Å; V216-W257 HydrophobicContact CB-CZ3 4.4Å; V216-W257 HydrophobicContact CG1-CD2 4.33Å; V216-W257 HydrophobicContact CG1-CE3 3.49Å; V216-W257 VanDerWaalsContact CG1-CE3 3.49Å; V216-W257 HydrophobicContact CG1-CZ3 3.6Å; V216-W257 HydrophobicContact CG2-CB 3.89Å; V216-W257 HydrophobicContact CG2-CD2 4.46Å; V216-W257 HydrophobicContact CG2-CE3 4.19Å; V216-W257 HydrophobicContact CG2-CG 4.4Å; V216-M262 HydrophobicContact CB-CE 4.44Å; V216-M262 HydrophobicContact CG1-CE 3.88Å; V216-M262 HydrophobicContact CG2-CE 3.66Å; V216-M262 HydrophobicContact CG2-CG 4.27Å; V216-K324 CarbonylContact O-C 3.49Å; V216-K325 WeakPolarHBondContact O-CA 3.29Å; V216-K325 PolarHBondContact O-N 2.91Å
217	E	97.1	Very high	93.9	Very high	78 Å²	78	16.7 Å²	16.7	36%	0.364	8%	0.084	S	C	.	.	S	Bend	trans	-82	125.8	158.8	-177.6	162.2	130.7	0	0	108.8	W257 K322 L323	E217-W257 WeakPolarHBondContact O-CB 3.37Å; E217-K322 VanDerWaalsContact CD-CE 3.44Å; E217-K322 WeakPolarHBondContact OE1-CE 3.48Å; E217-K322 IonicContact OE1-NZ 3.57Å; E217-K322 PolarHBondContact OE1-NZ 3.16Å; E217-L323 VanDerWaalsContact CA-O 3.32Å; E217-L323 WeakPolarHBondContact CA-O 3.25Å
218	W	96	Very high	93.5	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.011	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	167.8	-178	71	-54.4	0	0	0	111.9	S214 V216 P220 E256 W257 M262 F264 L323 F329	S214-W218 PolarHBondContact OG-NE1 3.07Å; V216-W218 HydrophobicContact CG2-CB 3.84Å; V216-W218 HydrophobicContact CG2-CG 3.89Å; W218-P220 HydrophobicContact CD2-CG 4.07Å; W218-P220 HydrophobicContact CE3-CB 4.46Å; W218-P220 HydrophobicContact CE3-CG 4.05Å; W218-P220 HydrophobicContact CH2-CB 4.07Å; W218-P220 HydrophobicContact CH2-CG 3.76Å; W218-P220 HydrophobicContact CZ2-CG 3.74Å; W218-P220 HydrophobicContact CZ3-CB 4.02Å; W218-P220 HydrophobicContact CZ3-CG 3.91Å; W218-E256 VanDerWaalsContact CA-O 3.25Å; W218-E256 WeakPolarHBondContact CA-O 3.16Å; W218-E256 WeakPolarHBondContact CB-O 3.15Å; W218-W257 HydrophobicContact CB-CB 3.83Å; W218-M262 HydrophobicContact CD2-CB 4.27Å; W218-M262 HydrophobicContact CD2-CG 3.72Å; W218-M262 HydrophobicContact CE3-CB 3.74Å; W218-M262 HydrophobicContact CE3-CG 3.53Å; W218-M262 HydrophobicContact CG-CG 4.2Å; W218-M262 HydrophobicContact CH2-CG 4.43Å; W218-M262 HydrophobicContact CZ3-CB 4.26Å; W218-M262 HydrophobicContact CZ3-CG 3.91Å; W218-F264 HydrophobicContact CH2-CB 3.65Å; W218-F264 HydrophobicContact CZ2-CB 3.71Å; W218-L323 HydrophobicContact CZ2-CD1 4.37Å; W218-L323 PolarHBondContact N-O 3.13Å; W218-L323 VanDerWaalsContact N-O 3.09Å; W218-L323 PolarHBondContact O-N 2.91Å; W218-F329 AromaticContact CZ2-CE1 3.89Å; W218-F329 HydrophobicContact CZ2-CE1 3.89Å; W218-F329 HydrophobicContact CZ2-CZ 4.19Å
219	I	93.6	Very high	92.9	Very high	50 Å²	50	17.4 Å²	17.4	26%	0.256	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	104.8	178.7	-55	174	0	0	0	108.2	T221 G255 E256 D319 K322	I219-T221 HydrophobicContact CG2-CG2 4.4Å; I219-T221 PolarHBondContact O-N 2.94Å; I219-G255 WeakPolarHBondContact O-CA 3.45Å; I219-E256 PolarHBondContact N-O 2.99Å; I219-E256 VanDerWaalsContact N-O 3.07Å; I219-E256 PolarHBondContact O-N 2.93Å; I219-D319 HydrophobicContact CG2-CB 4.43Å; I219-K322 HydrophobicContact CG1-CB 4.23Å; I219-K322 HydrophobicContact CG1-CG 4.17Å
220	P	94.1	Very high	92.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	122	169.8	-15.6	30.8	0	0	0	110.3	W218 Y253 L254 I279 M321 L323	W218-P220 HydrophobicContact CD2-CG 4.07Å; W218-P220 HydrophobicContact CE3-CB 4.46Å; W218-P220 HydrophobicContact CE3-CG 4.05Å; W218-P220 HydrophobicContact CH2-CB 4.07Å; W218-P220 HydrophobicContact CH2-CG 3.76Å; W218-P220 HydrophobicContact CZ2-CG 3.74Å; W218-P220 HydrophobicContact CZ3-CB 4.02Å; W218-P220 HydrophobicContact CZ3-CG 3.91Å; P220-Y253 HydrophobicContact CB-CD1 4.11Å; P220-L254 CarbonylContact C-O 3.55Å; P220-L254 WeakPolarHBondContact CA-O 3.38Å; P220-I279 HydrophobicContact CG-CD1 4.32Å; P220-M321 WeakPolarHBondContact CD-O 3.28Å; P220-L323 HydrophobicContact CG-CD1 4.05Å
221	T	92.1	Very high	91.7	Very high	44 Å²	44	17.4 Å²	17.4	27%	0.27	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-24.1	-178.9	55.4	0	0	0	0	112.5	I219 L254 I316 F317	I219-T221 HydrophobicContact CG2-CG2 4.4Å; I219-T221 PolarHBondContact O-N 2.94Å; T221-L254 PolarHBondContact N-O 3.21Å; T221-L254 PolarHBondContact OG1-O 2.72Å; T221-I316 WeakPolarHBondContact O-CA 3.26Å; T221-F317 PolarHBondContact O-N 3.23Å
222	V	92.7	Very high	91.1	Very high	28 Å²	28	17.2 Å²	17.2	17%	0.17	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.5	-179.8	-177.4	0	0	0	0	110.1	R224 Y253 L254 E314 A315	V222-R224 HydrophobicContact CG1-CG 4.21Å; V222-Y253 CarbonylContact O-C 3.49Å; V222-Y253 WeakPolarHBondContact O-CA 3.15Å; V222-L254 HydrophobicContact CB-CB 4.3Å; V222-L254 PolarHBondContact N-O 3.42Å; V222-L254 PolarHBondContact O-N 3.26Å; V222-E314 HydrophobicContact CG1-CG 3.79Å; V222-A315 WeakPolarHBondContact CA-O 3.49Å
223	R	93.8	Very high	90.3	Very high	25 Å²	25	17.3 Å²	17.3	9%	0.094	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.7	163.3	174.8	-161.3	81.2	-162.1	-2.7	110.3	V251 V252 Y253 D280 T282 E314 A315 F317	R223-V251 HydrophobicContact CG-CG1 3.68Å; R223-V252 CarbonylContact C-O 3.57Å; R223-V252 WeakPolarHBondContact CA-O 3.36Å; R223-Y253 HydrophobicContact CB-CD1 4.02Å; R223-Y253 HydrophobicContact CB-CE1 3.75Å; R223-Y253 HydrophobicContact CG-CD1 4.45Å; R223-Y253 HydrophobicContact CG-CE1 3.94Å; R223-Y253 HydrophobicContact CG-CE2 4.27Å; R223-D280 WeakPolarHBondContact CD-OD2 3.25Å; R223-D280 IonicContact CZ-OD2 3.67Å; R223-D280 IonicContact NE-OD2 2.86Å; R223-D280 IonicContact NH1-OD1 2.79Å; R223-D280 PolarHBondContact NH1-OD1 3.43Å; R223-D280 IonicContact NH1-OD2 3.21Å; R223-D280 PolarHBondContact NH1-OD2 3.29Å; R223-T282 PolarHBondContact NH1-OG1 2.93Å; R223-E314 CarbonylContact O-C 3.56Å; R223-E314 VanDerWaalsContact O-CA 3.29Å; R223-E314 WeakPolarHBondContact O-CA 3.47Å; R223-A315 PolarHBondContact N-O 2.9Å; R223-A315 VanDerWaalsContact NH2-CB 3.3Å; R223-A315 PolarHBondContact O-N 3.41Å; R223-F317 HydrophobicContact CB-CE2 3.5Å; R223-F317 VanDerWaalsContact CB-CE2 3.5Å; R223-F317 HydrophobicContact CB-CZ 3.73Å
224	R	92.1	Very high	89.6	Confident	25 Å²	25	22.3 Å²	22.3	9%	0.094	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.7	165.3	-66.4	172.3	176	168.9	-1.8	109.9	L179 G180 P181 V222 F226 V252 Y312 E314	L179-R224 WeakPolarHBondContact O-CD 3.39Å; L179-R224 PolarHBondContact O-NH1 3.48Å; G180-R224 PolarHBondContact O-NH1 3.06Å; P181-R224 PolarHBondContact O-NH1 2.87Å; P181-R224 PolarHBondContact O-NH2 2.87Å; V222-R224 HydrophobicContact CG1-CG 4.21Å; R224-F226 HydrophobicContact CB-CD2 4.26Å; R224-F226 HydrophobicContact CB-CE2 3.47Å; R224-F226 VanDerWaalsContact CB-CE2 3.47Å; R224-F226 HydrophobicContact CB-CZ 3.99Å; R224-V252 PolarHBondContact N-O 2.93Å; R224-V252 PolarHBondContact O-N 2.77Å; R224-Y312 HydrophobicContact CB-CD2 4.07Å; R224-Y312 HydrophobicContact CB-CG 4.33Å; R224-Y312 HydrophobicContact CG-CD2 3.79Å; R224-Y312 HydrophobicContact CG-CE2 3.87Å; R224-Y312 HydrophobicContact CG-CG 4.43Å; R224-E314 HydrophobicContact CG-CG 4.16Å; R224-E314 IonicContact CZ-OE2 3.73Å; R224-E314 IonicContact NE-OE2 2.71Å; R224-E314 PolarHBondContact NE-OE2 2.85Å; R224-E314 IonicContact NH2-OE2 2.79Å
225	H	92	Very high	88.8	Confident	6 Å²	6	23.4 Å²	23.4	3%	0.028	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.5	172.5	169.2	-146.4	0	0	0	108.8	P227 E249 V251 L283 D290 Y312 L313	H225-P227 VanDerWaalsContact O-CD 3.22Å; H225-P227 WeakPolarHBondContact O-CD 3.47Å; H225-E249 IonicContact CD2-OE1 2.72Å; H225-E249 IonicContact CE1-OE1 3.58Å; H225-E249 IonicContact NE2-OE1 3.93Å; H225-E249 PolarHBondContact NE2-OE1 2.84Å; H225-V251 HydrophobicContact CB-CG2 4.42Å; H225-L283 HydrophobicContact CB-CD1 4.24Å; H225-D290 IonicContact CE1-OD2 3.42Å; H225-Y312 CarbonylContact O-C 3.54Å; H225-Y312 WeakPolarHBondContact O-CA 3.01Å; H225-Y312 WeakPolarHBondContact O-CB 3.21Å; H225-L313 HydrophobicContact CB-CB 4.36Å; H225-L313 PolarHBondContact N-O 2.95Å; H225-L313 PolarHBondContact O-N 3.48Å
226	F	89.7	Confident	87.7	Confident	4 Å²	4	29 Å²	29	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	98.7	176.3	-61.1	-102.5	0	0	0	107.9	R224 G228 E249 R250 V252 P311 Y312	R224-F226 HydrophobicContact CB-CD2 4.26Å; R224-F226 HydrophobicContact CB-CE2 3.47Å; R224-F226 VanDerWaalsContact CB-CE2 3.47Å; R224-F226 HydrophobicContact CB-CZ 3.99Å; F226-G228 PolarHBondContact O-N 2.86Å; F226-E249 VanDerWaalsContact O-CA 3.28Å; F226-E249 WeakPolarHBondContact O-CA 3.12Å; F226-R250 HydrophobicContact CB-CG 3.8Å; F226-R250 HydrophobicContact CD2-CG 3.94Å; F226-R250 HydrophobicContact CG-CG 4.16Å; F226-R250 PolarHBondContact N-O 3.45Å; F226-R250 PolarHBondContact O-N 2.88Å; F226-V252 HydrophobicContact CD2-CG2 4.12Å; F226-V252 HydrophobicContact CE2-CB 4.31Å; F226-V252 HydrophobicContact CE2-CG2 3.83Å; F226-P311 WeakPolarHBondContact CD1-O 3.29Å; F226-Y312 HydrophobicContact CD1-CD1 4.15Å; F226-Y312 HydrophobicContact CD1-CG 4.35Å; F226-Y312 AromaticContact CE1-CD1 3.39Å; F226-Y312 HydrophobicContact CE1-CD1 3.39Å; F226-Y312 HydrophobicContact CE1-CE1 4.31Å; F226-Y312 AromaticContact CE1-CG 3.87Å; F226-Y312 HydrophobicContact CE1-CG 3.87Å; F226-Y312 AromaticContact CZ-CD1 3.7Å; F226-Y312 HydrophobicContact CZ-CD1 3.7Å; F226-Y312 HydrophobicContact CZ-CE1 4.43Å; F226-Y312 AromaticContact CZ-CG 3.96Å; F226-Y312 HydrophobicContact CZ-CG 3.96Å
227	P	86.7	Confident	86.6	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.026	16%	0.156	C	C	.	.			trans	-58.5	135.8	167.8	-24.4	34.2	0	0	0	110.1	H225 D290 L293 R294	H225-P227 VanDerWaalsContact O-CD 3.22Å; H225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-D290 HydrophobicContact CB-CB 3.72Å; P227-D290 HydrophobicContact CG-CB 3.72Å; P227-L293 HydrophobicContact CB-CB 3.79Å; P227-L293 HydrophobicContact CG-CB 3.88Å; P227-L293 HydrophobicContact CG-CD1 3.82Å; P227-R294 HydrophobicContact CB-CG 4.01Å
228	G	82.1	Confident	85.6	Confident	4 Å²	4	27.9 Å²	27.9	4%	0.041	14%	0.139	C	C	.	.			trans	-156.5	-166.1	-177	0	0	0	0	0	112.2	F226 I247 R294	F226-G228 PolarHBondContact O-N 2.86Å; G228-I247 CarbonylContact C-O 3.56Å; G228-I247 WeakPolarHBondContact CA-O 3.49Å; G228-R294 WeakPolarHBondContact O-CD 3.44Å; G228-R294 VanDerWaalsContact O-CG 3.29Å; G228-R294 WeakPolarHBondContact O-CG 3.37Å; G228-R294 PolarHBondContact O-NE 2.81Å
229	R	79.6	Confident	84.8	Confident	30 Å²	30	28.9 Å²	28.9	11%	0.113	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-77.4	175.5	172.6	-58.8	-169.5	178.4	177.3	11.9	110.7	E54 R70 L231 I247 N248 E249	E54-R229 IonicContact OE1-CZ 3.46Å; E54-R229 IonicContact OE1-NH1 2.63Å; E54-R229 PolarHBondContact OE1-NH1 2.62Å; E54-R229 IonicContact OE1-NH2 3.62Å; E54-R229 PolarHBondContact OE1-NH2 3.15Å; R70-R229 PolarHBondContact O-NH1 2.94Å; R229-L231 HydrophobicContact CB-CD2 4.29Å; R229-L231 HydrophobicContact CB-CG 4.06Å; R229-I247 HydrophobicContact CB-CG2 4.04Å; R229-I247 HydrophobicContact CG-CG2 4.07Å; R229-I247 PolarHBondContact N-O 2.91Å; R229-N248 CarbonylContact O-C 3.55Å; R229-N248 WeakPolarHBondContact O-CA 3.39Å; R229-N248 PolarHBondContact O-OD1 2.89Å; R229-E249 PolarHBondContact O-N 3.1Å
230	L	80	Confident	83.9	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.167	C	C	.	.			trans	-124.2	62.9	174.6	-67.3	174	0	0	0	109.1	N75 S78 E249 F270 V272	N75-L230 PolarHBondContact OD1-N 2.66Å; S78-L230 WeakPolarHBondContact OG-CD1 3.15Å; L230-E249 HydrophobicContact CD2-CB 4.03Å; L230-F270 WeakPolarHBondContact O-CA 3.38Å; L230-F270 WeakPolarHBondContact O-CB 3.32Å; L230-F270 PolarHBondContact O-N 3.29Å; L230-V272 WeakPolarHBondContact CD1-O 3.29Å; L230-V272 HydrophobicContact CD2-CB 4.27Å
231	L	80.5	Confident	82.9	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.169	C	C	.	.			trans	-75	154.5	176.8	-54.2	-178.9	0	0	0	109.9	L74 R229 V233 L241 L244 I247 N248 A269 F270	L74-L231 HydrophobicContact CB-CD2 4.45Å; L74-L231 HydrophobicContact CD1-CD2 3.29Å; L74-L231 HydrophobicContact CG-CD2 4.47Å; R229-L231 HydrophobicContact CB-CD2 4.29Å; R229-L231 HydrophobicContact CB-CG 4.06Å; L231-V233 PolarHBondContact O-N 3.22Å; L231-L241 HydrophobicContact CD1-CD1 4.4Å; L231-L244 HydrophobicContact CB-CD1 3.43Å; L231-L244 VanDerWaalsContact CB-CD1 3.43Å; L231-L244 HydrophobicContact CD1-CD1 3.72Å; L231-L244 HydrophobicContact CG-CD1 4.17Å; L231-I247 HydrophobicContact CD1-CG2 3.77Å; L231-I247 HydrophobicContact CG-CG2 4.46Å; L231-N248 WeakPolarHBondContact CA-OD1 3.46Å; L231-N248 VanDerWaalsContact CB-OD1 3.23Å; L231-N248 WeakPolarHBondContact CB-OD1 3.42Å; L231-N248 WeakPolarHBondContact CG-OD1 3.32Å; L231-N248 PolarHBondContact N-OD1 3.27Å; L231-N248 PolarHBondContact O-ND2 3.09Å; L231-A269 WeakPolarHBondContact O-CA 3.45Å; L231-F270 PolarHBondContact O-N 3.26Å
232	S	82	Confident	82	Confident	26 Å²	26	33 Å²	33	18%	0.182	16%	0.159	C	C	.	.			trans	-70.2	125.9	178.9	163.1	0	0	0	0	111.3	R234 I237 L244	S232-R234 VanDerWaalsContact C-N 3.34Å; S232-R234 WeakPolarHBondContact OG-CG 3.36Å; S232-R234 PolarHBondContact OG-N 3.15Å; S232-I237 VanDerWaalsContact O-CG2 3.22Å; S232-I237 WeakPolarHBondContact O-CG2 2.98Å; S232-I237 WeakPolarHBondContact OG-CD1 3.29Å; S232-L244 WeakPolarHBondContact O-CD2 3.25Å
233	V	81.4	Confident	81.1	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.018	15%	0.151	C	C	.	.			trans	-88.6	5.7	177.8	-60.5	0	0	0	0	114.6	Y203 L231 L244 Y245 N248 A269 T337	Y203-V233 HydrophobicContact CD2-CG2 3.83Å; Y203-V233 HydrophobicContact CE2-CG2 3.82Å; L231-V233 PolarHBondContact O-N 3.22Å; V233-L244 HydrophobicContact CG1-CD2 4.35Å; V233-Y245 HydrophobicContact CB-CE1 4.27Å; V233-Y245 HydrophobicContact CG1-CD1 4.34Å; V233-Y245 HydrophobicContact CG1-CE1 4.09Å; V233-N248 WeakPolarHBondContact CG1-ND2 3.42Å; V233-A269 HydrophobicContact CB-CB 4.17Å; V233-A269 HydrophobicContact CG1-CB 3.77Å; V233-A269 HydrophobicContact CG2-CB 3.5Å; V233-T337 WeakPolarHBondContact CB-OG1 3.09Å; V233-T337 VanDerWaalsContact CG2-OG1 3.28Å; V233-T337 WeakPolarHBondContact CG2-OG1 3.44Å
234	R	82.7	Confident	80.6	Confident	131 Å²	131	30.5 Å²	30.5	49%	0.494	15%	0.147	S	C	.	.			trans	-49.2	138.6	176.2	-73.4	-178.8	178	-175.3	1.3	111	S232 N236 I237 A238	S232-R234 VanDerWaalsContact C-N 3.34Å; S232-R234 WeakPolarHBondContact OG-CG 3.36Å; S232-R234 PolarHBondContact OG-N 3.15Å; R234-N236 PolarHBondContact O-N 3.28Å; R234-I237 HydrophobicContact CB-CD1 4.48Å; R234-I237 WeakPolarHBondContact O-CA 3.37Å; R234-I237 PolarHBondContact O-N 3.37Å; R234-A238 PolarHBondContact O-N 2.9Å
235	P	80.5	Confident	80.3	Confident	23 Å²	23	29.3 Å²	29.3	15%	0.149	14%	0.142	C	C	.	.	H	α-helix	trans	-51.4	-38.1	-174.3	-31.7	36.6	0	0	0	114.7	L153 I168 Y203 I237 G239	L153-P235 HydrophobicContact CD2-CB 4.23Å; L153-P235 HydrophobicContact CD2-CG 3.7Å; I168-P235 HydrophobicContact CD1-CB 3.79Å; Y203-P235 HydrophobicContact CD1-CG 3.89Å; Y203-P235 HydrophobicContact CE1-CG 4.24Å; Y203-P235 HydrophobicContact CG-CG 4.37Å; P235-I237 VanDerWaalsContact C-N 3.31Å; P235-I237 PolarHBondContact O-N 3.41Å; P235-G239 PolarHBondContact O-N 3.36Å
236	N	76	Confident	79.9	Confident	118 Å²	118	29.4 Å²	29.4	63%	0.631	14%	0.143	S	C	*	.	H	α-helix	trans	-67.1	-30	178	-71.4	-16.6	0	0	0	113.8	R234 R240	R234-N236 PolarHBondContact O-N 3.28Å; N236-R240 WeakPolarHBondContact O-CD 3.17Å; N236-R240 WeakPolarHBondContact O-CG 3.24Å
237	I	75.2	Confident	79.5	Confident	55 Å²	55	30.8 Å²	30.8	28%	0.282	15%	0.151	S	C	.	.	H	α-helix	trans	-87.7	-43.5	178.3	-66.7	169.3	0	0	0	109.5	S232 R234 P235 G239 R240 L241	S232-I237 VanDerWaalsContact O-CG2 3.22Å; S232-I237 WeakPolarHBondContact O-CG2 2.98Å; S232-I237 WeakPolarHBondContact OG-CD1 3.29Å; R234-I237 HydrophobicContact CB-CD1 4.48Å; R234-I237 WeakPolarHBondContact O-CA 3.37Å; R234-I237 PolarHBondContact O-N 3.37Å; P235-I237 VanDerWaalsContact C-N 3.31Å; P235-I237 PolarHBondContact O-N 3.41Å; I237-G239 PolarHBondContact O-N 2.9Å; I237-R240 PolarHBondContact O-N 3.28Å; I237-L241 HydrophobicContact CG2-CD1 3.48Å; I237-L241 VanDerWaalsContact CG2-CD1 3.48Å; I237-L241 HydrophobicContact CG2-CG 4.09Å; I237-L241 PolarHBondContact O-N 3.15Å
238	A	76	Confident	79.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.7	-38	171.3	0	0	0	0	0	111.5	Q167 I168 I171 R234 R240 L244	Q167-A238 HydrophobicContact CG-CB 4.34Å; Q167-A238 PolarHBondContact NE2-O 2.84Å; I168-A238 HydrophobicContact CG2-CB 3.93Å; I171-A238 WeakPolarHBondContact CD1-O 3.34Å; R234-A238 PolarHBondContact O-N 2.9Å; A238-R240 PolarHBondContact O-N 2.99Å; A238-L244 HydrophobicContact CB-CD2 3.81Å
239	G	78.5	Confident	79.9	Confident	24 Å²	24	30.6 Å²	30.6	25%	0.247	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	1.2	173.8	0	0	0	0	0	115.8	I171 P235 I237	I171-G239 WeakPolarHBondContact CD1-O 2.81Å; P235-G239 PolarHBondContact O-N 3.36Å; I237-G239 PolarHBondContact O-N 2.9Å
240	R	73.8	Confident	80.5	Confident	163 Å²	163	29.5 Å²	29.5	62%	0.615	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-11.3	-177.1	-65.4	178.6	-178.7	178.5	0.3	114.1	N236 I237 A238 P242	N236-R240 WeakPolarHBondContact O-CD 3.17Å; N236-R240 WeakPolarHBondContact O-CG 3.24Å; I237-R240 PolarHBondContact O-N 3.28Å; A238-R240 PolarHBondContact O-N 2.99Å; R240-P242 WeakPolarHBondContact O-CD 3.18Å
241	L	74.1	Confident	81.2	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.031	14%	0.143	C	C	.	.			trans	-117.6	90.5	-179.3	-64.1	-177.9	0	0	0	108.6	A66 C69 Q167 L231 I237 G243 L244	A66-L241 VanDerWaalsContact CA-CD2 3.44Å; A66-L241 HydrophobicContact CB-CD2 3.6Å; C69-L241 HydrophobicContact CB-CD1 4.13Å; C69-L241 HydrophobicContact CB-CD2 4.17Å; Q167-L241 PolarHBondContact NE2-O 3.43Å; L231-L241 HydrophobicContact CD1-CD1 4.4Å; I237-L241 HydrophobicContact CG2-CD1 3.48Å; I237-L241 VanDerWaalsContact CG2-CD1 3.48Å; I237-L241 HydrophobicContact CG2-CG 4.09Å; I237-L241 PolarHBondContact O-N 3.15Å; L241-G243 PolarHBondContact O-N 3.03Å; L241-L244 HydrophobicContact CB-CB 4.19Å; L241-L244 HydrophobicContact CB-CD1 4.28Å; L241-L244 HydrophobicContact CD1-CD1 3.9Å; L241-L244 WeakPolarHBondContact O-CB 3.25Å; L241-L244 PolarHBondContact O-N 2.91Å
242	P	72.6	Confident	81.9	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.071	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	137.5	173.9	-22.3	38.1	0	0	0	109.3	Y60 P61 I171 R240 L244	Y60-P242 HydrophobicContact CD1-CB 3.51Å; Y60-P242 WeakPolarHBondContact CD1-O 3.24Å; Y60-P242 HydrophobicContact CE1-CB 3.74Å; Y60-P242 WeakPolarHBondContact CE1-O 3.27Å; P61-P242 HydrophobicContact CG-CG 3.73Å; I171-P242 HydrophobicContact CD1-CG 4.02Å; I171-P242 HydrophobicContact CG1-CG 4.2Å; I171-P242 VanDerWaalsContact CG2-CA 3.43Å; I171-P242 HydrophobicContact CG2-CB 3.6Å; I171-P242 HydrophobicContact CG2-CG 3.88Å; R240-P242 WeakPolarHBondContact O-CD 3.18Å; P242-L244 VanDerWaalsContact C-N 3.29Å; P242-L244 PolarHBondContact O-N 3.44Å
243	G	74.6	Confident	82.5	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	14.1	178.4	0	0	0	0	0	113.1	Y60 L241 Y245 T246 I247	Y60-G243 VanDerWaalsContact OH-CA 3.24Å; Y60-G243 WeakPolarHBondContact OH-CA 3.18Å; L241-G243 PolarHBondContact O-N 3.03Å; G243-Y245 PolarHBondContact O-N 3Å; G243-Y245 VanDerWaalsContact O-N 3.17Å; G243-T246 PolarHBondContact O-N 3.19Å; G243-T246 PolarHBondContact O-OG1 2.89Å; G243-I247 VanDerWaalsContact O-CG1 3.3Å; G243-I247 WeakPolarHBondContact O-CG1 3.5Å; G243-I247 PolarHBondContact O-N 2.84Å
244	L	83	Confident	83.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-52.1	-42.6	-178.8	-179.2	60.5	0	0	0	112	L231 S232 V233 A238 L241 P242 I247 N248	L231-L244 HydrophobicContact CB-CD1 3.43Å; L231-L244 VanDerWaalsContact CB-CD1 3.43Å; L231-L244 HydrophobicContact CD1-CD1 3.72Å; L231-L244 HydrophobicContact CG-CD1 4.17Å; S232-L244 WeakPolarHBondContact O-CD2 3.25Å; V233-L244 HydrophobicContact CG1-CD2 4.35Å; A238-L244 HydrophobicContact CB-CD2 3.81Å; L241-L244 HydrophobicContact CB-CB 4.19Å; L241-L244 HydrophobicContact CB-CD1 4.28Å; L241-L244 HydrophobicContact CD1-CD1 3.9Å; L241-L244 WeakPolarHBondContact O-CB 3.25Å; L241-L244 PolarHBondContact O-N 2.91Å; P242-L244 VanDerWaalsContact C-N 3.29Å; P242-L244 PolarHBondContact O-N 3.44Å; L244-I247 PolarHBondContact O-N 3.05Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.14Å
245	Y	85.7	Confident	83.6	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.1	-26.8	-179.1	-56.1	-32.6	0	0	0	113.3	L153 Q167 Y173 V201 V233 G243 R250 V267 T337 V339	L153-Y245 WeakPolarHBondContact CD1-OH 2.91Å; Q167-Y245 HydrophobicContact CB-CD2 4.34Å; Q167-Y245 HydrophobicContact CB-CE2 4.01Å; Q167-Y245 HydrophobicContact CG-CD2 3.96Å; Q167-Y245 HydrophobicContact CG-CE2 3.45Å; Q167-Y245 VanDerWaalsContact CG-CE2 3.45Å; Y173-Y245 AromaticContact CE1-CD2 3.84Å; Y173-Y245 HydrophobicContact CE1-CD2 3.84Å; Y173-Y245 HydrophobicContact CE1-CE2 4.45Å; Y173-Y245 AromaticContact CZ-CD2 3.77Å; V201-Y245 HydrophobicContact CG1-CE2 3.71Å; V201-Y245 WeakPolarHBondContact CG1-OH 3.23Å; V233-Y245 HydrophobicContact CB-CE1 4.27Å; V233-Y245 HydrophobicContact CG1-CD1 4.34Å; V233-Y245 HydrophobicContact CG1-CE1 4.09Å; G243-Y245 PolarHBondContact O-N 3Å; G243-Y245 VanDerWaalsContact O-N 3.17Å; Y245-R250 PolarHBondContact O-NH1 2.69Å; Y245-V267 HydrophobicContact CD1-CG1 4.1Å; Y245-T337 HydrophobicContact CE1-CG2 4.03Å; Y245-V339 HydrophobicContact CD2-CG2 4.29Å; Y245-V339 HydrophobicContact CE2-CG2 4.44Å
246	T	84.4	Confident	84.2	Confident	8 Å²	8	28 Å²	28	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-80.5	-27.5	175.3	65.7	0	0	0	0	112.2	Y173 E177 F178 G243 R250	Y173-T246 HydrophobicContact CD2-CG2 3.66Å; Y173-T246 HydrophobicContact CG-CG2 4.25Å; E177-T246 HydrophobicContact CB-CG2 4.23Å; E177-T246 HydrophobicContact CG-CG2 3.92Å; E177-T246 WeakPolarHBondContact OE1-CB 3.27Å; E177-T246 PolarHBondContact OE1-OG1 3.14Å; F178-T246 HydrophobicContact CB-CG2 4.13Å; F178-T246 HydrophobicContact CD2-CG2 4.24Å; G243-T246 PolarHBondContact O-N 3.19Å; G243-T246 PolarHBondContact O-OG1 2.89Å; T246-R250 VanDerWaalsContact C-NH1 3.33Å; T246-R250 PolarHBondContact O-NH1 3.15Å
247	I	81.3	Confident	85.1	Confident	34 Å²	34	23.1 Å²	23.1	17%	0.174	11%	0.112	C	C	.	.	H	α-helix	trans	-76.4	-35.6	174.5	-64.9	164.2	0	0	0	111.6	G228 R229 L231 G243 L244	G228-I247 CarbonylContact C-O 3.56Å; G228-I247 WeakPolarHBondContact CA-O 3.49Å; R229-I247 HydrophobicContact CB-CG2 4.04Å; R229-I247 HydrophobicContact CG-CG2 4.07Å; R229-I247 PolarHBondContact N-O 2.91Å; L231-I247 HydrophobicContact CD1-CG2 3.77Å; L231-I247 HydrophobicContact CG-CG2 4.46Å; G243-I247 VanDerWaalsContact O-CG1 3.3Å; G243-I247 WeakPolarHBondContact O-CG1 3.5Å; G243-I247 PolarHBondContact O-N 2.84Å; L244-I247 PolarHBondContact O-N 3.05Å
248	N	86.4	Confident	85.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-73.3	149.6	-177.7	-86.3	8.4	0	0	0	112.8	R229 L231 V233 L244 R250 V267 G268	R229-N248 CarbonylContact O-C 3.55Å; R229-N248 WeakPolarHBondContact O-CA 3.39Å; R229-N248 PolarHBondContact O-OD1 2.89Å; L231-N248 WeakPolarHBondContact CA-OD1 3.46Å; L231-N248 VanDerWaalsContact CB-OD1 3.23Å; L231-N248 WeakPolarHBondContact CB-OD1 3.42Å; L231-N248 WeakPolarHBondContact CG-OD1 3.32Å; L231-N248 PolarHBondContact N-OD1 3.27Å; L231-N248 PolarHBondContact O-ND2 3.09Å; V233-N248 WeakPolarHBondContact CG1-ND2 3.42Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.14Å; N248-R250 PolarHBondContact O-N 3.29Å; N248-R250 PolarHBondContact O-NH1 2.99Å; N248-V267 HydrophobicContact CB-CG1 3.83Å; N248-G268 PolarHBondContact ND2-O 2.68Å
249	E	89.3	Confident	86.6	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.019	14%	0.14	C	C	.	.			trans	-58.4	125.3	168.1	-177.3	161.2	-170.4	0	0	109.1	H225 F226 R229 L230 G268 T285 N286 R294	H225-E249 IonicContact CD2-OE1 2.72Å; H225-E249 IonicContact CE1-OE1 3.58Å; H225-E249 IonicContact NE2-OE1 3.93Å; H225-E249 PolarHBondContact NE2-OE1 2.84Å; F226-E249 VanDerWaalsContact O-CA 3.28Å; F226-E249 WeakPolarHBondContact O-CA 3.12Å; R229-E249 PolarHBondContact O-N 3.1Å; L230-E249 HydrophobicContact CD2-CB 4.03Å; E249-G268 WeakPolarHBondContact O-CA 3.25Å; E249-G268 PolarHBondContact O-N 2.88Å; E249-T285 WeakPolarHBondContact OE1-CB 3.2Å; E249-N286 PolarHBondContact OE1-N 2.85Å; E249-R294 IonicContact OE1-NH2 3.78Å; E249-R294 IonicContact OE2-CZ 2.85Å; E249-R294 IonicContact OE2-NE 2.99Å; E249-R294 PolarHBondContact OE2-NE 3.18Å; E249-R294 IonicContact OE2-NH2 3.1Å; E249-R294 PolarHBondContact OE2-NH2 3.25Å; E249-R294 VanDerWaalsContact OE2-NH2 3.15Å
250	R	92.5	Very high	87.2	Confident	7 Å²	7	27.9 Å²	27.9	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.9	-178.3	65.4	-179.8	175.9	-69.9	3.3	111	E177 F178 F226 Y245 T246 N248 V252 A266 V267	E177-R250 PolarHBondContact O-NH2 2.97Å; F178-R250 PolarHBondContact O-NE 2.86Å; F178-R250 PolarHBondContact O-NH2 2.86Å; F226-R250 HydrophobicContact CB-CG 3.8Å; F226-R250 HydrophobicContact CD2-CG 3.94Å; F226-R250 HydrophobicContact CG-CG 4.16Å; F226-R250 PolarHBondContact N-O 3.45Å; F226-R250 PolarHBondContact O-N 2.88Å; Y245-R250 PolarHBondContact O-NH1 2.69Å; T246-R250 VanDerWaalsContact C-NH1 3.33Å; T246-R250 PolarHBondContact O-NH1 3.15Å; N248-R250 PolarHBondContact O-N 3.29Å; N248-R250 PolarHBondContact O-NH1 2.99Å; R250-V252 HydrophobicContact CG-CG2 4.43Å; R250-A266 CarbonylContact C-O 3.47Å; R250-A266 VanDerWaalsContact CA-O 3.23Å; R250-A266 WeakPolarHBondContact CA-O 3.28Å; R250-V267 HydrophobicContact CB-CB 4.34Å; R250-V267 HydrophobicContact CB-CG1 4.37Å; R250-V267 HydrophobicContact CB-CG2 4Å
251	V	94.6	Very high	88.1	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.5	172.9	-170.7	0	0	0	0	107.9	R223 H225 Y253 A265 A266 I275 L283 T285	R223-V251 HydrophobicContact CG-CG1 3.68Å; H225-V251 HydrophobicContact CB-CG2 4.42Å; V251-Y253 HydrophobicContact CB-CE2 4.38Å; V251-Y253 HydrophobicContact CG1-CD2 4.11Å; V251-Y253 HydrophobicContact CG1-CE2 3.44Å; V251-Y253 VanDerWaalsContact CG1-CE2 3.44Å; V251-A265 CarbonylContact O-C 3.38Å; V251-A265 WeakPolarHBondContact O-CA 3.45Å; V251-A266 PolarHBondContact N-O 2.82Å; V251-A266 PolarHBondContact O-N 3.42Å; V251-I275 HydrophobicContact CG2-CD1 4.02Å; V251-I275 HydrophobicContact CG2-CG2 4.44Å; V251-L283 HydrophobicContact CB-CD2 4.38Å; V251-L283 HydrophobicContact CG1-CD1 4.05Å; V251-L283 HydrophobicContact CG1-CD2 3.96Å; V251-L283 HydrophobicContact CG2-CD1 3.84Å; V251-L283 HydrophobicContact CG2-CD2 3.98Å; V251-T285 HydrophobicContact CG2-CG2 3.74Å
252	V	95.3	Very high	89.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.4	-178.4	-177.3	0	0	0	0	108.1	L179 R223 R224 F226 R250 L254 A265	L179-V252 HydrophobicContact CD2-CG1 3.64Å; R223-V252 CarbonylContact C-O 3.57Å; R223-V252 WeakPolarHBondContact CA-O 3.36Å; R224-V252 PolarHBondContact N-O 2.93Å; R224-V252 PolarHBondContact O-N 2.77Å; F226-V252 HydrophobicContact CD2-CG2 4.12Å; F226-V252 HydrophobicContact CE2-CB 4.31Å; F226-V252 HydrophobicContact CE2-CG2 3.83Å; R250-V252 HydrophobicContact CG-CG2 4.43Å; V252-L254 HydrophobicContact CG1-CD2 3.88Å; V252-L254 HydrophobicContact CG1-CG 4.14Å; V252-A265 HydrophobicContact CG2-CB 3.91Å
253	Y	95.6	Very high	90.2	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	169.4	-72.5	-95.8	0	0	0	108.6	P220 V222 R223 V251 S263 F264 V277 D280 F317 F329	P220-Y253 HydrophobicContact CB-CD1 4.11Å; V222-Y253 CarbonylContact O-C 3.49Å; V222-Y253 WeakPolarHBondContact O-CA 3.15Å; R223-Y253 HydrophobicContact CB-CD1 4.02Å; R223-Y253 HydrophobicContact CB-CE1 3.75Å; R223-Y253 HydrophobicContact CG-CD1 4.45Å; R223-Y253 HydrophobicContact CG-CE1 3.94Å; R223-Y253 HydrophobicContact CG-CE2 4.27Å; V251-Y253 HydrophobicContact CB-CE2 4.38Å; V251-Y253 HydrophobicContact CG1-CD2 4.11Å; V251-Y253 HydrophobicContact CG1-CE2 3.44Å; V251-Y253 VanDerWaalsContact CG1-CE2 3.44Å; Y253-S263 CarbonylContact O-C 3.59Å; Y253-S263 VanDerWaalsContact O-CA 3.26Å; Y253-S263 WeakPolarHBondContact O-CA 3.48Å; Y253-F264 PolarHBondContact N-O 2.64Å; Y253-F264 PolarHBondContact O-N 3.49Å; Y253-V277 HydrophobicContact CE1-CG1 4.4Å; Y253-V277 HydrophobicContact CE2-CB 4.46Å; Y253-V277 HydrophobicContact CE2-CG1 4.22Å; Y253-V277 HydrophobicContact CE2-CG2 3.76Å; Y253-D280 HydrophobicContact CE1-CB 4.25Å; Y253-D280 WeakPolarHBondContact OH-CB 3.38Å; Y253-D280 PolarHBondContact OH-OD2 3.19Å; Y253-F317 HydrophobicContact CD1-CE2 4.11Å; Y253-F317 AromaticContact CE1-CE2 3.83Å; Y253-F317 HydrophobicContact CE1-CE2 3.83Å; Y253-F317 HydrophobicContact CE1-CZ 4.15Å; Y253-F329 HydrophobicContact CD1-CZ 4.03Å; Y253-F329 HydrophobicContact CD2-CE1 4.26Å; Y253-F329 AromaticContact CD2-CZ 3.68Å; Y253-F329 HydrophobicContact CD2-CZ 3.68Å; Y253-F329 HydrophobicContact CE1-CZ 4.43Å; Y253-F329 HydrophobicContact CE2-CZ 4.12Å; Y253-F329 HydrophobicContact CG-CE1 4.42Å; Y253-F329 AromaticContact CG-CZ 3.65Å; Y253-F329 HydrophobicContact CG-CZ 3.65Å
254	L	94	Very high	91.3	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.052	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.3	178.1	-57	168.7	0	0	0	108.4	L179 M182 P220 T221 V222 V252	L179-L254 HydrophobicContact CD1-CD2 4.47Å; L179-L254 HydrophobicContact CD2-CD2 4.47Å; M182-L254 HydrophobicContact CE-CD1 4.15Å; M182-L254 HydrophobicContact CE-CD2 4.14Å; M182-L254 HydrophobicContact SD-CD1 3.54Å; M182-L254 VanDerWaalsContact SD-CD1 3.54Å; M182-L254 HydrophobicContact SD-CD2 4.07Å; M182-L254 HydrophobicContact SD-CG 4.45Å; P220-L254 CarbonylContact C-O 3.55Å; P220-L254 WeakPolarHBondContact CA-O 3.38Å; T221-L254 PolarHBondContact N-O 3.21Å; T221-L254 PolarHBondContact OG1-O 2.72Å; V222-L254 HydrophobicContact CB-CB 4.3Å; V222-L254 PolarHBondContact N-O 3.42Å; V222-L254 PolarHBondContact O-N 3.26Å; V252-L254 HydrophobicContact CG1-CD2 3.88Å; V252-L254 HydrophobicContact CG1-CG 4.14Å
255	G	93.5	Very high	91.9	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-163.7	-178.7	0	0	0	0	0	111.7	I219 M262	I219-G255 WeakPolarHBondContact O-CA 3.45Å; G255-M262 PolarHBondContact N-O 3.42Å; G255-M262 PolarHBondContact O-N 3.18Å
256	E	92	Very high	92.4	Very high	143 Å²	143	20.2 Å²	20.2	67%	0.668	10%	0.103	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.3	178.5	-62.9	-166.9	165.3	0	0	112	W218 I219 G260	W218-E256 VanDerWaalsContact CA-O 3.25Å; W218-E256 WeakPolarHBondContact CA-O 3.16Å; W218-E256 WeakPolarHBondContact CB-O 3.15Å; I219-E256 PolarHBondContact N-O 2.99Å; I219-E256 VanDerWaalsContact N-O 3.07Å; I219-E256 PolarHBondContact O-N 2.93Å; E256-G260 CarbonylContact C-O 3.58Å; E256-G260 VanDerWaalsContact CA-O 3.27Å; E256-G260 WeakPolarHBondContact CA-O 3.23Å
257	W	94.6	Very high	92.8	Very high	16 Å²	16	19.9 Å²	19.9	6%	0.061	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	179.2	167.7	78.6	-58	0	0	0	109.3	L144 V216 E217 W218 H259 G260 L261 M262 F342 E343 M349	L144-W257 HydrophobicContact CD1-CH2 4.49Å; V216-W257 HydrophobicContact CB-CE3 3.83Å; V216-W257 HydrophobicContact CB-CZ3 4.4Å; V216-W257 HydrophobicContact CG1-CD2 4.33Å; V216-W257 HydrophobicContact CG1-CE3 3.49Å; V216-W257 VanDerWaalsContact CG1-CE3 3.49Å; V216-W257 HydrophobicContact CG1-CZ3 3.6Å; V216-W257 HydrophobicContact CG2-CB 3.89Å; V216-W257 HydrophobicContact CG2-CD2 4.46Å; V216-W257 HydrophobicContact CG2-CE3 4.19Å; V216-W257 HydrophobicContact CG2-CG 4.4Å; E217-W257 WeakPolarHBondContact O-CB 3.37Å; W218-W257 HydrophobicContact CB-CB 3.83Å; W257-H259 HydrophobicContact CD2-CB 4.36Å; W257-H259 AromaticContact CE3-CD2 3.86Å; W257-H259 HydrophobicContact CH2-CB 4.42Å; W257-H259 AromaticContact CH2-CD2 3.42Å; W257-H259 VanDerWaalsContact CH2-CD2 3.42Å; W257-H259 WeakPolarHBondContact CH2-CD2 3.29Å; W257-H259 HydrophobicContact CZ2-CB 3.77Å; W257-H259 AromaticContact CZ2-CD2 3.68Å; W257-H259 AromaticContact CZ3-CD2 3.51Å; W257-H259 PolarHBondContact O-N 2.77Å; W257-G260 PolarHBondContact N-O 2.66Å; W257-G260 PolarHBondContact O-N 3.05Å; W257-L261 PolarHBondContact NE1-O 3.37Å; W257-M262 HydrophobicContact CB-CB 4.09Å; W257-M262 HydrophobicContact CD2-CE 3.88Å; W257-M262 HydrophobicContact CE3-CE 4.35Å; W257-M262 HydrophobicContact CG-CB 4.08Å; W257-M262 HydrophobicContact CG-CE 4Å; W257-M262 HydrophobicContact CZ2-CE 4.44Å; W257-F342 HydrophobicContact CH2-CD2 4.44Å; W257-F342 HydrophobicContact CZ2-CB 4.38Å; W257-F342 AromaticContact CZ2-CD2 3.76Å; W257-F342 HydrophobicContact CZ2-CD2 3.76Å; W257-F342 HydrophobicContact CZ2-CG 4.38Å; W257-E343 VanDerWaalsContact CE2-O 3.29Å; W257-E343 WeakPolarHBondContact CZ2-O 3.29Å; W257-E343 PolarHBondContact NE1-O 2.97Å; W257-M349 HydrophobicContact CH2-CE 4.01Å
258	D	92	Very high	93.2	Very high	130 Å²	130	18.3 Å²	18.3	70%	0.695	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	-33.3	-174.7	-67.8	-17.9	0	0	0	114.5
259	H	91.3	Very high	93	Very high	41 Å²	41	18.5 Å²	18.5	19%	0.19	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.7	-177	-55.9	-73.3	0	0	0	115.2	R195 W257 E343 P345 M349	R195-H259 WeakPolarHBondContact CD-O 3.42Å; R195-H259 PolarHBondContact NE-O 2.88Å; R195-H259 PolarHBondContact NH1-O 3.11Å; W257-H259 HydrophobicContact CD2-CB 4.36Å; W257-H259 AromaticContact CE3-CD2 3.86Å; W257-H259 HydrophobicContact CH2-CB 4.42Å; W257-H259 AromaticContact CH2-CD2 3.42Å; W257-H259 VanDerWaalsContact CH2-CD2 3.42Å; W257-H259 WeakPolarHBondContact CH2-CD2 3.29Å; W257-H259 HydrophobicContact CZ2-CB 3.77Å; W257-H259 AromaticContact CZ2-CD2 3.68Å; W257-H259 AromaticContact CZ3-CD2 3.51Å; W257-H259 PolarHBondContact O-N 2.77Å; H259-E343 WeakPolarHBondContact CB-O 3.37Å; H259-P345 WeakPolarHBondContact ND1-CG 3.26Å; H259-M349 WeakPolarHBondContact CD2-CE 3.3Å; H259-M349 WeakPolarHBondContact NE2-CE 3.29Å
260	G	91.4	Very high	92.1	Very high	7 Å²	7	21.1 Å²	21.1	7%	0.072	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.5	-130.9	175.7	0	0	0	0	0	113	E256 W257 M262 E343	E256-G260 CarbonylContact C-O 3.58Å; E256-G260 VanDerWaalsContact CA-O 3.27Å; E256-G260 WeakPolarHBondContact CA-O 3.23Å; W257-G260 PolarHBondContact N-O 2.66Å; W257-G260 PolarHBondContact O-N 3.05Å; G260-M262 PolarHBondContact O-N 3Å; G260-E343 WeakPolarHBondContact CA-OE2 3.45Å
261	L	91.9	Very high	90.8	Very high	19 Å²	19	21 Å²	21	10%	0.099	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.8	-179.6	178.1	68.2	0	0	0	111.4	M182 L188 L197 W257 F342 E343	M182-L261 HydrophobicContact CE-CD1 3.8Å; M182-L261 HydrophobicContact CE-CD2 3.9Å; L188-L261 HydrophobicContact CD1-CD2 4.34Å; L197-L261 HydrophobicContact CD1-CD2 4.1Å; W257-L261 PolarHBondContact NE1-O 3.37Å; L261-F342 CarbonylContact O-C 3.58Å; L261-F342 VanDerWaalsContact O-CA 3.23Å; L261-F342 WeakPolarHBondContact O-CA 3.33Å; L261-E343 HydrophobicContact CB-CG 3.97Å; L261-E343 PolarHBondContact N-OE2 3.13Å; L261-E343 PolarHBondContact O-N 3.02Å
262	M	94.8	Very high	89.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.5	163.7	177.3	56.6	69.8	0	0	109.2	L144 V216 W218 G255 W257 G260 F342	L144-M262 HydrophobicContact CD1-CE 3.94Å; V216-M262 HydrophobicContact CB-CE 4.44Å; V216-M262 HydrophobicContact CG1-CE 3.88Å; V216-M262 HydrophobicContact CG2-CE 3.66Å; V216-M262 HydrophobicContact CG2-CG 4.27Å; W218-M262 HydrophobicContact CD2-CB 4.27Å; W218-M262 HydrophobicContact CD2-CG 3.72Å; W218-M262 HydrophobicContact CE3-CB 3.74Å; W218-M262 HydrophobicContact CE3-CG 3.53Å; W218-M262 HydrophobicContact CG-CG 4.2Å; W218-M262 HydrophobicContact CH2-CG 4.43Å; W218-M262 HydrophobicContact CZ3-CB 4.26Å; W218-M262 HydrophobicContact CZ3-CG 3.91Å; G255-M262 PolarHBondContact N-O 3.42Å; G255-M262 PolarHBondContact O-N 3.18Å; W257-M262 HydrophobicContact CB-CB 4.09Å; W257-M262 HydrophobicContact CD2-CE 3.88Å; W257-M262 HydrophobicContact CE3-CE 4.35Å; W257-M262 HydrophobicContact CG-CB 4.08Å; W257-M262 HydrophobicContact CG-CE 4Å; W257-M262 HydrophobicContact CZ2-CE 4.44Å; G260-M262 PolarHBondContact O-N 3Å; M262-F342 HydrophobicContact CE-CB 3.6Å; M262-F342 HydrophobicContact CE-CD1 4.46Å; M262-F342 HydrophobicContact CE-CG 4.1Å; M262-F342 HydrophobicContact SD-CB 3.88Å
263	S	95.7	Very high	87.6	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.6	172.9	171.3	0	0	0	0	109.6	L179 Y253 L340 V341	L179-S263 WeakPolarHBondContact CD2-OG 3.19Å; Y253-S263 CarbonylContact O-C 3.59Å; Y253-S263 VanDerWaalsContact O-CA 3.26Å; Y253-S263 WeakPolarHBondContact O-CA 3.48Å; S263-L340 WeakPolarHBondContact O-CA 3.12Å; S263-V341 WeakPolarHBondContact CA-O 3.36Å; S263-V341 VanDerWaalsContact CB-O 3.29Å; S263-V341 WeakPolarHBondContact CB-O 3.3Å; S263-V341 PolarHBondContact N-O 2.9Å; S263-V341 PolarHBondContact O-N 3.5Å
264	F	97.2	Very high	87	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.4	171.8	-168.7	-72.7	0	0	0	109.5	P147 F212 P215 W218 Y253 A266 F329 V338 L340	P147-F264 HydrophobicContact CB-CE2 3.65Å; P147-F264 HydrophobicContact CB-CZ 4.25Å; P147-F264 HydrophobicContact CG-CE2 4.06Å; F212-F264 HydrophobicContact CB-CZ 3.92Å; F212-F264 AromaticContact CD2-CE1 3.61Å; F212-F264 HydrophobicContact CD2-CE1 3.61Å; F212-F264 AromaticContact CD2-CZ 3.61Å; F212-F264 HydrophobicContact CD2-CZ 3.61Å; F212-F264 AromaticContact CE2-CE1 3.98Å; F212-F264 HydrophobicContact CE2-CE1 3.98Å; F212-F264 HydrophobicContact CE2-CZ 4.42Å; F212-F264 HydrophobicContact CG-CE1 4.15Å; F212-F264 AromaticContact CG-CZ 3.97Å; F212-F264 HydrophobicContact CG-CZ 3.97Å; P215-F264 HydrophobicContact CG-CD2 4.38Å; W218-F264 HydrophobicContact CH2-CB 3.65Å; W218-F264 HydrophobicContact CZ2-CB 3.71Å; Y253-F264 PolarHBondContact N-O 2.64Å; Y253-F264 PolarHBondContact O-N 3.49Å; F264-A266 HydrophobicContact CE1-CB 4.47Å; F264-F329 HydrophobicContact CB-CE1 4.01Å; F264-F329 AromaticContact CD1-CD1 3.96Å; F264-F329 HydrophobicContact CD1-CD1 3.96Å; F264-F329 AromaticContact CD1-CE1 3.65Å; F264-F329 HydrophobicContact CD1-CE1 3.65Å; F264-F329 HydrophobicContact CD2-CD1 4.23Å; F264-F329 HydrophobicContact CD2-CE1 4.3Å; F264-F329 HydrophobicContact CE1-CD1 4.11Å; F264-F329 HydrophobicContact CE1-CE1 4.23Å; F264-F329 HydrophobicContact CE2-CD1 4.34Å; F264-F329 HydrophobicContact CG-CD1 4.05Å; F264-F329 AromaticContact CG-CE1 3.72Å; F264-F329 HydrophobicContact CG-CE1 3.72Å; F264-F329 HydrophobicContact CZ-CD1 4.31Å; F264-V338 HydrophobicContact CD2-CG1 4.49Å; F264-V338 HydrophobicContact CE1-CG1 4Å; F264-V338 HydrophobicContact CE1-CG2 4.14Å; F264-V338 HydrophobicContact CE2-CG1 3.81Å; F264-V338 HydrophobicContact CZ-CB 4.35Å; F264-V338 HydrophobicContact CZ-CG1 3.5Å; F264-V338 HydrophobicContact CZ-CG2 3.83Å; F264-L340 HydrophobicContact CB-CD2 4.46Å; F264-L340 HydrophobicContact CD2-CD2 3.43Å; F264-L340 VanDerWaalsContact CD2-CD2 3.43Å; F264-L340 HydrophobicContact CE2-CD2 3.82Å; F264-L340 HydrophobicContact CG-CD2 4.12Å
265	A	96.4	Very high	86.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121	177.2	0	0	0	0	0	111.5	F178 V251 V252 V338 V339	F178-A265 HydrophobicContact CE1-CB 3.59Å; F178-A265 HydrophobicContact CZ-CB 3.47Å; F178-A265 VanDerWaalsContact CZ-CB 3.47Å; V251-A265 CarbonylContact O-C 3.38Å; V251-A265 WeakPolarHBondContact O-CA 3.45Å; V252-A265 HydrophobicContact CG2-CB 3.91Å; A265-V338 WeakPolarHBondContact O-CA 3.05Å; A265-V339 HydrophobicContact CB-CB 4.19Å; A265-V339 WeakPolarHBondContact CB-O 3.32Å; A265-V339 PolarHBondContact N-O 2.78Å; A265-V339 PolarHBondContact O-N 3.09Å
266	A	95.7	Very high	86.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.7	170	0	0	0	0	0	109.1	F212 R250 V251 F264 I275 F332	F212-A266 HydrophobicContact CE1-CB 4.36Å; F212-A266 HydrophobicContact CZ-CB 4.24Å; R250-A266 CarbonylContact C-O 3.47Å; R250-A266 VanDerWaalsContact CA-O 3.23Å; R250-A266 WeakPolarHBondContact CA-O 3.28Å; V251-A266 PolarHBondContact N-O 2.82Å; V251-A266 PolarHBondContact O-N 3.42Å; F264-A266 HydrophobicContact CE1-CB 4.47Å; A266-I275 HydrophobicContact CB-CD1 4.46Å; A266-I275 HydrophobicContact CB-CG2 3.76Å; A266-I275 WeakPolarHBondContact O-CD1 2.99Å; A266-F332 HydrophobicContact CB-CE1 3.65Å; A266-F332 HydrophobicContact CB-CZ 3.52Å
267	V	93.3	Very high	87	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.6	-178.5	-173.5	0	0	0	0	109.5	F178 Y245 N248 R250 T337 V339	F178-V267 HydrophobicContact CE2-CG2 3.99Å; F178-V267 HydrophobicContact CZ-CG2 3.98Å; Y245-V267 HydrophobicContact CD1-CG1 4.1Å; N248-V267 HydrophobicContact CB-CG1 3.83Å; R250-V267 HydrophobicContact CB-CB 4.34Å; R250-V267 HydrophobicContact CB-CG1 4.37Å; R250-V267 HydrophobicContact CB-CG2 4Å; V267-T337 PolarHBondContact N-O 2.93Å; V267-T337 PolarHBondContact O-N 2.95Å; V267-T337 VanDerWaalsContact O-N 3.14Å; V267-V339 HydrophobicContact CG2-CG2 4.2Å
268	G	89.5	Confident	87	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	157.7	174.8	0	0	0	0	0	111.7	N248 E249	N248-G268 PolarHBondContact ND2-O 2.68Å; E249-G268 WeakPolarHBondContact O-CA 3.25Å; E249-G268 PolarHBondContact O-N 2.88Å
269	A	81.7	Confident	86.9	Confident	4 Å²	4	18.3 Å²	18.3	3%	0.033	10%	0.098	C	C	.	.			trans	-137.9	-177.4	177.1	0	0	0	0	0	111.7	L231 V233 G271 V272 G335	L231-A269 WeakPolarHBondContact O-CA 3.45Å; V233-A269 HydrophobicContact CB-CB 4.17Å; V233-A269 HydrophobicContact CG1-CB 3.77Å; V233-A269 HydrophobicContact CG2-CB 3.5Å; A269-G271 PolarHBondContact O-N 3.4Å; A269-V272 HydrophobicContact CB-CG2 4.43Å; A269-V272 VanDerWaalsContact O-CB 3.24Å; A269-V272 WeakPolarHBondContact O-CB 3.43Å; A269-V272 WeakPolarHBondContact O-CG2 3.33Å; A269-V272 PolarHBondContact O-N 3.45Å; A269-G335 VanDerWaalsContact CB-O 3.25Å; A269-G335 WeakPolarHBondContact CB-O 3.49Å; A269-G335 PolarHBondContact N-O 3.14Å
270	F	71.3	Confident	87	Confident	60 Å²	60	16.4 Å²	16.4	26%	0.263	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	127.1	176	-174.9	-95.1	0	0	0	112.3	L74 L77 W81 L230 L231	L74-F270 HydrophobicContact CB-CD2 4.19Å; L74-F270 HydrophobicContact CB-CE2 4.28Å; L74-F270 HydrophobicContact CD2-CD2 3.91Å; L74-F270 HydrophobicContact CD2-CE2 3.67Å; L77-F270 HydrophobicContact CB-CE2 4.02Å; L77-F270 HydrophobicContact CB-CZ 4.16Å; L77-F270 HydrophobicContact CD2-CE2 3.97Å; L77-F270 HydrophobicContact CD2-CZ 3.6Å; L77-F270 HydrophobicContact CG-CE2 4.05Å; L77-F270 HydrophobicContact CG-CZ 3.68Å; W81-F270 AromaticContact CD1-CE1 3.57Å; W81-F270 AromaticContact CD1-CZ 3.5Å; W81-F270 VanDerWaalsContact CD1-CZ 3.5Å; W81-F270 HydrophobicContact CG-CE1 4.38Å; W81-F270 AromaticContact NE1-CZ 3.98Å; L230-F270 WeakPolarHBondContact O-CA 3.38Å; L230-F270 WeakPolarHBondContact O-CB 3.32Å; L230-F270 PolarHBondContact O-N 3.29Å; L231-F270 PolarHBondContact O-N 3.26Å
271	G	65.2	Low	86.9	Confident	5 Å²	5	21 Å²	21	5%	0.052	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-19.5	-175.1	0	0	0	0	0	113.5	S78 A269 G273 L334	S78-G271 WeakPolarHBondContact OG-CA 3.37Å; S78-G271 PolarHBondContact OG-N 2.59Å; A269-G271 PolarHBondContact O-N 3.4Å; G271-G273 PolarHBondContact O-N 3.13Å; G271-L334 VanDerWaalsContact O-CB 3.29Å; G271-L334 WeakPolarHBondContact O-CB 3.27Å; G271-L334 WeakPolarHBondContact O-CD1 3.37Å
272	V	60.6	Low	86.9	Confident	5 Å²	5	24.5 Å²	24.5	3%	0.03	14%	0.14	C	C	.	.			trans	-58.2	112.7	-178.6	178.8	0	0	0	0	110.8	L230 A269 I275 R333 L334 G335	L230-V272 WeakPolarHBondContact CD1-O 3.29Å; L230-V272 HydrophobicContact CD2-CB 4.27Å; A269-V272 HydrophobicContact CB-CG2 4.43Å; A269-V272 VanDerWaalsContact O-CB 3.24Å; A269-V272 WeakPolarHBondContact O-CB 3.43Å; A269-V272 WeakPolarHBondContact O-CG2 3.33Å; A269-V272 PolarHBondContact O-N 3.45Å; V272-I275 HydrophobicContact CG1-CG1 4.39Å; V272-R333 CarbonylContact C-O 3.45Å; V272-R333 WeakPolarHBondContact CA-O 3.33Å; V272-L334 VanDerWaalsContact CG2-O 3.24Å; V272-L334 WeakPolarHBondContact CG2-O 3.2Å; V272-G335 WeakPolarHBondContact CG2-O 3.01Å
273	G	61.2	Low	86.8	Confident	15 Å²	15	24.9 Å²	24.9	16%	0.155	14%	0.143	C	C	.	.			trans	-72.1	-43.9	172.3	0	0	0	0	0	111.1	G271 N286 R333	G271-G273 PolarHBondContact O-N 3.13Å; G273-N286 WeakPolarHBondContact O-CB 3.15Å; G273-N286 PolarHBondContact O-ND2 3.45Å; G273-R333 PolarHBondContact N-O 3.36Å
274	N	83	Confident	86.4	Confident	44 Å²	44	29 Å²	29	24%	0.235	16%	0.164	C	C	.	.			trans	-163.5	145.3	-174.2	-151.8	-55.7	0	0	0	111.9	T285 R333	N274-T285 WeakPolarHBondContact CA-OG1 3.45Å; N274-T285 VanDerWaalsContact CG-OG1 3.25Å; N274-T285 PolarHBondContact OD1-OG1 3.46Å; N274-R333 PolarHBondContact O-N 2.83Å
275	I	92.2	Very high	86	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.6	161.5	-55.7	166.9	0	0	0	107.3	F212 V251 A266 V272 T285 F332	F212-I275 HydrophobicContact CE1-CG2 4.47Å; F212-I275 HydrophobicContact CZ-CG2 4.32Å; V251-I275 HydrophobicContact CG2-CD1 4.02Å; V251-I275 HydrophobicContact CG2-CG2 4.44Å; A266-I275 HydrophobicContact CB-CD1 4.46Å; A266-I275 HydrophobicContact CB-CG2 3.76Å; A266-I275 WeakPolarHBondContact O-CD1 2.99Å; V272-I275 HydrophobicContact CG1-CG1 4.39Å; I275-T285 HydrophobicContact CB-CG2 3.95Å; I275-T285 HydrophobicContact CD1-CG2 4.5Å; I275-T285 PolarHBondContact N-OG1 2.79Å; I275-F332 HydrophobicContact CD1-CE1 4.28Å; I275-F332 HydrophobicContact CG1-CD1 3.83Å; I275-F332 HydrophobicContact CG1-CE1 3.97Å; I275-F332 HydrophobicContact CG2-CD1 4.46Å; I275-F332 HydrophobicContact CG2-CE1 4.34Å
276	H	93.7	Very high	85.2	Confident	61 Å²	61	30.8 Å²	30.8	28%	0.282	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.6	177.1	-173.8	79.9	0	0	0	110.5	N278 G330 Y331	H276-N278 PolarHBondContact CD2-OD1 2.83Å; H276-G330 CarbonylContact O-C 3.54Å; H276-G330 WeakPolarHBondContact O-CA 3.36Å; H276-Y331 HydrophobicContact CB-CD1 4.28Å; H276-Y331 HydrophobicContact CB-CD2 3.99Å; H276-Y331 HydrophobicContact CB-CE1 3.87Å; H276-Y331 HydrophobicContact CB-CE2 3.53Å; H276-Y331 HydrophobicContact CB-CG 4.33Å; H276-Y331 VanDerWaalsContact CB-CZ 3.45Å; H276-Y331 AromaticContact CD2-CD1 3.96Å; H276-Y331 AromaticContact CD2-CE1 3.16Å; H276-Y331 WeakPolarHBondContact CD2-CE1 3.32Å; H276-Y331 AromaticContact CD2-CZ 3.4Å; H276-Y331 PolarHBondContact CD2-OH 3.24Å; H276-Y331 AromaticContact CG-CE1 3.7Å; H276-Y331 AromaticContact CG-CZ 3.46Å; H276-Y331 VanDerWaalsContact CG-CZ 3.46Å; H276-Y331 PolarHBondContact N-O 3.19Å; H276-Y331 PolarHBondContact O-N 2.71Å
277	V	94.7	Very high	84.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.8	177.8	176.4	0	0	0	0	108.2	F212 Y253 I279 D280 L283 F329	F212-V277 HydrophobicContact CE2-CG2 4.45Å; F212-V277 HydrophobicContact CZ-CG2 4.15Å; Y253-V277 HydrophobicContact CE1-CG1 4.4Å; Y253-V277 HydrophobicContact CE2-CB 4.46Å; Y253-V277 HydrophobicContact CE2-CG1 4.22Å; Y253-V277 HydrophobicContact CE2-CG2 3.76Å; V277-I279 VanDerWaalsContact C-N 3.32Å; V277-I279 HydrophobicContact CG1-CG1 3.89Å; V277-I279 PolarHBondContact O-N 3.46Å; V277-D280 HydrophobicContact CB-CB 4.24Å; V277-D280 HydrophobicContact CG1-CB 3.96Å; V277-D280 CarbonylContact O-C 3.6Å; V277-D280 PolarHBondContact O-N 3.16Å; V277-D280 VanDerWaalsContact O-N 3.15Å; V277-L283 HydrophobicContact CB-CD2 4.11Å; V277-L283 HydrophobicContact CG2-CD2 3.66Å; V277-F329 HydrophobicContact CG1-CD2 3.76Å; V277-F329 HydrophobicContact CG1-CE2 3.38Å; V277-F329 HydrophobicContact CG1-CZ 4.18Å
278	N	93.3	Very high	83.6	Confident	63 Å²	63	40.8 Å²	40.8	34%	0.337	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-39.7	-168.7	-68.3	-17.3	0	0	0	112.2	H276 D280 E328 F329	H276-N278 PolarHBondContact CD2-OD1 2.83Å; N278-D280 VanDerWaalsContact C-N 3.3Å; N278-E328 PolarHBondContact ND2-O 3.45Å; N278-E328 PolarHBondContact ND2-OE1 3.4Å; N278-F329 PolarHBondContact N-O 2.78Å
279	I	90.6	Very high	82.9	Confident	55 Å²	55	48.1 Å²	48.1	28%	0.282	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7	-178.5	62	168.4	0	0	0	113.3	P220 V277 M321 L323 F329	P220-I279 HydrophobicContact CG-CD1 4.32Å; V277-I279 VanDerWaalsContact C-N 3.32Å; V277-I279 HydrophobicContact CG1-CG1 3.89Å; V277-I279 PolarHBondContact O-N 3.46Å; I279-M321 HydrophobicContact CB-CE 3.87Å; I279-M321 HydrophobicContact CD1-CB 4.19Å; I279-M321 HydrophobicContact CD1-CE 3.3Å; I279-M321 HydrophobicContact CG1-CE 3.38Å; I279-M321 WeakPolarHBondContact O-CE 3.49Å; I279-L323 HydrophobicContact CD1-CD1 3.81Å; I279-L323 HydrophobicContact CD1-CD2 4.09Å; I279-L323 HydrophobicContact CD1-CG 3.92Å; I279-L323 HydrophobicContact CG2-CD2 4.11Å; I279-F329 HydrophobicContact CD1-CD2 3.96Å; I279-F329 HydrophobicContact CD1-CE2 3.55Å; I279-F329 HydrophobicContact CG1-CD2 3.96Å; I279-F329 HydrophobicContact CG1-CE2 3.69Å
280	D	92.9	Very high	82.6	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.011	25%	0.253	C	S	.	.			trans	-128.6	75.9	179.7	-179.8	11.7	0	0	0	110.7	R223 Y253 V277 N278 T282 L283 F317 M321	R223-D280 WeakPolarHBondContact CD-OD2 3.25Å; R223-D280 IonicContact CZ-OD2 3.67Å; R223-D280 IonicContact NE-OD2 2.86Å; R223-D280 IonicContact NH1-OD1 2.79Å; R223-D280 PolarHBondContact NH1-OD1 3.43Å; R223-D280 IonicContact NH1-OD2 3.21Å; R223-D280 PolarHBondContact NH1-OD2 3.29Å; Y253-D280 HydrophobicContact CE1-CB 4.25Å; Y253-D280 WeakPolarHBondContact OH-CB 3.38Å; Y253-D280 PolarHBondContact OH-OD2 3.19Å; V277-D280 HydrophobicContact CB-CB 4.24Å; V277-D280 HydrophobicContact CG1-CB 3.96Å; V277-D280 CarbonylContact O-C 3.6Å; V277-D280 PolarHBondContact O-N 3.16Å; V277-D280 VanDerWaalsContact O-N 3.15Å; N278-D280 VanDerWaalsContact C-N 3.3Å; D280-T282 PolarHBondContact O-N 3.32Å; D280-T282 VanDerWaalsContact O-N 3.09Å; D280-T282 PolarHBondContact OD1-N 3.27Å; D280-T282 PolarHBondContact OD1-OG1 2.81Å; D280-L283 WeakPolarHBondContact O-CB 3.03Å; D280-L283 PolarHBondContact O-N 3.34Å; D280-L283 VanDerWaalsContact O-N 3.16Å; D280-L283 PolarHBondContact OD1-N 3.38Å; D280-L283 WeakPolarHBondContact OD2-CB 3.47Å; D280-F317 HydrophobicContact CB-CZ 4.34Å; D280-M321 HydrophobicContact CB-CE 4.2Å
281	P	89.2	Confident	82.5	Confident	104 Å²	104	48.3 Å²	48.3	68%	0.675	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.8	178.9	28	-35.8	0	0	0	113.2	L283	P281-L283 VanDerWaalsContact C-N 3.34Å
282	T	91.9	Very high	82.3	Confident	91 Å²	91	51.7 Å²	51.7	56%	0.558	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.3	178.1	77.5	0	0	0	0	112.5	R223 D280 I284	R223-T282 PolarHBondContact NH1-OG1 2.93Å; D280-T282 PolarHBondContact O-N 3.32Å; D280-T282 VanDerWaalsContact O-N 3.09Å; D280-T282 PolarHBondContact OD1-N 3.27Å; D280-T282 PolarHBondContact OD1-OG1 2.81Å; T282-I284 PolarHBondContact O-N 2.99Å
283	L	92.8	Very high	82.5	Confident	9 Å²	9	52.2 Å²	52.2	5%	0.047	28%	0.284	C	S	.	.			trans	-69.4	119.8	175.7	175.5	68.1	0	0	0	110	H225 V251 V277 D280 P281 T285	H225-L283 HydrophobicContact CB-CD1 4.24Å; V251-L283 HydrophobicContact CB-CD2 4.38Å; V251-L283 HydrophobicContact CG1-CD1 4.05Å; V251-L283 HydrophobicContact CG1-CD2 3.96Å; V251-L283 HydrophobicContact CG2-CD1 3.84Å; V251-L283 HydrophobicContact CG2-CD2 3.98Å; V277-L283 HydrophobicContact CB-CD2 4.11Å; V277-L283 HydrophobicContact CG2-CD2 3.66Å; D280-L283 WeakPolarHBondContact O-CB 3.03Å; D280-L283 PolarHBondContact O-N 3.34Å; D280-L283 VanDerWaalsContact O-N 3.16Å; D280-L283 PolarHBondContact OD1-N 3.38Å; D280-L283 WeakPolarHBondContact OD2-CB 3.47Å; P281-L283 VanDerWaalsContact C-N 3.34Å; L283-T285 HydrophobicContact CD1-CG2 3.78Å; L283-T285 HydrophobicContact CD2-CG2 4.3Å; L283-T285 HydrophobicContact CG-CG2 4.02Å
284	I	88.3	Confident	82.6	Confident	87 Å²	87	52 Å²	52	45%	0.446	28%	0.279	S	S	.	.			trans	-129.9	112.2	170.7	-60.3	167.6	0	0	0	106.7	T282 K287	T282-I284 PolarHBondContact O-N 2.99Å; I284-K287 HydrophobicContact CB-CG 4.45Å; I284-K287 HydrophobicContact CG2-CD 4.2Å; I284-K287 HydrophobicContact CG2-CG 3.74Å; I284-K287 WeakPolarHBondContact O-CE 3.41Å
285	T	87.8	Confident	81.4	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.037	29%	0.289	C	S	.	.			trans	-94	172.5	177.6	62.8	0	0	0	0	111.8	E249 V251 N274 I275 L283 K287	E249-T285 WeakPolarHBondContact OE1-CB 3.2Å; V251-T285 HydrophobicContact CG2-CG2 3.74Å; N274-T285 WeakPolarHBondContact CA-OG1 3.45Å; N274-T285 VanDerWaalsContact CG-OG1 3.25Å; N274-T285 PolarHBondContact OD1-OG1 3.46Å; I275-T285 HydrophobicContact CB-CG2 3.95Å; I275-T285 HydrophobicContact CD1-CG2 4.5Å; I275-T285 PolarHBondContact N-OG1 2.79Å; L283-T285 HydrophobicContact CD1-CG2 3.78Å; L283-T285 HydrophobicContact CD2-CG2 4.3Å; L283-T285 HydrophobicContact CG-CG2 4.02Å; T285-K287 PolarHBondContact O-N 2.84Å; T285-K287 VanDerWaalsContact O-N 3.14Å
286	N	80.6	Confident	79.9	Confident	31 Å²	31	56.6 Å²	56.6	17%	0.166	30%	0.295	C	S	.	.	S	Bend	trans	61.1	19.3	178.4	-154.6	5.6	0	0	0	115	K79 E249 G273	K79-N286 WeakPolarHBondContact CE-OD1 3.3Å; E249-N286 PolarHBondContact OE1-N 2.85Å; G273-N286 WeakPolarHBondContact O-CB 3.15Å; G273-N286 PolarHBondContact O-ND2 3.45Å
287	K	80.5	Confident	77.7	Confident	64 Å²	64	62.1 Å²	62.1	28%	0.278	32%	0.315	S	S	.	.			trans	-63.6	144.7	178.7	-62.4	-174.6	-177.1	179.7	0	111.8	I284 T285 E289 D290 R294	I284-K287 HydrophobicContact CB-CG 4.45Å; I284-K287 HydrophobicContact CG2-CD 4.2Å; I284-K287 HydrophobicContact CG2-CG 3.74Å; I284-K287 WeakPolarHBondContact O-CE 3.41Å; T285-K287 PolarHBondContact O-N 2.84Å; T285-K287 VanDerWaalsContact O-N 3.14Å; K287-E289 VanDerWaalsContact C-N 3.33Å; K287-D290 WeakPolarHBondContact CB-OD2 3.46Å; K287-R294 VanDerWaalsContact O-CZ 3.24Å; K287-R294 PolarHBondContact O-NH1 2.81Å; K287-R294 PolarHBondContact O-NH2 3.17Å
288	K	75.4	Confident	75.7	Confident	146 Å²	146	64.3 Å²	64.3	64%	0.635	33%	0.331	S	S	*	.	S	Bend	trans	-68.7	-34.2	174.5	-71.7	-177.7	-178.9	176.1	0	112.1	D290 N291	K288-D290 PolarHBondContact O-N 3.03Å; K288-N291 VanDerWaalsContact O-CB 3.28Å; K288-N291 WeakPolarHBondContact O-CB 3.45Å; K288-N291 PolarHBondContact O-N 2.85Å; K288-N291 VanDerWaalsContact O-N 3.1Å; K288-N291 PolarHBondContact O-ND2 2.83Å; K288-N291 VanDerWaalsContact O-ND2 3.15Å
289	E	74.1	Confident	73.9	Confident	155 Å²	155	63.7 Å²	63.7	72%	0.724	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.7	178.3	-66.6	119.5	-129.9	0	0	112.2	K287 N291	K287-E289 VanDerWaalsContact C-N 3.33Å; E289-N291 PolarHBondContact O-N 3.31Å; E289-N291 VanDerWaalsContact O-N 3.1Å
290	D	74.8	Confident	72.2	Confident	14 Å²	14	66.3 Å²	66.3	8%	0.075	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	1.8	-179.3	-57.6	-25.4	0	0	0	113.7	H225 P227 K287 K288 A292 L293 R294	H225-D290 IonicContact CE1-OD2 3.42Å; P227-D290 HydrophobicContact CB-CB 3.72Å; P227-D290 HydrophobicContact CG-CB 3.72Å; K287-D290 WeakPolarHBondContact CB-OD2 3.46Å; K288-D290 PolarHBondContact O-N 3.03Å; D290-A292 PolarHBondContact O-N 3.46Å; D290-L293 CarbonylContact O-C 3.6Å; D290-L293 WeakPolarHBondContact O-CA 3.27Å; D290-L293 VanDerWaalsContact O-CB 3.29Å; D290-L293 WeakPolarHBondContact O-CB 3.43Å; D290-L293 PolarHBondContact O-N 3.46Å; D290-R294 WeakPolarHBondContact O-CG 3.26Å; D290-R294 PolarHBondContact O-N 3.22Å
291	N	69.2	Low	70.4	Confident	55 Å²	55	71.4 Å²	71.4	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-57.6	-34.3	-179.7	-77.8	-19	0	0	0	112.8	K288 E289 L293 R294 F295	K288-N291 VanDerWaalsContact O-CB 3.28Å; K288-N291 WeakPolarHBondContact O-CB 3.45Å; K288-N291 PolarHBondContact O-N 2.85Å; K288-N291 VanDerWaalsContact O-N 3.1Å; K288-N291 PolarHBondContact O-ND2 2.83Å; K288-N291 VanDerWaalsContact O-ND2 3.15Å; E289-N291 PolarHBondContact O-N 3.31Å; E289-N291 VanDerWaalsContact O-N 3.1Å; N291-L293 PolarHBondContact O-N 3.29Å; N291-R294 WeakPolarHBondContact O-CB 3.39Å; N291-R294 PolarHBondContact O-N 3.44Å; N291-R294 PolarHBondContact OD1-NH1 2.84Å; N291-F295 HydrophobicContact CB-CD2 4.46Å; N291-F295 HydrophobicContact CB-CE2 4.37Å; N291-F295 VanDerWaalsContact O-CD2 3.25Å; N291-F295 WeakPolarHBondContact O-CD2 3.48Å; N291-F295 PolarHBondContact O-N 3.11Å
292	A	61.2	Low	68.6	Low	75 Å²	75	67.7 Å²	67.7	62%	0.62	34%	0.344	S	S	*	.	H	α-helix	trans	-61.4	-35.8	174.5	0	0	0	0	0	111.7	D290	D290-A292 PolarHBondContact O-N 3.46Å
293	L	65.2	Low	66.4	Low	17 Å²	17	68 Å²	68	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-76.2	-24.7	172.5	-62.4	179.5	0	0	0	112	P227 D290 N291 R296 I302 I304 L313	P227-L293 HydrophobicContact CB-CB 3.79Å; P227-L293 HydrophobicContact CG-CB 3.88Å; P227-L293 HydrophobicContact CG-CD1 3.82Å; D290-L293 CarbonylContact O-C 3.6Å; D290-L293 WeakPolarHBondContact O-CA 3.27Å; D290-L293 VanDerWaalsContact O-CB 3.29Å; D290-L293 WeakPolarHBondContact O-CB 3.43Å; D290-L293 PolarHBondContact O-N 3.46Å; N291-L293 PolarHBondContact O-N 3.29Å; L293-R296 VanDerWaalsContact O-CD 3.29Å; L293-R296 WeakPolarHBondContact O-CD 3.48Å; L293-R296 VanDerWaalsContact O-CG 3.25Å; L293-R296 WeakPolarHBondContact O-CG 3.4Å; L293-R296 VanDerWaalsContact O-CZ 3.25Å; L293-R296 PolarHBondContact O-NE 2.94Å; L293-I302 HydrophobicContact CD2-CD1 3.2Å; L293-I304 HydrophobicContact CD2-CD1 3.95Å; L293-L313 HydrophobicContact CD1-CD2 4.02Å; L293-L313 HydrophobicContact CD1-CG 4.22Å
294	R	63.6	Low	64.7	Low	11 Å²	11	70 Å²	70	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-76.5	-33.1	-179.4	-70.3	-167.8	172.7	103.3	26.1	114.8	P227 G228 E249 K287 D290 N291	P227-R294 HydrophobicContact CB-CG 4.01Å; G228-R294 WeakPolarHBondContact O-CD 3.44Å; G228-R294 VanDerWaalsContact O-CG 3.29Å; G228-R294 WeakPolarHBondContact O-CG 3.37Å; G228-R294 PolarHBondContact O-NE 2.81Å; E249-R294 IonicContact OE1-NH2 3.78Å; E249-R294 IonicContact OE2-CZ 2.85Å; E249-R294 IonicContact OE2-NE 2.99Å; E249-R294 PolarHBondContact OE2-NE 3.18Å; E249-R294 IonicContact OE2-NH2 3.1Å; E249-R294 PolarHBondContact OE2-NH2 3.25Å; E249-R294 VanDerWaalsContact OE2-NH2 3.15Å; K287-R294 VanDerWaalsContact O-CZ 3.24Å; K287-R294 PolarHBondContact O-NH1 2.81Å; K287-R294 PolarHBondContact O-NH2 3.17Å; D290-R294 WeakPolarHBondContact O-CG 3.26Å; D290-R294 PolarHBondContact O-N 3.22Å; N291-R294 WeakPolarHBondContact O-CB 3.39Å; N291-R294 PolarHBondContact O-N 3.44Å; N291-R294 PolarHBondContact OD1-NH1 2.84Å
295	F	58.2	Low	63.1	Low	104 Å²	104	72.8 Å²	72.8	46%	0.456	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	34.5	-172.3	-63.9	-70.6	0	0	0	112.3	N291	N291-F295 HydrophobicContact CB-CD2 4.46Å; N291-F295 HydrophobicContact CB-CE2 4.37Å; N291-F295 VanDerWaalsContact O-CD2 3.25Å; N291-F295 WeakPolarHBondContact O-CD2 3.48Å; N291-F295 PolarHBondContact O-N 3.11Å
296	R	59	Low	61.7	Low	37 Å²	37	81 Å²	81	14%	0.14	40%	0.404	C	S	.	.			trans	-57.6	142.2	179.8	-67.9	165.9	-159.5	169.6	-7.5	111.2	L293 S298 I302 P311	L293-R296 VanDerWaalsContact O-CD 3.29Å; L293-R296 WeakPolarHBondContact O-CD 3.48Å; L293-R296 VanDerWaalsContact O-CG 3.25Å; L293-R296 WeakPolarHBondContact O-CG 3.4Å; L293-R296 VanDerWaalsContact O-CZ 3.25Å; L293-R296 PolarHBondContact O-NE 2.94Å; R296-S298 WeakPolarHBondContact CB-O 3.24Å; R296-I302 HydrophobicContact CG-CD1 3.76Å; R296-I302 HydrophobicContact CG-CG1 4.04Å; R296-P311 VanDerWaalsContact CZ-C 3.48Å; R296-P311 PolarHBondContact NH1-O 2.72Å; R296-P311 PolarHBondContact NH2-O 3.21Å
297	Y	49	Very low	60.3	Low	177 Å²	177	85.1 Å²	85.1	69%	0.694	42%	0.422	S	S	*	.	S	Bend	trans	-82.9	-23.5	168.8	-65.9	-79.4	0	0	0	112.1
298	S	52.5	Low	59.5	Low	48 Å²	48	89.8 Å²	89.8	34%	0.336	44%	0.439	S	S	.	.			trans	-142	149.9	177.1	74.7	0	0	0	0	112.4	R296	R296-S298 WeakPolarHBondContact CB-O 3.24Å
299	N	54.8	Low	58.9	Low	49 Å²	49	86.8 Å²	86.8	26%	0.262	43%	0.426	S	S	.	.	S	Bend	trans	-93.2	6.1	-174.7	-67.4	-27	0	0	0	114.2	E177	E177-N299 HydrophobicContact CG-CB 3.87Å; E177-N299 PolarHBondContact OE1-ND2 2.79Å
300	T	55.1	Low	58.9	Low	110 Å²	110	81.5 Å²	81.5	68%	0.675	41%	0.409	S	S	*	.	S	Bend	trans	-99.8	-50.8	-172.1	46.5	0	0	0	0	113.1	P311	T300-P311 WeakPolarHBondContact O-CD 3.32Å
301	Q	55.9	Low	58.9	Low	110 Å²	110	81.4 Å²	81.4	51%	0.514	41%	0.409	S	S	.	.			trans	-154.1	152.6	178.7	-63.9	-178.8	-10.6	0	0	110.6	Y308	Q301-Y308 HydrophobicContact CB-CD1 3.88Å; Q301-Y308 VanDerWaalsContact OE1-CD1 3.25Å
302	I	51.3	Low	59.7	Low	25 Å²	25	80.3 Å²	80.3	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.5	-178.8	-49.4	166.5	0	0	0	109	L293 R296 I304 Y308 K309 P311	L293-I302 HydrophobicContact CD2-CD1 3.2Å; R296-I302 HydrophobicContact CG-CD1 3.76Å; R296-I302 HydrophobicContact CG-CG1 4.04Å; I302-I304 HydrophobicContact CB-CG1 4.4Å; I302-I304 HydrophobicContact CG2-CD1 4.19Å; I302-I304 HydrophobicContact CG2-CG1 3.79Å; I302-I304 PolarHBondContact O-N 3.31Å; I302-Y308 CarbonylContact O-C 3.52Å; I302-Y308 WeakPolarHBondContact O-CA 3.3Å; I302-K309 PolarHBondContact N-O 3.01Å; I302-K309 PolarHBondContact O-N 2.79Å; I302-P311 HydrophobicContact CD1-CB 4.23Å; I302-P311 HydrophobicContact CG1-CB 4.41Å
303	M	45.4	Very low	60.9	Low	99 Å²	99	79.9 Å²	79.9	49%	0.488	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.4	169.5	-73.7	-67	-80.9	0	0	109.8	E307 Y308	M303-E307 WeakPolarHBondContact CA-O 3.38Å; M303-Y308 HydrophobicContact CE-CE2 4.19Å; M303-Y308 HydrophobicContact CG-CD1 3.96Å; M303-Y308 HydrophobicContact CG-CE1 3.68Å; M303-Y308 HydrophobicContact SD-CD1 3.53Å; M303-Y308 VanDerWaalsContact SD-CD1 3.53Å; M303-Y308 HydrophobicContact SD-CD2 3.47Å; M303-Y308 WeakPolarHBondContact SD-CD2 3.49Å; M303-Y308 HydrophobicContact SD-CE1 3.48Å; M303-Y308 WeakPolarHBondContact SD-CE1 3.45Å; M303-Y308 HydrophobicContact SD-CE2 3.41Å; M303-Y308 WeakPolarHBondContact SD-CE2 3.36Å; M303-Y308 HydrophobicContact SD-CG 3.53Å; M303-Y308 VanDerWaalsContact SD-CG 3.53Å
304	I	56.6	Low	62.1	Low	50 Å²	50	83.2 Å²	83.2	26%	0.256	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.6	172.9	-58	178.5	0	0	0	107.1	L293 I302 Q306 E307 K309	L293-I304 HydrophobicContact CD2-CD1 3.95Å; I302-I304 HydrophobicContact CB-CG1 4.4Å; I302-I304 HydrophobicContact CG2-CD1 4.19Å; I302-I304 HydrophobicContact CG2-CG1 3.79Å; I302-I304 PolarHBondContact O-N 3.31Å; I304-Q306 VanDerWaalsContact C-N 3.29Å; I304-Q306 PolarHBondContact O-N 3.47Å; I304-E307 PolarHBondContact N-O 2.98Å; I304-E307 PolarHBondContact O-N 3.03Å; I304-K309 HydrophobicContact CB-CD 4.04Å; I304-K309 HydrophobicContact CB-CG 4.4Å; I304-K309 HydrophobicContact CD1-CB 4.41Å; I304-K309 HydrophobicContact CD1-CD 4.23Å; I304-K309 HydrophobicContact CG2-CD 4.49Å
305	N	55.8	Low	63.4	Low	145 Å²	145	83.7 Å²	83.7	78%	0.775	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	42.8	-177.5	-58.3	-17.1	0	0	0	113.5	E307	N305-E307 PolarHBondContact O-N 3.18Å
306	Q	57.8	Low	65	Low	179 Å²	179	84.8 Å²	84.8	84%	0.836	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	8.6	-176.9	-56.7	178.9	-29.8	0	0	115.7	I304	I304-Q306 VanDerWaalsContact C-N 3.29Å; I304-Q306 PolarHBondContact O-N 3.47Å
307	E	51.3	Low	66.4	Low	118 Å²	118	84.6 Å²	84.6	55%	0.551	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.3	172.3	-66.6	178.4	163	0	0	110.8	M303 I304 N305 K309	M303-E307 WeakPolarHBondContact CA-O 3.38Å; I304-E307 PolarHBondContact N-O 2.98Å; I304-E307 PolarHBondContact O-N 3.03Å; N305-E307 PolarHBondContact O-N 3.18Å; E307-K309 HydrophobicContact CB-CG 4.46Å; E307-K309 PolarHBondContact O-N 3.06Å; E307-K309 VanDerWaalsContact OE2-CE 3.27Å; E307-K309 WeakPolarHBondContact OE2-CE 3.31Å; E307-K309 IonicContact OE2-NZ 3.56Å
308	Y	62.6	Low	67.9	Low	162 Å²	162	82 Å²	82	64%	0.635	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.5	167.6	-71.5	-83.9	0	0	0	109	Q301 I302 M303	Q301-Y308 HydrophobicContact CB-CD1 3.88Å; Q301-Y308 VanDerWaalsContact OE1-CD1 3.25Å; I302-Y308 CarbonylContact O-C 3.52Å; I302-Y308 WeakPolarHBondContact O-CA 3.3Å; M303-Y308 HydrophobicContact CE-CE2 4.19Å; M303-Y308 HydrophobicContact CG-CD1 3.96Å; M303-Y308 HydrophobicContact CG-CE1 3.68Å; M303-Y308 HydrophobicContact SD-CD1 3.53Å; M303-Y308 VanDerWaalsContact SD-CD1 3.53Å; M303-Y308 HydrophobicContact SD-CD2 3.47Å; M303-Y308 WeakPolarHBondContact SD-CD2 3.49Å; M303-Y308 HydrophobicContact SD-CE1 3.48Å; M303-Y308 WeakPolarHBondContact SD-CE1 3.45Å; M303-Y308 HydrophobicContact SD-CE2 3.41Å; M303-Y308 WeakPolarHBondContact SD-CE2 3.36Å; M303-Y308 HydrophobicContact SD-CG 3.53Å; M303-Y308 VanDerWaalsContact SD-CG 3.53Å
309	K	64.2	Low	68.9	Low	83 Å²	83	85.2 Å²	85.2	36%	0.361	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149	176.5	-62.8	-164.9	-178.8	-174.9	0	110.9	I302 I304 E307	I302-K309 PolarHBondContact N-O 3.01Å; I302-K309 PolarHBondContact O-N 2.79Å; I304-K309 HydrophobicContact CB-CD 4.04Å; I304-K309 HydrophobicContact CB-CG 4.4Å; I304-K309 HydrophobicContact CD1-CB 4.41Å; I304-K309 HydrophobicContact CD1-CD 4.23Å; I304-K309 HydrophobicContact CG2-CD 4.49Å; E307-K309 HydrophobicContact CB-CG 4.46Å; E307-K309 PolarHBondContact O-N 3.06Å; E307-K309 VanDerWaalsContact OE2-CE 3.27Å; E307-K309 WeakPolarHBondContact OE2-CE 3.31Å; E307-K309 IonicContact OE2-NZ 3.56Å
310	A	72.3	Confident	70	Confident	43 Å²	43	89.8 Å²	89.8	36%	0.355	46%	0.455	S	S	.	.			trans	-56.1	144.2	172.4	0	0	0	0	0	110	Y312	A310-Y312 HydrophobicContact CB-CD1 4.08Å; A310-Y312 HydrophobicContact CB-CD2 4.25Å; A310-Y312 HydrophobicContact CB-CE1 3.77Å; A310-Y312 HydrophobicContact CB-CE2 3.95Å; A310-Y312 HydrophobicContact CB-CG 4.32Å; A310-Y312 PolarHBondContact O-N 3.19Å
311	P	76	Confident	71.4	Confident	13 Å²	13	85.7 Å²	85.7	8%	0.084	43%	0.428	C	S	.	.	S	Bend	trans	-76.3	36.8	176.9	33.8	-35.5	0	0	0	111.7	F226 R296 T300 I302	F226-P311 WeakPolarHBondContact CD1-O 3.29Å; R296-P311 VanDerWaalsContact CZ-C 3.48Å; R296-P311 PolarHBondContact NH1-O 2.72Å; R296-P311 PolarHBondContact NH2-O 3.21Å; T300-P311 WeakPolarHBondContact O-CD 3.32Å; I302-P311 HydrophobicContact CD1-CB 4.23Å; I302-P311 HydrophobicContact CG1-CB 4.41Å
312	Y	85	Confident	73.1	Confident	31 Å²	31	86 Å²	86	12%	0.122	43%	0.428	C	S	.	.	S	Bend	trans	-162.6	160.3	178.5	51.2	-93.9	0	0	0	110.8	P181 R224 H225 F226 A310 E314	P181-Y312 WeakPolarHBondContact CD-OH 3.39Å; P181-Y312 WeakPolarHBondContact CG-OH 3.47Å; R224-Y312 HydrophobicContact CB-CD2 4.07Å; R224-Y312 HydrophobicContact CB-CG 4.33Å; R224-Y312 HydrophobicContact CG-CD2 3.79Å; R224-Y312 HydrophobicContact CG-CE2 3.87Å; R224-Y312 HydrophobicContact CG-CG 4.43Å; H225-Y312 CarbonylContact O-C 3.54Å; H225-Y312 WeakPolarHBondContact O-CA 3.01Å; H225-Y312 WeakPolarHBondContact O-CB 3.21Å; F226-Y312 HydrophobicContact CD1-CD1 4.15Å; F226-Y312 HydrophobicContact CD1-CG 4.35Å; F226-Y312 AromaticContact CE1-CD1 3.39Å; F226-Y312 HydrophobicContact CE1-CD1 3.39Å; F226-Y312 HydrophobicContact CE1-CE1 4.31Å; F226-Y312 AromaticContact CE1-CG 3.87Å; F226-Y312 HydrophobicContact CE1-CG 3.87Å; F226-Y312 AromaticContact CZ-CD1 3.7Å; F226-Y312 HydrophobicContact CZ-CD1 3.7Å; F226-Y312 HydrophobicContact CZ-CE1 4.43Å; F226-Y312 AromaticContact CZ-CG 3.96Å; F226-Y312 HydrophobicContact CZ-CG 3.96Å; A310-Y312 HydrophobicContact CB-CD1 4.08Å; A310-Y312 HydrophobicContact CB-CD2 4.25Å; A310-Y312 HydrophobicContact CB-CE1 3.77Å; A310-Y312 HydrophobicContact CB-CE2 3.95Å; A310-Y312 HydrophobicContact CB-CG 4.32Å; A310-Y312 PolarHBondContact O-N 3.19Å; Y312-E314 HydrophobicContact CD2-CB 4.11Å; Y312-E314 HydrophobicContact CE2-CB 4.04Å; Y312-E314 HydrophobicContact CE2-CG 4.44Å; Y312-E314 WeakPolarHBondContact CE2-OE2 3.45Å
313	L	87.5	Confident	75.2	Confident	67 Å²	67	85 Å²	85	35%	0.351	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.7	168.8	-56	177.1	0	0	0	107.9	H225 L293	H225-L313 HydrophobicContact CB-CB 4.36Å; H225-L313 PolarHBondContact N-O 2.95Å; H225-L313 PolarHBondContact O-N 3.48Å; L293-L313 HydrophobicContact CD1-CD2 4.02Å; L293-L313 HydrophobicContact CD1-CG 4.22Å
314	E	90.4	Very high	77.6	Confident	87 Å²	87	86.4 Å²	86.4	41%	0.407	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.5	-178.4	-163.5	166.6	84.7	0	0	111.2	V222 R223 R224 Y312	V222-E314 HydrophobicContact CG1-CG 3.79Å; R223-E314 CarbonylContact O-C 3.56Å; R223-E314 VanDerWaalsContact O-CA 3.29Å; R223-E314 WeakPolarHBondContact O-CA 3.47Å; R224-E314 HydrophobicContact CG-CG 4.16Å; R224-E314 IonicContact CZ-OE2 3.73Å; R224-E314 IonicContact NE-OE2 2.71Å; R224-E314 PolarHBondContact NE-OE2 2.85Å; R224-E314 IonicContact NH2-OE2 2.79Å; Y312-E314 HydrophobicContact CD2-CB 4.11Å; Y312-E314 HydrophobicContact CE2-CB 4.04Å; Y312-E314 HydrophobicContact CE2-CG 4.44Å; Y312-E314 WeakPolarHBondContact CE2-OE2 3.45Å
315	A	91.6	Very high	79.6	Confident	20 Å²	20	85.8 Å²	85.8	17%	0.165	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.8	162.7	0	0	0	0	0	108.8	V222 R223 F317	V222-A315 WeakPolarHBondContact CA-O 3.49Å; R223-A315 PolarHBondContact N-O 2.9Å; R223-A315 VanDerWaalsContact NH2-CB 3.3Å; R223-A315 PolarHBondContact O-N 3.41Å; A315-F317 HydrophobicContact CB-CE1 4.17Å; A315-F317 HydrophobicContact CB-CZ 4.11Å
316	I	90.6	Very high	81.5	Confident	127 Å²	127	79.6 Å²	79.6	65%	0.651	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	174.9	-58.5	173.7	0	0	0	106.7	T221	T221-I316 WeakPolarHBondContact O-CA 3.26Å
317	F	88.3	Confident	83.4	Confident	34 Å²	34	74.1 Å²	74.1	15%	0.149	37%	0.369	C	S	.	.			trans	-113.1	153.9	179.6	-51	-68.8	0	0	0	110.2	T221 R223 Y253 D280 A315 M321	T221-F317 PolarHBondContact O-N 3.23Å; R223-F317 HydrophobicContact CB-CE2 3.5Å; R223-F317 VanDerWaalsContact CB-CE2 3.5Å; R223-F317 HydrophobicContact CB-CZ 3.73Å; Y253-F317 HydrophobicContact CD1-CE2 4.11Å; Y253-F317 AromaticContact CE1-CE2 3.83Å; Y253-F317 HydrophobicContact CE1-CE2 3.83Å; Y253-F317 HydrophobicContact CE1-CZ 4.15Å; D280-F317 HydrophobicContact CB-CZ 4.34Å; A315-F317 HydrophobicContact CB-CE1 4.17Å; A315-F317 HydrophobicContact CB-CZ 4.11Å; F317-M321 HydrophobicContact CB-CG 4.36Å; F317-M321 HydrophobicContact CB-SD 3.45Å; F317-M321 WeakPolarHBondContact CB-SD 3.37Å; F317-M321 HydrophobicContact CD1-CE 4.37Å; F317-M321 HydrophobicContact CD1-SD 3.32Å; F317-M321 WeakPolarHBondContact CD1-SD 3.12Å; F317-M321 HydrophobicContact CD2-CE 4.19Å; F317-M321 HydrophobicContact CD2-SD 3.57Å; F317-M321 VanDerWaalsContact CD2-SD 3.57Å; F317-M321 HydrophobicContact CE1-CE 4.35Å; F317-M321 HydrophobicContact CE1-SD 3.84Å; F317-M321 HydrophobicContact CE2-CE 4.15Å; F317-M321 HydrophobicContact CE2-SD 4.04Å; F317-M321 HydrophobicContact CG-CE 4.29Å; F317-M321 HydrophobicContact CG-SD 3.15Å; F317-M321 WeakPolarHBondContact CG-SD 3.31Å; F317-M321 HydrophobicContact CZ-CE 4.24Å; F317-M321 HydrophobicContact CZ-SD 4.18Å
318	N	80.2	Confident	85.5	Confident	121 Å²	121	71 Å²	71	65%	0.647	35%	0.354	S	S	*	.			trans	-80	171.2	167	-60.7	-18.4	0	0	0	109.7	D320	N318-D320 PolarHBondContact O-N 3.29Å
319	D	74.4	Confident	87.1	Confident	116 Å²	116	63.3 Å²	63.3	62%	0.62	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	5.7	-177.4	-62.7	-27.7	0	0	0	115.1	I219 M321	I219-D319 HydrophobicContact CG2-CB 4.43Å; D319-M321 PolarHBondContact O-N 2.7Å
320	D	78	Confident	88.6	Confident	146 Å²	146	59.4 Å²	59.4	78%	0.781	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.3	-179.2	-61	-38.1	0	0	0	113.3	N318 K322	N318-D320 PolarHBondContact O-N 3.29Å; D320-K322 VanDerWaalsContact C-N 3.29Å; D320-K322 PolarHBondContact O-N 2.71Å
321	M	84	Confident	89.7	Confident	23 Å²	23	58.6 Å²	58.6	11%	0.113	30%	0.295	C	S	.	.			trans	-89.5	35.5	-175.3	-69.4	-175.7	69.1	0	0	113.9	P220 I279 D280 F317 D319 L323	P220-M321 WeakPolarHBondContact CD-O 3.28Å; I279-M321 HydrophobicContact CB-CE 3.87Å; I279-M321 HydrophobicContact CD1-CB 4.19Å; I279-M321 HydrophobicContact CD1-CE 3.3Å; I279-M321 HydrophobicContact CG1-CE 3.38Å; I279-M321 WeakPolarHBondContact O-CE 3.49Å; D280-M321 HydrophobicContact CB-CE 4.2Å; F317-M321 HydrophobicContact CB-CG 4.36Å; F317-M321 HydrophobicContact CB-SD 3.45Å; F317-M321 WeakPolarHBondContact CB-SD 3.37Å; F317-M321 HydrophobicContact CD1-CE 4.37Å; F317-M321 HydrophobicContact CD1-SD 3.32Å; F317-M321 WeakPolarHBondContact CD1-SD 3.12Å; F317-M321 HydrophobicContact CD2-CE 4.19Å; F317-M321 HydrophobicContact CD2-SD 3.57Å; F317-M321 VanDerWaalsContact CD2-SD 3.57Å; F317-M321 HydrophobicContact CE1-CE 4.35Å; F317-M321 HydrophobicContact CE1-SD 3.84Å; F317-M321 HydrophobicContact CE2-CE 4.15Å; F317-M321 HydrophobicContact CE2-SD 4.04Å; F317-M321 HydrophobicContact CG-CE 4.29Å; F317-M321 HydrophobicContact CG-SD 3.15Å; F317-M321 WeakPolarHBondContact CG-SD 3.31Å; F317-M321 HydrophobicContact CZ-CE 4.24Å; F317-M321 HydrophobicContact CZ-SD 4.18Å; D319-M321 PolarHBondContact O-N 2.7Å; M321-L323 PolarHBondContact O-N 3.3Å
322	K	92	Very high	90.4	Very high	117 Å²	117	58 Å²	58	51%	0.509	29%	0.291	S	S	.	.			trans	-66	122.5	-178.7	-173.6	170.5	-179	172.8	0	112	E217 I219 D320	E217-K322 VanDerWaalsContact CD-CE 3.44Å; E217-K322 WeakPolarHBondContact OE1-CE 3.48Å; E217-K322 IonicContact OE1-NZ 3.57Å; E217-K322 PolarHBondContact OE1-NZ 3.16Å; I219-K322 HydrophobicContact CG1-CB 4.23Å; I219-K322 HydrophobicContact CG1-CG 4.17Å; D320-K322 VanDerWaalsContact C-N 3.29Å; D320-K322 PolarHBondContact O-N 2.71Å
323	L	95.5	Very high	90.3	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-108	134.4	174.7	-72.6	170.5	0	0	0	110.4	E217 W218 P220 I279 M321 D327 F329	E217-L323 VanDerWaalsContact CA-O 3.32Å; E217-L323 WeakPolarHBondContact CA-O 3.25Å; W218-L323 HydrophobicContact CZ2-CD1 4.37Å; W218-L323 PolarHBondContact N-O 3.13Å; W218-L323 VanDerWaalsContact N-O 3.09Å; W218-L323 PolarHBondContact O-N 2.91Å; P220-L323 HydrophobicContact CG-CD1 4.05Å; I279-L323 HydrophobicContact CD1-CD1 3.81Å; I279-L323 HydrophobicContact CD1-CD2 4.09Å; I279-L323 HydrophobicContact CD1-CG 3.92Å; I279-L323 HydrophobicContact CG2-CD2 4.11Å; M321-L323 PolarHBondContact O-N 3.3Å; L323-D327 HydrophobicContact CD2-CB 4.17Å; L323-F329 HydrophobicContact CD1-CB 4.45Å; L323-F329 HydrophobicContact CD1-CD1 4.34Å; L323-F329 HydrophobicContact CD1-CD2 3.59Å; L323-F329 HydrophobicContact CD1-CE2 3.82Å; L323-F329 HydrophobicContact CD1-CG 3.89Å; L323-F329 HydrophobicContact CD1-CZ 4.27Å
324	K	96.5	Very high	89.6	Confident	128 Å²	128	57.9 Å²	57.9	56%	0.557	29%	0.287	S	S	*	.			trans	-88.1	156	169.9	-58.6	178.2	179.7	177	0	110.6	S214 V216 G326 D327	S214-K324 VanDerWaalsContact CB-O 3.25Å; S214-K324 WeakPolarHBondContact CB-O 3.46Å; V216-K324 CarbonylContact O-C 3.49Å; K324-G326 PolarHBondContact O-N 2.55Å; K324-D327 WeakPolarHBondContact CA-OD2 3.49Å; K324-D327 VanDerWaalsContact CB-OD2 3.31Å; K324-D327 WeakPolarHBondContact CB-OD2 3.37Å; K324-D327 PolarHBondContact N-OD2 3.09Å; K324-D327 WeakPolarHBondContact O-CB 3.26Å; K324-D327 PolarHBondContact O-N 2.81Å
325	K	97.3	Very high	88.4	Confident	36 Å²	36	54.5 Å²	54.5	16%	0.157	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	120.6	172.8	-173.3	-178.4	-65.3	169	0	110.2	I138 Y140 A142 V145 V216	I138-K325 HydrophobicContact CG2-CD 4.23Å; I138-K325 HydrophobicContact CG2-CG 3.97Å; Y140-K325 HydrophobicContact CD1-CD 4.5Å; Y140-K325 PolarHBondContact O-NZ 3.05Å; Y140-K325 VanDerWaalsContact O-NZ 3.13Å; A142-K325 PolarHBondContact O-NZ 3.31Å; V145-K325 HydrophobicContact CG1-CD 4.14Å; V145-K325 HydrophobicContact CG2-CD 4.16Å; V145-K325 HydrophobicContact CG2-CG 3.75Å; V216-K325 WeakPolarHBondContact O-CA 3.29Å; V216-K325 PolarHBondContact O-N 2.91Å
326	G	96.6	Very high	88.1	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-7.2	-178.6	0	0	0	0	0	115.8	H213 S214 K324	H213-G326 PolarHBondContact ND1-O 2.87Å; S214-G326 PolarHBondContact O-N 3.01Å; K324-G326 PolarHBondContact O-N 2.55Å
327	D	96.9	Very high	88.2	Confident	65 Å²	65	47.5 Å²	47.5	35%	0.348	24%	0.237	S	C	.	.			trans	-62.7	139	176.2	-74.6	-11.3	0	0	0	111.1	H213 S214 L323 K324 F329	H213-D327 CarbonylContact C-O 3.56Å; H213-D327 WeakPolarHBondContact CA-O 3.27Å; H213-D327 VanDerWaalsContact CB-O 3.26Å; H213-D327 WeakPolarHBondContact CB-O 3.49Å; S214-D327 PolarHBondContact N-O 3.46Å; L323-D327 HydrophobicContact CD2-CB 4.17Å; K324-D327 WeakPolarHBondContact CA-OD2 3.49Å; K324-D327 VanDerWaalsContact CB-OD2 3.31Å; K324-D327 WeakPolarHBondContact CB-OD2 3.37Å; K324-D327 PolarHBondContact N-OD2 3.09Å; K324-D327 WeakPolarHBondContact O-CB 3.26Å; K324-D327 PolarHBondContact O-N 2.81Å; D327-F329 PolarHBondContact O-N 3.38Å; D327-F329 VanDerWaalsContact O-N 3.14Å
328	E	96.6	Very high	88.6	Confident	53 Å²	53	45.9 Å²	45.9	25%	0.248	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	112	174.9	-171.2	-172.1	108.6	0	0	109.7	R211 H213 N278	R211-E328 WeakPolarHBondContact CD-OE2 3.49Å; R211-E328 IonicContact CZ-OE2 3.63Å; R211-E328 IonicContact NE-OE2 3.99Å; R211-E328 IonicContact NH1-OE1 2.84Å; R211-E328 PolarHBondContact NH1-OE1 2.9Å; R211-E328 IonicContact NH1-OE2 3.73Å; R211-E328 PolarHBondContact NH1-OE2 3.45Å; H213-E328 WeakPolarHBondContact ND1-CA 3.3Å; H213-E328 PolarHBondContact ND1-N 2.85Å; N278-E328 PolarHBondContact ND2-O 3.45Å; N278-E328 PolarHBondContact ND2-OE1 3.4Å
329	F	95.4	Very high	89.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-39.5	-175.5	-176.7	-159	0	0	0	111.4	F212 W218 Y253 F264 V277 N278 I279 L323 D327	F212-F329 HydrophobicContact CD2-CB 3.94Å; F212-F329 AromaticContact CD2-CD1 3.93Å; F212-F329 HydrophobicContact CD2-CD1 3.93Å; F212-F329 HydrophobicContact CD2-CG 4.16Å; F212-F329 HydrophobicContact CE2-CB 4.14Å; F212-F329 AromaticContact CE2-CD1 3.87Å; F212-F329 HydrophobicContact CE2-CD1 3.87Å; F212-F329 AromaticContact CE2-CG 4Å; F212-F329 HydrophobicContact CE2-CG 4Å; F212-F329 PolarHBondContact O-N 3.48Å; W218-F329 AromaticContact CZ2-CE1 3.89Å; W218-F329 HydrophobicContact CZ2-CE1 3.89Å; W218-F329 HydrophobicContact CZ2-CZ 4.19Å; Y253-F329 HydrophobicContact CD1-CZ 4.03Å; Y253-F329 HydrophobicContact CD2-CE1 4.26Å; Y253-F329 AromaticContact CD2-CZ 3.68Å; Y253-F329 HydrophobicContact CD2-CZ 3.68Å; Y253-F329 HydrophobicContact CE1-CZ 4.43Å; Y253-F329 HydrophobicContact CE2-CZ 4.12Å; Y253-F329 HydrophobicContact CG-CE1 4.42Å; Y253-F329 AromaticContact CG-CZ 3.65Å; Y253-F329 HydrophobicContact CG-CZ 3.65Å; F264-F329 HydrophobicContact CB-CE1 4.01Å; F264-F329 AromaticContact CD1-CD1 3.96Å; F264-F329 HydrophobicContact CD1-CD1 3.96Å; F264-F329 AromaticContact CD1-CE1 3.65Å; F264-F329 HydrophobicContact CD1-CE1 3.65Å; F264-F329 HydrophobicContact CD2-CD1 4.23Å; F264-F329 HydrophobicContact CD2-CE1 4.3Å; F264-F329 HydrophobicContact CE1-CD1 4.11Å; F264-F329 HydrophobicContact CE1-CE1 4.23Å; F264-F329 HydrophobicContact CE2-CD1 4.34Å; F264-F329 HydrophobicContact CG-CD1 4.05Å; F264-F329 AromaticContact CG-CE1 3.72Å; F264-F329 HydrophobicContact CG-CE1 3.72Å; F264-F329 HydrophobicContact CZ-CD1 4.31Å; V277-F329 HydrophobicContact CG1-CD2 3.76Å; V277-F329 HydrophobicContact CG1-CE2 3.38Å; V277-F329 HydrophobicContact CG1-CZ 4.18Å; N278-F329 PolarHBondContact N-O 2.78Å; I279-F329 HydrophobicContact CD1-CD2 3.96Å; I279-F329 HydrophobicContact CD1-CE2 3.55Å; I279-F329 HydrophobicContact CG1-CD2 3.96Å; I279-F329 HydrophobicContact CG1-CE2 3.69Å; L323-F329 HydrophobicContact CD1-CB 4.45Å; L323-F329 HydrophobicContact CD1-CD1 4.34Å; L323-F329 HydrophobicContact CD1-CD2 3.59Å; L323-F329 HydrophobicContact CD1-CE2 3.82Å; L323-F329 HydrophobicContact CD1-CG 3.89Å; L323-F329 HydrophobicContact CD1-CZ 4.27Å; D327-F329 PolarHBondContact O-N 3.38Å; D327-F329 VanDerWaalsContact O-N 3.14Å
330	G	95.3	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-165.8	178.9	0	0	0	0	0	113.4	R211 F212 H276	R211-G330 WeakPolarHBondContact CA-O 3.33Å; F212-G330 VanDerWaalsContact CE1-C 3.44Å; F212-G330 VanDerWaalsContact CE2-CA 3.44Å; F212-G330 VanDerWaalsContact CZ-C 3.47Å; F212-G330 VanDerWaalsContact CZ-CA 3.48Å; F212-G330 PolarHBondContact N-O 3.33Å; F212-G330 PolarHBondContact O-N 3.12Å; H276-G330 CarbonylContact O-C 3.54Å; H276-G330 WeakPolarHBondContact O-CA 3.36Å
331	Y	94.7	Very high	91.3	Very high	26 Å²	26	27.7 Å²	27.7	10%	0.102	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157.9	179.5	58.3	-96.8	0	0	0	113.4	I128 H210 F212 H276 R333	I128-Y331 HydrophobicContact CB-CD2 4.35Å; I128-Y331 HydrophobicContact CD1-CD2 4.32Å; I128-Y331 HydrophobicContact CD1-CE2 4.08Å; I128-Y331 HydrophobicContact CG2-CD2 3.76Å; I128-Y331 HydrophobicContact CG2-CE2 4.41Å; I128-Y331 HydrophobicContact CG2-CG 4.4Å; H210-Y331 CarbonylContact O-C 3.57Å; H210-Y331 VanDerWaalsContact O-CA 3.3Å; H210-Y331 WeakPolarHBondContact O-CA 3.25Å; F212-Y331 VanDerWaalsContact CE1-CA 3.5Å; H276-Y331 HydrophobicContact CB-CD1 4.28Å; H276-Y331 HydrophobicContact CB-CD2 3.99Å; H276-Y331 HydrophobicContact CB-CE1 3.87Å; H276-Y331 HydrophobicContact CB-CE2 3.53Å; H276-Y331 HydrophobicContact CB-CG 4.33Å; H276-Y331 VanDerWaalsContact CB-CZ 3.45Å; H276-Y331 AromaticContact CD2-CD1 3.96Å; H276-Y331 AromaticContact CD2-CE1 3.16Å; H276-Y331 WeakPolarHBondContact CD2-CE1 3.32Å; H276-Y331 AromaticContact CD2-CZ 3.4Å; H276-Y331 PolarHBondContact CD2-OH 3.24Å; H276-Y331 AromaticContact CG-CE1 3.7Å; H276-Y331 AromaticContact CG-CZ 3.46Å; H276-Y331 VanDerWaalsContact CG-CZ 3.46Å; H276-Y331 PolarHBondContact N-O 3.19Å; H276-Y331 PolarHBondContact O-N 2.71Å; Y331-R333 HydrophobicContact CD2-CG 4.21Å; Y331-R333 HydrophobicContact CE2-CG 3.96Å
332	F	91.1	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.5	172.7	-58	-89.4	0	0	0	110.9	I128 H210 F212 A266 I275 L334 S336 V338	I128-F332 WeakPolarHBondContact CG2-O 3.16Å; H210-F332 HydrophobicContact CB-CB 4.42Å; H210-F332 PolarHBondContact O-N 3.47Å; F212-F332 AromaticContact CD1-CD2 3.54Å; F212-F332 HydrophobicContact CD1-CD2 3.54Å; F212-F332 AromaticContact CD1-CE2 3.28Å; F212-F332 HydrophobicContact CD1-CE2 3.28Å; F212-F332 HydrophobicContact CD1-CG 4.47Å; F212-F332 HydrophobicContact CD1-CZ 4.02Å; F212-F332 AromaticContact CE1-CD2 3.77Å; F212-F332 HydrophobicContact CE1-CD2 3.77Å; F212-F332 HydrophobicContact CE1-CE1 4.44Å; F212-F332 AromaticContact CE1-CE2 3.62Å; F212-F332 HydrophobicContact CE1-CE2 3.62Å; F212-F332 HydrophobicContact CE1-CG 4.29Å; F212-F332 AromaticContact CE1-CZ 3.98Å; F212-F332 HydrophobicContact CE1-CZ 3.98Å; F212-F332 HydrophobicContact CG-CE2 4.27Å; A266-F332 HydrophobicContact CB-CE1 3.65Å; A266-F332 HydrophobicContact CB-CZ 3.52Å; I275-F332 HydrophobicContact CD1-CE1 4.28Å; I275-F332 HydrophobicContact CG1-CD1 3.83Å; I275-F332 HydrophobicContact CG1-CE1 3.97Å; I275-F332 HydrophobicContact CG2-CD1 4.46Å; I275-F332 HydrophobicContact CG2-CE1 4.34Å; F332-L334 VanDerWaalsContact CB-O 3.27Å; F332-L334 WeakPolarHBondContact CB-O 3.5Å; F332-L334 PolarHBondContact O-N 2.97Å; F332-L334 VanDerWaalsContact O-N 3.15Å; F332-S336 WeakPolarHBondContact CD2-OG 3.45Å; F332-S336 VanDerWaalsContact CE1-CB 3.43Å; F332-S336 VanDerWaalsContact CE2-CB 3.44Å; F332-S336 VanDerWaalsContact CE2-OG 3.25Å; F332-S336 WeakPolarHBondContact CE2-OG 3.18Å; F332-S336 VanDerWaalsContact CG-OG 3.23Å; F332-S336 WeakPolarHBondContact CG-OG 3.19Å; F332-S336 VanDerWaalsContact CZ-CB 3.49Å; F332-V338 HydrophobicContact CE2-CG2 4.01Å; F332-V338 HydrophobicContact CZ-CG2 4.19Å
333	R	83.5	Confident	91.8	Very high	76 Å²	76	21.4 Å²	21.4	29%	0.287	11%	0.105	S	C	.	.	S	Bend	trans	-84.1	79.5	167.9	-65.4	-172.3	176.2	-145.8	-4.4	109.7	E86 I128 V272 G273 N274 Y331	E86-R333 IonicContact OE1-NH1 3.64Å; I128-R333 HydrophobicContact CG2-CG 4.32Å; V272-R333 CarbonylContact C-O 3.45Å; V272-R333 WeakPolarHBondContact CA-O 3.33Å; G273-R333 PolarHBondContact N-O 3.36Å; N274-R333 PolarHBondContact O-N 2.83Å; Y331-R333 HydrophobicContact CD2-CG 4.21Å; Y331-R333 HydrophobicContact CE2-CG 3.96Å
334	L	72.5	Confident	91.6	Very high	21 Å²	21	21.2 Å²	21.2	11%	0.11	10%	0.103	C	C	.	.	S	Bend	trans	99.3	165.2	-173.3	-58.8	159.7	0	0	0	114.1	A85 F127 G271 V272 F332	A85-L334 HydrophobicContact CB-CD1 3.6Å; F127-L334 HydrophobicContact CB-CD2 4.47Å; F127-L334 VanDerWaalsContact CD1-CA 3.5Å; F127-L334 HydrophobicContact CD1-CD2 4.29Å; F127-L334 VanDerWaalsContact CD1-N 3.32Å; F127-L334 HydrophobicContact CD2-CD2 3.72Å; F127-L334 HydrophobicContact CE1-CB 4.34Å; F127-L334 HydrophobicContact CE1-CD2 4.43Å; F127-L334 HydrophobicContact CE2-CD2 3.88Å; F127-L334 HydrophobicContact CG-CD2 3.91Å; F127-L334 HydrophobicContact CZ-CB 4.49Å; F127-L334 HydrophobicContact CZ-CD2 4.22Å; G271-L334 VanDerWaalsContact O-CB 3.29Å; G271-L334 WeakPolarHBondContact O-CB 3.27Å; G271-L334 WeakPolarHBondContact O-CD1 3.37Å; V272-L334 VanDerWaalsContact CG2-O 3.24Å; V272-L334 WeakPolarHBondContact CG2-O 3.2Å; F332-L334 VanDerWaalsContact CB-O 3.27Å; F332-L334 WeakPolarHBondContact CB-O 3.5Å; F332-L334 PolarHBondContact O-N 2.97Å; F332-L334 VanDerWaalsContact O-N 3.15Å
335	G	65.6	Low	91.4	Very high	16 Å²	16	16.1 Å²	16.1	17%	0.165	8%	0.084	C	C	.	.			trans	-55.1	158.1	-153.5	0	0	0	0	0	118.6	A269 V272	A269-G335 VanDerWaalsContact CB-O 3.25Å; A269-G335 WeakPolarHBondContact CB-O 3.49Å; A269-G335 PolarHBondContact N-O 3.14Å; V272-G335 WeakPolarHBondContact CG2-O 3.01Å
336	S	85.6	Confident	90.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	172.5	-163.8	52.8	0	0	0	0	115.9	L204 H210 F332	L204-S336 PolarHBondContact N-O 3.17Å; H210-S336 PolarHBondContact ND1-OG 3.47Å; F332-S336 WeakPolarHBondContact CD2-OG 3.45Å; F332-S336 VanDerWaalsContact CE1-CB 3.43Å; F332-S336 VanDerWaalsContact CE2-CB 3.44Å; F332-S336 VanDerWaalsContact CE2-OG 3.25Å; F332-S336 WeakPolarHBondContact CE2-OG 3.18Å; F332-S336 VanDerWaalsContact CG-OG 3.23Å; F332-S336 WeakPolarHBondContact CG-OG 3.19Å; F332-S336 VanDerWaalsContact CZ-CB 3.49Å
337	T	92.9	Very high	90.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.7	169.8	-63	0	0	0	0	108.6	V201 I202 V233 Y245 V267 V339	V201-T337 HydrophobicContact CG1-CG2 3.72Å; I202-T337 WeakPolarHBondContact O-CA 3.05Å; I202-T337 WeakPolarHBondContact O-CG2 3.31Å; V233-T337 WeakPolarHBondContact CB-OG1 3.09Å; V233-T337 VanDerWaalsContact CG2-OG1 3.28Å; V233-T337 WeakPolarHBondContact CG2-OG1 3.44Å; Y245-T337 HydrophobicContact CE1-CG2 4.03Å; V267-T337 PolarHBondContact N-O 2.93Å; V267-T337 PolarHBondContact O-N 2.95Å; V267-T337 VanDerWaalsContact O-N 3.14Å; T337-V339 HydrophobicContact CG2-CG2 4.14Å
338	V	96.1	Very high	89.9	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.2	168.3	169.4	0	0	0	0	108.2	P147 V148 I202 L204 F212 F264 A265 F332 L340	P147-V338 HydrophobicContact CG-CG1 3.91Å; V148-V338 HydrophobicContact CG1-CB 4.47Å; V148-V338 HydrophobicContact CG1-CG2 3.75Å; I202-V338 PolarHBondContact N-O 3.3Å; I202-V338 PolarHBondContact O-N 3.32Å; L204-V338 HydrophobicContact CD1-CG2 4.18Å; F212-V338 HydrophobicContact CB-CG2 4.33Å; F264-V338 HydrophobicContact CD2-CG1 4.49Å; F264-V338 HydrophobicContact CE1-CG1 4Å; F264-V338 HydrophobicContact CE1-CG2 4.14Å; F264-V338 HydrophobicContact CE2-CG1 3.81Å; F264-V338 HydrophobicContact CZ-CB 4.35Å; F264-V338 HydrophobicContact CZ-CG1 3.5Å; F264-V338 HydrophobicContact CZ-CG2 3.83Å; A265-V338 WeakPolarHBondContact O-CA 3.05Å; F332-V338 HydrophobicContact CE2-CG2 4.01Å; F332-V338 HydrophobicContact CZ-CG2 4.19Å; V338-L340 HydrophobicContact CG1-CD2 3.91Å; V338-L340 HydrophobicContact CG1-CG 4.26Å
339	V	96.3	Very high	89.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.5	172.4	-177.5	0	0	0	0	108.1	F178 C200 V201 Y245 A265 V267 T337 V341	F178-V339 HydrophobicContact CE1-CB 3.9Å; F178-V339 HydrophobicContact CE1-CG1 3.73Å; F178-V339 HydrophobicContact CE1-CG2 4.45Å; F178-V339 HydrophobicContact CZ-CB 3.72Å; F178-V339 HydrophobicContact CZ-CG1 4Å; F178-V339 HydrophobicContact CZ-CG2 3.85Å; C200-V339 WeakPolarHBondContact O-CA 3.36Å; V201-V339 HydrophobicContact CG1-CG2 4.29Å; V201-V339 HydrophobicContact CG2-CG1 4.17Å; V201-V339 HydrophobicContact CG2-CG2 4.26Å; Y245-V339 HydrophobicContact CD2-CG2 4.29Å; Y245-V339 HydrophobicContact CE2-CG2 4.44Å; A265-V339 HydrophobicContact CB-CB 4.19Å; A265-V339 WeakPolarHBondContact CB-O 3.32Å; A265-V339 PolarHBondContact N-O 2.78Å; A265-V339 PolarHBondContact O-N 3.09Å; V267-V339 HydrophobicContact CG2-CG2 4.2Å; T337-V339 HydrophobicContact CG2-CG2 4.14Å; V339-V341 HydrophobicContact CG1-CG2 4.32Å
340	L	97.2	Very high	89.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.7	171.3	-55.6	-178.7	0	0	0	108.7	L144 P147 Q199 C200 P215 S263 F264 V338 F342	L144-L340 HydrophobicContact CD1-CD1 4.5Å; L144-L340 HydrophobicContact CD2-CD1 3.98Å; P147-L340 HydrophobicContact CG-CD1 4.13Å; P147-L340 HydrophobicContact CG-CD2 4.41Å; Q199-L340 CarbonylContact C-O 3.58Å; Q199-L340 WeakPolarHBondContact CA-O 3.23Å; C200-L340 HydrophobicContact CB-CB 4.28Å; C200-L340 PolarHBondContact N-O 3.47Å; C200-L340 PolarHBondContact O-N 2.94Å; P215-L340 HydrophobicContact CB-CD1 4.18Å; P215-L340 HydrophobicContact CG-CD1 4.17Å; P215-L340 HydrophobicContact CG-CD2 4.15Å; S263-L340 WeakPolarHBondContact O-CA 3.12Å; F264-L340 HydrophobicContact CB-CD2 4.46Å; F264-L340 HydrophobicContact CD2-CD2 3.43Å; F264-L340 VanDerWaalsContact CD2-CD2 3.43Å; F264-L340 HydrophobicContact CE2-CD2 3.82Å; F264-L340 HydrophobicContact CG-CD2 4.12Å; V338-L340 HydrophobicContact CG1-CD2 3.91Å; V338-L340 HydrophobicContact CG1-CG 4.26Å; L340-F342 HydrophobicContact CB-CD1 4.11Å; L340-F342 HydrophobicContact CB-CE1 4.3Å
341	V	94.8	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.3	167.3	177.7	0	0	0	0	107.6	I158 L165 L175 L179 L197 H198 Q199 S263 V339	I158-V341 HydrophobicContact CD1-CG1 3.75Å; I158-V341 HydrophobicContact CD1-CG2 4.46Å; L165-V341 HydrophobicContact CD1-CG2 4.31Å; L165-V341 HydrophobicContact CD2-CG2 3.74Å; L175-V341 HydrophobicContact CD1-CG1 4.15Å; L175-V341 HydrophobicContact CD1-CG2 4.41Å; L179-V341 HydrophobicContact CD1-CB 4.4Å; L179-V341 HydrophobicContact CD1-CG1 4.26Å; L197-V341 HydrophobicContact CD1-CG1 3.93Å; L197-V341 HydrophobicContact CD2-CG1 3.85Å; L197-V341 HydrophobicContact CG-CG1 3.86Å; H198-V341 CarbonylContact O-C 3.5Å; H198-V341 VanDerWaalsContact O-CA 3.29Å; H198-V341 WeakPolarHBondContact O-CA 3.16Å; Q199-V341 HydrophobicContact CB-CG2 4.49Å; S263-V341 WeakPolarHBondContact CA-O 3.36Å; S263-V341 VanDerWaalsContact CB-O 3.29Å; S263-V341 WeakPolarHBondContact CB-O 3.3Å; S263-V341 PolarHBondContact N-O 2.9Å; S263-V341 PolarHBondContact O-N 3.5Å; V339-V341 HydrophobicContact CG1-CG2 4.32Å
342	F	94.4	Very high	89.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.9	-172.4	56.8	-88.1	0	0	0	112.8	L144 L197 H198 W257 L261 M262 L340 A344 W351 I366	L144-F342 HydrophobicContact CD1-CD1 3.86Å; L144-F342 HydrophobicContact CD1-CD2 4.24Å; L144-F342 HydrophobicContact CD1-CE1 3.76Å; L144-F342 HydrophobicContact CD1-CE2 4.14Å; L144-F342 HydrophobicContact CD1-CG 4.12Å; L144-F342 HydrophobicContact CD1-CZ 3.92Å; L197-F342 CarbonylContact C-O 3.55Å; H198-F342 HydrophobicContact CB-CD2 4.11Å; H198-F342 HydrophobicContact CB-CE1 4.18Å; H198-F342 HydrophobicContact CB-CE2 3.57Å; H198-F342 HydrophobicContact CB-CZ 3.59Å; H198-F342 PolarHBondContact N-O 2.92Å; H198-F342 PolarHBondContact O-N 2.69Å; W257-F342 HydrophobicContact CH2-CD2 4.44Å; W257-F342 HydrophobicContact CZ2-CB 4.38Å; W257-F342 AromaticContact CZ2-CD2 3.76Å; W257-F342 HydrophobicContact CZ2-CD2 3.76Å; W257-F342 HydrophobicContact CZ2-CG 4.38Å; L261-F342 CarbonylContact O-C 3.58Å; L261-F342 VanDerWaalsContact O-CA 3.23Å; L261-F342 WeakPolarHBondContact O-CA 3.33Å; M262-F342 HydrophobicContact CE-CB 3.6Å; M262-F342 HydrophobicContact CE-CD1 4.46Å; M262-F342 HydrophobicContact CE-CG 4.1Å; M262-F342 HydrophobicContact SD-CB 3.88Å; L340-F342 HydrophobicContact CB-CD1 4.11Å; L340-F342 HydrophobicContact CB-CE1 4.3Å; F342-A344 HydrophobicContact CD2-CB 4.47Å; F342-A344 HydrophobicContact CE2-CB 4.41Å; F342-W351 HydrophobicContact CE1-CH2 4.37Å; F342-W351 AromaticContact CZ-CH2 3.81Å; F342-W351 HydrophobicContact CZ-CH2 3.81Å; F342-W351 HydrophobicContact CZ-CZ2 4.23Å; F342-I366 HydrophobicContact CE2-CD1 3.39Å; F342-I366 HydrophobicContact CZ-CD1 3.31Å
343	E	92.3	Very high	89.9	Confident	9 Å²	9	34 Å²	34	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.6	169.9	-77.4	179.3	171.5	0	0	111.2	R195 T196 L197 W257 H259 G260 L261	R195-E343 IonicContact NH1-OE2 2.85Å; R195-E343 PolarHBondContact NH1-OE2 2.85Å; T196-E343 WeakPolarHBondContact O-CA 3.29Å; L197-E343 HydrophobicContact CD1-CG 3.98Å; W257-E343 VanDerWaalsContact CE2-O 3.29Å; W257-E343 WeakPolarHBondContact CZ2-O 3.29Å; W257-E343 PolarHBondContact NE1-O 2.97Å; H259-E343 WeakPolarHBondContact CB-O 3.37Å; G260-E343 WeakPolarHBondContact CA-OE2 3.45Å; L261-E343 HydrophobicContact CB-CG 3.97Å; L261-E343 PolarHBondContact N-OE2 3.13Å; L261-E343 PolarHBondContact O-N 3.02Å
344	A	92.2	Very high	90.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.3	173.7	0	0	0	0	0	110.2	R195 T196 F342 T346 M349	R195-A344 CarbonylContact C-O 3.5Å; R195-A344 WeakPolarHBondContact CA-O 3.4Å; T196-A344 PolarHBondContact N-O 3.05Å; T196-A344 PolarHBondContact O-N 2.61Å; T196-A344 PolarHBondContact OG1-O 2.91Å; F342-A344 HydrophobicContact CD2-CB 4.47Å; F342-A344 HydrophobicContact CE2-CB 4.41Å; A344-T346 PolarHBondContact O-N 2.86Å; A344-M349 HydrophobicContact CB-CE 4.25Å; A344-M349 HydrophobicContact CB-CG 4.49Å; A344-M349 HydrophobicContact CB-SD 3.29Å; A344-M349 WeakPolarHBondContact CB-SD 3.33Å
345	P	91.2	Very high	91.5	Very high	22 Å²	22	40.5 Å²	40.5	14%	0.143	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.2	176	-15.9	30.2	0	0	0	111.1	D194 H259 N347 K348 M349	D194-P345 CarbonylContact O-C 3.57Å; D194-P345 VanDerWaalsContact O-CA 3.3Å; D194-P345 WeakPolarHBondContact O-CA 3.43Å; H259-P345 WeakPolarHBondContact ND1-CG 3.26Å; P345-N347 PolarHBondContact O-N 3.46Å; P345-K348 HydrophobicContact CB-CB 4.08Å; P345-K348 HydrophobicContact CB-CD 3.84Å; P345-K348 HydrophobicContact CB-CG 4.24Å; P345-K348 PolarHBondContact O-N 3.22Å; P345-M349 VanDerWaalsContact CD-CE 3.46Å; P345-M349 HydrophobicContact CG-CE 4.37Å
346	T	86.9	Confident	92.8	Very high	38 Å²	38	42 Å²	42	23%	0.233	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	124.9	-175.7	-54.3	0	0	0	0	110.6	D194 R195 T196 A344 K348	D194-T346 VanDerWaalsContact C-OG1 3.27Å; D194-T346 PolarHBondContact O-N 3.34Å; D194-T346 PolarHBondContact O-OG1 3.18Å; R195-T346 PolarHBondContact N-OG1 3.43Å; T196-T346 HydrophobicContact CG2-CG2 3.97Å; T196-T346 WeakPolarHBondContact CG2-OG1 3.36Å; A344-T346 PolarHBondContact O-N 2.86Å; T346-K348 PolarHBondContact O-N 2.91Å
347	N	84.3	Confident	93.3	Very high	155 Å²	155	45.8 Å²	45.8	83%	0.829	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.7	177.8	-56.3	-34.6	0	0	0	116.6	P345	P345-N347 PolarHBondContact O-N 3.46Å
348	K	88.3	Confident	93.5	Very high	108 Å²	108	51.7 Å²	51.7	47%	0.47	26%	0.262	S	S	.	.	S	Bend	trans	-110.8	6.8	177.2	-56.3	178.7	-179.3	155.9	0	114	D194 P345 T346 C369	D194-K348 IonicContact OD2-NZ 3.38Å; D194-K348 PolarHBondContact OD2-NZ 2.74Å; P345-K348 HydrophobicContact CB-CB 4.08Å; P345-K348 HydrophobicContact CB-CD 3.84Å; P345-K348 HydrophobicContact CB-CG 4.24Å; P345-K348 PolarHBondContact O-N 3.22Å; T346-K348 PolarHBondContact O-N 2.91Å; K348-C369 PolarHBondContact O-N 3.2Å
349	M	90.2	Very high	93.6	Very high	29 Å²	29	51.9 Å²	51.9	14%	0.143	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.4	-177	-77.6	-173.7	177.2	0	0	111.2	W257 H259 A344 P345 I366 I367 C369	W257-M349 HydrophobicContact CH2-CE 4.01Å; H259-M349 WeakPolarHBondContact CD2-CE 3.3Å; H259-M349 WeakPolarHBondContact NE2-CE 3.29Å; A344-M349 HydrophobicContact CB-CE 4.25Å; A344-M349 HydrophobicContact CB-CG 4.49Å; A344-M349 HydrophobicContact CB-SD 3.29Å; A344-M349 WeakPolarHBondContact CB-SD 3.33Å; P345-M349 VanDerWaalsContact CD-CE 3.46Å; P345-M349 HydrophobicContact CG-CE 4.37Å; M349-I366 HydrophobicContact CB-CG2 3.67Å; M349-I366 HydrophobicContact CG-CG2 3.78Å; M349-I366 HydrophobicContact SD-CG2 3.61Å; M349-I367 WeakPolarHBondContact CA-O 3.21Å; M349-C369 VanDerWaalsContact C-SG 3.54Å
350	K	93.7	Very high	93.7	Very high	127 Å²	127	55.7 Å²	55.7	55%	0.552	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	179.2	-178.3	178.8	177	-175.3	0	110.6	I366 I367	K350-I366 WeakPolarHBondContact O-CA 3.29Å; K350-I367 HydrophobicContact CB-CG1 4.06Å; K350-I367 HydrophobicContact CD-CD1 4.44Å; K350-I367 PolarHBondContact N-O 3.41Å; K350-I367 PolarHBondContact O-N 3.43Å; K350-I367 VanDerWaalsContact O-N 3.1Å
351	W	95.8	Very high	93.7	Very high	60 Å²	60	56.5 Å²	56.5	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.8	169.9	-70.3	92.2	0	0	0	110.8	C155 G156 H198 Q199 C200 F342 V353 I365 I366	C155-W351 HydrophobicContact CB-CD2 4.46Å; C155-W351 HydrophobicContact CB-CE3 3.82Å; C155-W351 HydrophobicContact CB-CH2 3.8Å; C155-W351 HydrophobicContact CB-CZ2 4.42Å; C155-W351 HydrophobicContact CB-CZ3 3.47Å; C155-W351 VanDerWaalsContact CB-CZ3 3.47Å; G156-W351 VanDerWaalsContact N-CZ2 3.35Å; H198-W351 HydrophobicContact CB-CZ2 4.01Å; H198-W351 AromaticContact ND1-CE2 3.97Å; H198-W351 AromaticContact ND1-CZ2 3.62Å; H198-W351 AromaticContact ND1-NE1 3.69Å; Q199-W351 VanDerWaalsContact O-CH2 3.25Å; Q199-W351 WeakPolarHBondContact O-CH2 3.42Å; C200-W351 HydrophobicContact CB-CH2 4.18Å; C200-W351 HydrophobicContact CB-CZ3 4.16Å; F342-W351 HydrophobicContact CE1-CH2 4.37Å; F342-W351 AromaticContact CZ-CH2 3.81Å; F342-W351 HydrophobicContact CZ-CH2 3.81Å; F342-W351 HydrophobicContact CZ-CZ2 4.23Å; W351-V353 HydrophobicContact CE3-CG2 4.07Å; W351-I365 HydrophobicContact CE3-CG2 3.99Å; W351-I365 HydrophobicContact CZ3-CG2 3.61Å; W351-I366 HydrophobicContact CD2-CD1 4.27Å; W351-I366 HydrophobicContact CD2-CG1 4.06Å; W351-I366 HydrophobicContact CE3-CD1 4.21Å; W351-I366 HydrophobicContact CE3-CG1 3.9Å; W351-I366 HydrophobicContact CH2-CD1 3.97Å; W351-I366 HydrophobicContact CZ2-CD1 4.03Å; W351-I366 HydrophobicContact CZ3-CD1 4.05Å; W351-I366 HydrophobicContact CZ3-CG1 4.14Å
352	C	97	Very high	93.8	Very high	46 Å²	46	56.6 Å²	56.6	31%	0.311	29%	0.285	S	S	.	.			trans	-92.1	-7.5	173.8	-67	0	0	0	0	112.8	P364 I365	C352-P364 HydrophobicContact CB-CB 4.22Å; C352-P364 HydrophobicContact CB-CG 4.42Å; C352-P364 VanDerWaalsContact CB-O 3.29Å; C352-P364 WeakPolarHBondContact CB-O 3.18Å; C352-I365 PolarHBondContact N-O 3.3Å
353	V	97	Very high	94	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.042	30%	0.302	C	S	.	.			trans	-126.2	161.6	-175.4	-62.4	0	0	0	0	112.2	V152 W351 V359 I365	V152-V353 HydrophobicContact CG2-CB 4.26Å; V152-V353 HydrophobicContact CG2-CG2 4.24Å; W351-V353 HydrophobicContact CE3-CG2 4.07Å; V353-V359 HydrophobicContact CG1-CG1 3.69Å; V353-I365 HydrophobicContact CG1-CD1 3.82Å; V353-I365 HydrophobicContact CG2-CD1 3.98Å; V353-I365 HydrophobicContact CG2-CG2 4.01Å
354	K	95.9	Very high	94.3	Very high	155 Å²	155	61.6 Å²	61.6	67%	0.674	31%	0.312	S	S	*	.			trans	-132.6	155.1	176	-62.3	179.2	-176.1	176.3	0	110.7	G356 Q357	K354-G356 PolarHBondContact O-N 2.62Å; K354-Q357 WeakPolarHBondContact O-CB 3.49Å; K354-Q357 PolarHBondContact O-N 3.42Å
355	P	94.2	Very high	94.5	Very high	78 Å²	78	61.6 Å²	61.6	51%	0.506	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	136.7	171.4	-26.1	36.2	0	0	0	112.2	V152 Q357	V152-P355 CarbonylContact O-C 3.47Å; V152-P355 WeakPolarHBondContact O-CA 3.26Å; P355-Q357 VanDerWaalsContact C-N 3.33Å
356	G	93.1	Very high	94.8	Very high	49 Å²	49	60.6 Å²	60.6	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-8.5	-173.5	0	0	0	0	0	114.8	V152 K354	V152-G356 PolarHBondContact O-N 3.28Å; K354-G356 PolarHBondContact O-N 2.62Å
357	Q	96.5	Very high	95.2	Very high	79 Å²	79	61.2 Å²	61.2	37%	0.369	31%	0.307	S	S	.	.			trans	-76.9	137.8	177.7	-173.7	174	-22.9	0	0	111.1	V152 K354 P355	V152-Q357 PolarHBondContact N-O 2.81Å; K354-Q357 WeakPolarHBondContact O-CB 3.49Å; K354-Q357 PolarHBondContact O-N 3.42Å; P355-Q357 VanDerWaalsContact C-N 3.33Å
358	R	96.8	Very high	95.4	Very high	123 Å²	123	58.2 Å²	58.2	46%	0.464	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.8	169.7	-68.6	-74.1	-65.9	178.8	-0.5	109.7	G150 D208	G150-R358 CarbonylContact O-C 3.58Å; G150-R358 VanDerWaalsContact O-CA 3.3Å; G150-R358 WeakPolarHBondContact O-CA 3.49Å; G150-R358 WeakPolarHBondContact O-CD 3.2Å; D208-R358 IonicContact OD1-CZ 3.71Å; D208-R358 IonicContact OD1-NH1 3.2Å; D208-R358 PolarHBondContact OD1-NH1 2.9Å; D208-R358 IonicContact OD1-NH2 3.77Å; D208-R358 PolarHBondContact OD1-NH2 2.83Å; D208-R358 IonicContact OD2-CZ 3.53Å; D208-R358 IonicContact OD2-NH1 3.48Å; D208-R358 PolarHBondContact OD2-NH1 3.45Å; D208-R358 IonicContact OD2-NH2 3.15Å; D208-R358 PolarHBondContact OD2-NH2 2.7Å
359	V	97.6	Very high	95.2	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.9	178.6	-66.2	0	0	0	0	109.8	S146 D149 G150 V152 I202 V353 E363 I365	S146-V359 WeakPolarHBondContact OG-CG2 3.33Å; D149-V359 WeakPolarHBondContact CA-O 3.22Å; G150-V359 PolarHBondContact N-O 2.96Å; G150-V359 PolarHBondContact O-N 2.64Å; V152-V359 HydrophobicContact CG2-CG1 3.77Å; V152-V359 HydrophobicContact CG2-CG2 4.08Å; I202-V359 HydrophobicContact CD1-CG2 4.44Å; I202-V359 HydrophobicContact CG2-CG2 4.08Å; V353-V359 HydrophobicContact CG1-CG1 3.69Å; V359-E363 VanDerWaalsContact CA-OE2 3.31Å; V359-E363 WeakPolarHBondContact CA-OE2 3.48Å; V359-I365 HydrophobicContact CG1-CD1 4.18Å
360	K	97.5	Very high	95.5	Very high	80 Å²	80	61.3 Å²	61.3	35%	0.348	32%	0.322	S	S	.	.			trans	-106.4	153.1	169.2	-67.4	-174.2	175.8	-169.6	0	110.5	E111 S146 V148 D149 G362 E363	E111-K360 IonicContact OE1-NZ 3.18Å; E111-K360 PolarHBondContact OE1-NZ 2.96Å; E111-K360 IonicContact OE2-NZ 2.76Å; S146-K360 VanDerWaalsContact CB-O 3.27Å; S146-K360 WeakPolarHBondContact CB-O 3.37Å; V148-K360 CarbonylContact O-C 3.55Å; D149-K360 VanDerWaalsContact OD1-CA 3.25Å; D149-K360 WeakPolarHBondContact OD1-CA 3.36Å; K360-G362 PolarHBondContact O-N 2.99Å; K360-E363 HydrophobicContact CB-CG 4.14Å; K360-E363 PolarHBondContact N-OE2 2.97Å; K360-E363 WeakPolarHBondContact O-CB 3.39Å; K360-E363 PolarHBondContact O-N 3.44Å; K360-E363 VanDerWaalsContact O-N 3.14Å
361	L	97.9	Very high	95.6	Very high	18 Å²	18	57.8 Å²	57.8	9%	0.094	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	129.7	171.8	164.6	67.9	0	0	0	110.3	R136 I138 S146 V148 D149 H213	R136-L361 HydrophobicContact CB-CB 4.4Å; R136-L361 HydrophobicContact CB-CD2 4.1Å; R136-L361 HydrophobicContact CB-CG 4.22Å; R136-L361 HydrophobicContact CG-CB 4.21Å; R136-L361 HydrophobicContact CG-CD2 4.23Å; R136-L361 HydrophobicContact CG-CG 4.47Å; I138-L361 HydrophobicContact CD1-CD1 4.49Å; S146-L361 WeakPolarHBondContact O-CD1 3.42Å; V148-L361 PolarHBondContact O-N 2.9Å; D149-L361 PolarHBondContact OD1-N 3.09Å; H213-L361 HydrophobicContact CB-CD1 3.49Å; H213-L361 VanDerWaalsContact CB-CD1 3.49Å; H213-L361 VanDerWaalsContact CD2-CD2 3.49Å; H213-L361 WeakPolarHBondContact CD2-CD2 3.46Å; H213-L361 WeakPolarHBondContact NE2-CD2 3.28Å
362	G	97.8	Very high	95.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-12.1	178	0	0	0	0	0	115.6	H139 V145 S146 K360	H139-G362 WeakPolarHBondContact CB-O 3.42Å; H139-G362 PolarHBondContact N-O 3.48Å; V145-G362 WeakPolarHBondContact CG1-O 3.44Å; S146-G362 PolarHBondContact O-N 2.83Å; K360-G362 PolarHBondContact O-N 2.99Å
363	E	98.1	Very high	95.5	Very high	76 Å²	76	58.4 Å²	58.4	36%	0.355	32%	0.315	S	S	.	.			trans	-69.7	148.5	176.2	-71.1	-177.7	162.3	0	0	112.1	V145 S146 V359 K360 I365	V145-E363 CarbonylContact C-O 3.46Å; V145-E363 VanDerWaalsContact CA-O 3.24Å; V145-E363 WeakPolarHBondContact CA-O 3.5Å; V145-E363 WeakPolarHBondContact CB-O 3.47Å; S146-E363 PolarHBondContact N-O 3.14Å; V359-E363 VanDerWaalsContact CA-OE2 3.31Å; V359-E363 WeakPolarHBondContact CA-OE2 3.48Å; K360-E363 HydrophobicContact CB-CG 4.14Å; K360-E363 PolarHBondContact N-OE2 2.97Å; K360-E363 WeakPolarHBondContact O-CB 3.39Å; K360-E363 PolarHBondContact O-N 3.44Å; K360-E363 VanDerWaalsContact O-N 3.14Å; E363-I365 PolarHBondContact O-N 3.07Å
364	P	98	Very high	95.4	Very high	38 Å²	38	61.6 Å²	61.6	25%	0.247	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.7	-179	27.6	-35.7	0	0	0	112.1	A142 C352 I367	A142-P364 HydrophobicContact CB-CB 3.69Å; C352-P364 HydrophobicContact CB-CB 4.22Å; C352-P364 HydrophobicContact CB-CG 4.42Å; C352-P364 VanDerWaalsContact CB-O 3.29Å; C352-P364 WeakPolarHBondContact CB-O 3.18Å; P364-I367 HydrophobicContact CB-CG2 4.31Å
365	I	97.6	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-44.1	170.3	-61.2	-68.2	0	0	0	109.6	L144 W351 C352 V353 V359 E363	L144-I365 HydrophobicContact CD2-CB 3.53Å; L144-I365 HydrophobicContact CD2-CG1 3.89Å; L144-I365 HydrophobicContact CD2-CG2 3.72Å; L144-I365 PolarHBondContact O-N 3.46Å; W351-I365 HydrophobicContact CE3-CG2 3.99Å; W351-I365 HydrophobicContact CZ3-CG2 3.61Å; C352-I365 PolarHBondContact N-O 3.3Å; V353-I365 HydrophobicContact CG1-CD1 3.82Å; V353-I365 HydrophobicContact CG2-CD1 3.98Å; V353-I365 HydrophobicContact CG2-CG2 4.01Å; V359-I365 HydrophobicContact CG1-CD1 4.18Å; E363-I365 PolarHBondContact O-N 3.07Å
366	I	95.7	Very high	95.4	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.5	175.8	-70.8	169.9	0	0	0	110.1	A142 S143 L144 F342 M349 K350 W351	A142-I366 CarbonylContact C-O 3.52Å; S143-I366 PolarHBondContact N-O 3.05Å; L144-I366 HydrophobicContact CB-CB 4.15Å; L144-I366 PolarHBondContact N-O 3.11Å; L144-I366 PolarHBondContact O-N 3.21Å; L144-I366 VanDerWaalsContact O-N 3.11Å; F342-I366 HydrophobicContact CE2-CD1 3.39Å; F342-I366 HydrophobicContact CZ-CD1 3.31Å; M349-I366 HydrophobicContact CB-CG2 3.67Å; M349-I366 HydrophobicContact CG-CG2 3.78Å; M349-I366 HydrophobicContact SD-CG2 3.61Å; K350-I366 WeakPolarHBondContact O-CA 3.29Å; W351-I366 HydrophobicContact CD2-CD1 4.27Å; W351-I366 HydrophobicContact CD2-CG1 4.06Å; W351-I366 HydrophobicContact CE3-CD1 4.21Å; W351-I366 HydrophobicContact CE3-CG1 3.9Å; W351-I366 HydrophobicContact CH2-CD1 3.97Å; W351-I366 HydrophobicContact CZ2-CD1 4.03Å; W351-I366 HydrophobicContact CZ3-CD1 4.05Å; W351-I366 HydrophobicContact CZ3-CG1 4.14Å
367	I	95.2	Very high	95.6	Very high	52 Å²	52	54.2 Å²	54.2	27%	0.267	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.7	168.6	61.5	178.4	0	0	0	109.9	A142 M349 K350 P364	A142-I367 HydrophobicContact CB-CG2 3.88Å; M349-I367 WeakPolarHBondContact CA-O 3.21Å; K350-I367 HydrophobicContact CB-CG1 4.06Å; K350-I367 HydrophobicContact CD-CD1 4.44Å; K350-I367 PolarHBondContact N-O 3.41Å; K350-I367 PolarHBondContact O-N 3.43Å; K350-I367 VanDerWaalsContact O-N 3.1Å; P364-I367 HydrophobicContact CB-CG2 4.31Å
368	D	90.1	Very high	95.5	Very high	92 Å²	92	52.1 Å²	52.1	49%	0.492	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.5	169.2	-62.3	-26	0	0	0	110	S143	S143-D368 PolarHBondContact OG-N 2.88Å; S143-D368 VanDerWaalsContact OG-N 3.13Å; S143-D368 PolarHBondContact OG-OD1 3.39Å; S143-D368 PolarHBondContact OG-OD2 3.27Å
369	C	84.1	Confident	95.4	Very high	140 Å²	140	45.6 Å²	45.6	95%	0.946	25%	0.253	S	S	*	.			trans	-84.5	0	178.2	-72.8	0	0	0	0	113.2	K348 M349	K348-C369 PolarHBondContact O-N 3.2Å; M349-C369 VanDerWaalsContact C-SG 3.54Å

Retrieved 369 of 369 residues in 429.5 ms (Link to these results)

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