A0A087X4N6_POEFO Loading...

Leucine-rich repeat LGI family, member 2a

AlphaFold DB , UniProt , Accession A0A087X4N6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 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	33.4	Very low	41.4	Very low	241 Å²	241	151.9 Å²	151.9	100%	1.187	80%	0.802	S	S	*	*				0	109.3	0	-81.7	169.9	167.3	0	0	107.7
2	P	37.6	Very low	41.2	Very low	124 Å²	124	150.3 Å²	150.3	81%	0.805	81%	0.81	S	S	*	*			trans	-99.3	-161.3	-171	39.6	-28.1	0	0	0	110.5
3	P	47.6	Very low	41.5	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	81%	0.809	S	S	*	*				-130.9	-158.5	-80.8	40.7	-22.8	0	0	0	112.2
4	A	36.5	Very low	41.8	Very low	86 Å²	86	143.3 Å²	143.3	71%	0.711	79%	0.787	S	S	*	*			trans	100.5	133	157.7	0	0	0	0	0	117.2
5	L	38.5	Very low	41.9	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	79%	0.791	S	S	*	*			cis	-158.3	121.9	4.4	-139.1	84.5	0	0	0	108.3
6	R	45.3	Very low	41.7	Very low	235 Å²	235	143.8 Å²	143.8	89%	0.887	80%	0.797	S	S	*	*			trans	-69.3	164.4	146.8	-93.3	-177.3	172.3	-168.1	-1.4	107.7
7	I	46.9	Very low	41.8	Very low	143 Å²	143	140.8 Å²	140.8	73%	0.733	79%	0.788	S	S	*	*			trans	92.8	89.2	-179.9	-48.8	155.5	0	0	0	109.5
8	W	38.5	Very low	42	Very low	211 Å²	211	142.6 Å²	142.6	80%	0.799	80%	0.795	S	S	*	*				-171.3	57.1	123.1	-97.6	81.9	0	0	0	105.9	L11	W8-L11 HydrophobicContact CE3-CD1 4.27Å; W8-L11 HydrophobicContact CH2-CD1 4.16Å; W8-L11 HydrophobicContact CZ3-CB 4.43Å; W8-L11 HydrophobicContact CZ3-CD1 3.48Å; W8-L11 VanDerWaalsContact CZ3-CD1 3.48Å
9	A	45.1	Very low	41.9	Very low	82 Å²	82	141.4 Å²	141.4	68%	0.678	80%	0.796	S	S	*	*			trans	-62.9	147.9	146.4	0	0	0	0	0	107
10	L	44.4	Very low	41.8	Very low	156 Å²	156	143.3 Å²	143.3	82%	0.817	80%	0.798	S	S	*	*	S	Bend	trans	112	5.2	156.4	-60.2	143.7	0	0	0	120
11	L	41.8	Very low	41.7	Very low	121 Å²	121	142.1 Å²	142.1	63%	0.634	80%	0.797	S	S	*	*	S	Bend	trans	-124.2	-1.4	176.6	-96.6	155.8	0	0	0	118.4	W8	W8-L11 HydrophobicContact CE3-CD1 4.27Å; W8-L11 HydrophobicContact CH2-CD1 4.16Å; W8-L11 HydrophobicContact CZ3-CB 4.43Å; W8-L11 HydrophobicContact CZ3-CD1 3.48Å; W8-L11 VanDerWaalsContact CZ3-CD1 3.48Å
12	C	39	Very low	42	Very low	132 Å²	132	134.7 Å²	134.7	89%	0.892	77%	0.774	S	S	*	*	S	Bend	trans	-109.7	3.2	170.8	-75.4	0	0	0	0	114.6
13	V	44.5	Very low	42.2	Very low	132 Å²	132	136.8 Å²	136.8	80%	0.8	78%	0.777	S	S	*	*	S	Bend	trans	-104.6	-1.1	-179	-177	0	0	0	0	112.5
14	S	46	Very low	41.9	Very low	71 Å²	71	139 Å²	139	50%	0.497	78%	0.781	S	S	.	*	S	Bend	trans	-104.7	4.6	-176.6	62.4	0	0	0	0	116.4
15	L	43.2	Very low	42.4	Very low	163 Å²	163	144 Å²	144	85%	0.853	79%	0.787	S	S	*	*	S	Bend	trans	-123.7	9.6	179.6	-107.9	95.2	0	0	0	116.7
16	C	39.6	Very low	42.9	Very low	132 Å²	132	146.5 Å²	146.5	89%	0.892	79%	0.792	S	S	*	*	S	Bend	trans	-117.3	21	172.3	-89.3	0	0	0	0	113.7
17	S	42.6	Very low	43.2	Very low	92 Å²	92	139.2 Å²	139.2	64%	0.643	78%	0.781	S	S	*	*			trans	-101.5	15.6	179	39.3	0	0	0	0	114.6
18	L	44.9	Very low	44.1	Very low	173 Å²	173	137.4 Å²	137.4	91%	0.906	77%	0.768	S	S	*	*			trans	-128.2	61.3	174.4	-84.5	150.5	0	0	0	111
19	C	40.6	Very low	45.9	Very low	120 Å²	120	137.8 Å²	137.8	81%	0.811	77%	0.77	S	S	*	*			trans	-151	81.8	154.6	-132.6	0	0	0	0	107.5
20	Q	39.5	Very low	47.7	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	75%	0.753	S	S	*	*			trans	-58.4	128.4	158.9	-74.8	179	-24.1	0	0	106.5	A22	Q20-A22 PolarHBondContact O-N 3Å
21	P	39.7	Very low	49.6	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	73%	0.726	S	S	*	*			trans	-60.8	110.9	158.8	25.9	-27.9	0	0	0	104.8	L23	P21-L23 PolarHBondContact O-N 3.2Å
22	A	39.8	Very low	51.6	Low	85 Å²	85	131 Å²	131	70%	0.702	74%	0.739	S	S	*	*			trans	-50.8	111.5	163.6	0	0	0	0	0	105.5	Q20 L24	Q20-A22 PolarHBondContact O-N 3Å; A22-L24 PolarHBondContact O-N 2.97Å
23	L	42.4	Very low	53.9	Low	167 Å²	167	127.4 Å²	127.4	87%	0.874	71%	0.713	S	S	*	*			trans	-55	99.8	167.3	-107.2	126.9	0	0	0	105.1	P21 K25	P21-L23 PolarHBondContact O-N 3.2Å; L23-K25 PolarHBondContact O-N 3.41Å
24	L	41	Very low	56.1	Low	166 Å²	166	122 Å²	122	87%	0.869	68%	0.681	S	S	*	*			trans	-59.3	93	163.9	-98.2	125.1	0	0	0	105.3	A22 K26	A22-L24 PolarHBondContact O-N 2.97Å; L24-K26 PolarHBondContact O-N 2.65Å
25	K	47	Very low	58.2	Low	193 Å²	193	122.8 Å²	122.8	84%	0.839	69%	0.686	S	S	*	*			trans	-52	107.8	161.3	-77.1	-175	176	-175	0	104.8	L23 A27	L23-K25 PolarHBondContact O-N 3.41Å; K25-A27 PolarHBondContact O-N 3.2Å
26	K	48.3	Very low	60.4	Low	204 Å²	204	116.5 Å²	116.5	89%	0.887	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-47.9	117	170.6	-102.3	-179.9	176.3	175.8	0	106	L24 F28	L24-K26 PolarHBondContact O-N 2.65Å; K26-F28 PolarHBondContact O-N 3.42Å
27	A	52.9	Low	62.7	Low	81 Å²	81	113 Å²	113	67%	0.669	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55	119.6	-178.6	0	0	0	0	0	108.3	K25 R29	K25-A27 PolarHBondContact O-N 3.2Å; A27-R29 PolarHBondContact O-N 3.07Å; A27-R29 VanDerWaalsContact O-N 3.12Å
28	F	66.1	Low	64.7	Low	105 Å²	105	116.9 Å²	116.9	46%	0.461	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-51.6	116.3	172.6	173.2	-93.9	0	0	0	108.5	K26 C30 C36 I52 P54	K26-F28 PolarHBondContact O-N 3.42Å; F28-C30 HydrophobicContact CE1-CB 4.3Å; F28-C36 HydrophobicContact CE1-CB 3.87Å; F28-C36 HydrophobicContact CZ-CB 3.53Å; F28-I52 HydrophobicContact CD2-CG2 3.75Å; F28-I52 HydrophobicContact CE2-CG2 3.64Å; F28-P54 HydrophobicContact CD2-CG 4.15Å; F28-P54 HydrophobicContact CE2-CG 3.77Å
29	R	74.6	Confident	66.7	Low	220 Å²	220	114.5 Å²	114.5	83%	0.83	62%	0.622	S	S	*	*			trans	-116.4	111.5	172	-74.2	-173	-178.4	-177.7	0.6	107.7	A27	A27-R29 PolarHBondContact O-N 3.07Å; A27-R29 VanDerWaalsContact O-N 3.12Å
30	C	82.8	Confident	69.2	Low	48 Å²	48	110.4 Å²	110.4	32%	0.324	60%	0.595	S	S	.	*			trans	-62.2	132	173	-169.2	0	0	0	0	109.2	F28 C34 C36	F28-C30 HydrophobicContact CE1-CB 4.3Å; C30-C34 PolarHBondContact SG-O 3.29Å; C30-C36 VanDerWaalsContact CA-SG 3.58Å; C30-C36 HydrophobicContact CB-CB 3.74Å; C30-C36 WeakPolarHBondContact CB-SG 2.95Å; C30-C36 WeakPolarHBondContact SG-CB 3.26Å; C30-C36 PolarHBondContact SG-N 3.44Å; C30-C36 CovalentContact SG-SG 2.04Å; C30-C36 PolarHBondContact SG-SG 2.81Å
31	P	84.6	Confident	71.7	Confident	38 Å²	38	101.8 Å²	101.8	25%	0.247	56%	0.555	C	S	.	*			trans	-57.8	148.8	175.3	-22.5	31.1	0	0	0	111.4	T33 C34 P50 I52	P31-T33 PolarHBondContact O-N 3.38Å; P31-C34 HydrophobicContact CB-CB 4.18Å; P31-C34 HydrophobicContact CG-CB 4.33Å; P31-C34 PolarHBondContact O-N 2.85Å; P31-P50 HydrophobicContact CG-CB 3.91Å; P31-I52 VanDerWaalsContact CD-CD1 3.43Å; P31-I52 HydrophobicContact CG-CD1 3.85Å; P31-I52 HydrophobicContact CG-CG1 4.44Å
32	S	84.8	Confident	74.2	Confident	130 Å²	130	99.8 Å²	99.8	91%	0.909	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.9	-177.3	53.5	0	0	0	0	114.2	C34	S32-C34 VanDerWaalsContact C-N 3.33Å
33	T	87.6	Confident	76.7	Confident	57 Å²	57	95.7 Å²	95.7	35%	0.35	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3	176.3	51.5	0	0	0	0	112.9	P31 C43 V44	P31-T33 PolarHBondContact O-N 3.38Å; T33-C43 WeakPolarHBondContact O-CA 3.17Å; T33-V44 PolarHBondContact O-N 2.9Å
34	C	89.7	Confident	79.1	Confident	18 Å²	18	91.9 Å²	91.9	12%	0.122	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.7	-175.6	-50.7	0	0	0	0	111.6	C30 P31 S32 I41 I42 C43	C30-C34 PolarHBondContact SG-O 3.29Å; P31-C34 HydrophobicContact CB-CB 4.18Å; P31-C34 HydrophobicContact CG-CB 4.33Å; P31-C34 PolarHBondContact O-N 2.85Å; S32-C34 VanDerWaalsContact C-N 3.33Å; C34-I41 HydrophobicContact CB-CG2 4.16Å; C34-I42 CarbonylContact C-O 3.47Å; C34-I42 VanDerWaalsContact CA-O 3.23Å; C34-I42 WeakPolarHBondContact CA-O 3.31Å; C34-C43 HydrophobicContact CB-CB 4.07Å; C34-C43 WeakPolarHBondContact CB-SG 3.18Å; C34-C43 WeakPolarHBondContact SG-CB 3.29Å; C34-C43 CovalentContact SG-SG 2.04Å; C34-C43 PolarHBondContact SG-SG 2.93Å
35	S	90.6	Very high	81.3	Confident	87 Å²	87	85.8 Å²	85.8	61%	0.608	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.5	165.8	-176.4	0	0	0	0	107.6	I42	S35-I42 PolarHBondContact N-O 3.25Å; S35-I42 PolarHBondContact O-N 2.92Å
36	C	89.4	Confident	83.1	Confident	32 Å²	32	77.1 Å²	77.1	22%	0.216	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.4	-176.4	-47.9	0	0	0	0	111	F28 C30 I41	F28-C36 HydrophobicContact CE1-CB 3.87Å; F28-C36 HydrophobicContact CZ-CB 3.53Å; C30-C36 VanDerWaalsContact CA-SG 3.58Å; C30-C36 HydrophobicContact CB-CB 3.74Å; C30-C36 WeakPolarHBondContact CB-SG 2.95Å; C30-C36 WeakPolarHBondContact SG-CB 3.26Å; C30-C36 PolarHBondContact SG-N 3.44Å; C30-C36 CovalentContact SG-SG 2.04Å; C30-C36 PolarHBondContact SG-SG 2.81Å; C36-I41 HydrophobicContact CB-CG1 4.32Å
37	S	87.7	Confident	84.6	Confident	57 Å²	57	70.3 Å²	70.3	40%	0.399	41%	0.405	S	S	.	.			trans	-105.3	-169.8	168.3	82.7	0	0	0	0	110.1	E39 S40	S37-E39 VanDerWaalsContact C-N 3.33Å; S37-E39 PolarHBondContact OG-N 3.35Å; S37-S40 PolarHBondContact N-O 3.03Å; S37-S40 PolarHBondContact OG-N 2.72Å; S37-S40 PolarHBondContact OG-O 2.99Å; S37-S40 PolarHBondContact OG-OG 2.99Å
38	K	83.8	Confident	85.8	Confident	174 Å²	174	72.4 Å²	72.4	76%	0.757	41%	0.405	S	S	*	.	S	Bend	trans	-67.4	-34.3	175.4	-69.9	-174.8	177.8	-178.2	0	112.7
39	E	88.7	Confident	86.6	Confident	124 Å²	124	68.6 Å²	68.6	58%	0.579	39%	0.389	S	S	*	.	S	Bend	trans	-119.7	-15.2	-170.1	-68.5	170.4	-165	0	0	112.3	S37 T58 S59	S37-E39 VanDerWaalsContact C-N 3.33Å; S37-E39 PolarHBondContact OG-N 3.35Å; E39-T58 PolarHBondContact O-N 2.86Å; E39-T58 PolarHBondContact O-OG1 3.12Å; E39-S59 PolarHBondContact O-N 3.05Å
40	S	91.8	Very high	86.8	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.7	-174.1	69	0	0	0	0	114	S37 S59	S37-S40 PolarHBondContact N-O 3.03Å; S37-S40 PolarHBondContact OG-N 2.72Å; S37-S40 PolarHBondContact OG-O 2.99Å; S37-S40 PolarHBondContact OG-OG 2.99Å; S40-S59 CarbonylContact C-O 3.48Å; S40-S59 VanDerWaalsContact CA-O 3.26Å; S40-S59 WeakPolarHBondContact CA-O 3Å
41	I	92.4	Very high	86.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124	172.2	-62.4	167.7	0	0	0	108.2	C34 C36 P50 I52 I57 S59 L60 S61	C34-I41 HydrophobicContact CB-CG2 4.16Å; C36-I41 HydrophobicContact CB-CG1 4.32Å; I41-P50 HydrophobicContact CG2-CG 4.32Å; I41-I52 HydrophobicContact CD1-CD1 4.03Å; I41-I57 HydrophobicContact CD1-CD1 4.04Å; I41-I57 HydrophobicContact CD1-CG1 3.86Å; I41-I57 HydrophobicContact CD1-CG2 4.18Å; I41-I57 HydrophobicContact CG1-CD1 3.95Å; I41-I57 HydrophobicContact CG1-CG1 4.29Å; I41-I57 HydrophobicContact CG1-CG2 4.36Å; I41-S59 PolarHBondContact N-O 3.43Å; I41-L60 HydrophobicContact CB-CD1 3.86Å; I41-L60 HydrophobicContact CG2-CD1 3.83Å; I41-L60 WeakPolarHBondContact O-CA 3.19Å; I41-S61 PolarHBondContact O-N 3.32Å
42	I	93	Very high	85.7	Confident	76 Å²	76	67 Å²	67	39%	0.39	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.6	176.5	-56.1	174.7	0	0	0	108.4	C34 S35 S61	C34-I42 CarbonylContact C-O 3.47Å; C34-I42 VanDerWaalsContact CA-O 3.23Å; C34-I42 WeakPolarHBondContact CA-O 3.31Å; S35-I42 PolarHBondContact N-O 3.25Å; S35-I42 PolarHBondContact O-N 2.92Å; I42-S61 CarbonylContact C-O 3.31Å; I42-S61 WeakPolarHBondContact CA-O 3.08Å
43	C	92.3	Very high	84.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.1	178.3	-61.4	0	0	0	0	110.6	T33 C34 S61 I62 V63	T33-C43 WeakPolarHBondContact O-CA 3.17Å; C34-C43 HydrophobicContact CB-CB 4.07Å; C34-C43 WeakPolarHBondContact CB-SG 3.18Å; C34-C43 WeakPolarHBondContact SG-CB 3.29Å; C34-C43 CovalentContact SG-SG 2.04Å; C34-C43 PolarHBondContact SG-SG 2.93Å; C43-S61 PolarHBondContact N-O 2.78Å; C43-I62 HydrophobicContact CB-CG1 4.35Å; C43-I62 HydrophobicContact CB-CG2 4.44Å; C43-I62 WeakPolarHBondContact O-CA 3.28Å; C43-V63 PolarHBondContact O-N 3.42Å
44	V	91.9	Very high	83.8	Confident	87 Å²	87	63.4 Å²	63.4	53%	0.527	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	176.2	-175.2	0	0	0	0	108.9	T33 S46 V63	T33-V44 PolarHBondContact O-N 2.9Å; V44-S46 VanDerWaalsContact C-N 3.28Å; V44-S46 PolarHBondContact O-N 3.47Å; V44-V63 CarbonylContact C-O 3.49Å; V44-V63 VanDerWaalsContact CA-O 3.3Å; V44-V63 WeakPolarHBondContact CA-O 3.44Å
45	G	86.6	Confident	82.7	Confident	37 Å²	37	68.7 Å²	68.7	38%	0.381	38%	0.377	S	S	.	.	S	Bend	trans	74.5	15.1	179.9	0	0	0	0	0	114.5	V63 N64	G45-V63 PolarHBondContact N-O 3.21Å; G45-N64 VanDerWaalsContact CA-O 3.3Å; G45-N64 WeakPolarHBondContact CA-O 3.34Å
46	S	84.6	Confident	82.1	Confident	12 Å²	12	71.1 Å²	71.1	8%	0.084	38%	0.379	C	S	.	.			trans	-77.5	131.9	-179.4	-164	0	0	0	0	111.9	V44 N48 G65 T66	V44-S46 VanDerWaalsContact C-N 3.28Å; V44-S46 PolarHBondContact O-N 3.47Å; S46-N48 PolarHBondContact OG-O 2.67Å; S46-G65 WeakPolarHBondContact O-CA 3.5Å; S46-T66 PolarHBondContact O-N 2.76Å
47	S	81.4	Confident	82.1	Confident	61 Å²	61	69.7 Å²	69.7	43%	0.427	37%	0.369	S	S	.	.	S	Bend	trans	-89.9	-8	175.2	-50.2	0	0	0	0	113.4	T66	S47-T66 WeakPolarHBondContact CA-OG1 3.47Å; S47-T66 WeakPolarHBondContact CB-OG1 3.36Å; S47-T66 PolarHBondContact OG-OG1 3.33Å
48	N	78.3	Confident	82.3	Confident	124 Å²	124	68.9 Å²	68.9	66%	0.663	36%	0.362	S	S	*	.	S	Bend	trans	-139.5	154.8	-179.2	-68.7	-64.5	0	0	0	110.5	S46	S46-N48 PolarHBondContact OG-O 2.67Å
49	I	81.7	Confident	82.9	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.128	34%	0.335	C	S	.	.			trans	-72	132.7	171.6	-70.7	162.6	0	0	0	109	R51 I62 M74 F75	I49-R51 PolarHBondContact O-N 2.65Å; I49-R51 VanDerWaalsContact O-N 3.07Å; I49-I62 HydrophobicContact CG1-CD1 3.93Å; I49-M74 HydrophobicContact CD1-CB 4.5Å; I49-M74 HydrophobicContact CD1-CE 4.34Å; I49-M74 HydrophobicContact CD1-CG 3.21Å; I49-M74 HydrophobicContact CD1-SD 3.14Å; I49-M74 WeakPolarHBondContact CD1-SD 3.38Å; I49-F75 HydrophobicContact CD1-CD1 4.26Å; I49-F75 HydrophobicContact CD1-CE1 3.53Å; I49-F75 HydrophobicContact CD1-CE2 4.39Å; I49-F75 HydrophobicContact CD1-CZ 3.61Å; I49-F75 HydrophobicContact CG1-CE1 4.05Å; I49-F75 HydrophobicContact CG1-CZ 4.44Å; I49-F75 HydrophobicContact CG2-CD1 4.31Å; I49-F75 HydrophobicContact CG2-CE1 4.24Å
50	P	78.9	Confident	83.1	Confident	8 Å²	8	56 Å²	56	5%	0.052	31%	0.307	C	S	.	.			trans	-61.6	113	179.9	26.1	-35.3	0	0	0	109.9	P31 I41 I52 L60 H77	P31-P50 HydrophobicContact CG-CB 3.91Å; I41-P50 HydrophobicContact CG2-CG 4.32Å; P50-I52 HydrophobicContact CB-CD1 3.79Å; P50-I52 HydrophobicContact CB-CG1 3.92Å; P50-I52 PolarHBondContact O-N 2.71Å; P50-L60 HydrophobicContact CG-CD1 4.09Å; P50-H77 PolarHBondContact O-NE2 2.86Å
51	R	73.4	Confident	83.3	Confident	245 Å²	245	55.1 Å²	55.1	93%	0.925	30%	0.301	S	S	*	.			trans	-75.3	72.5	174.6	-66.1	-174.1	-176.9	-171	0.8	110	I49	I49-R51 PolarHBondContact O-N 2.65Å; I49-R51 VanDerWaalsContact O-N 3.07Å
52	I	71.7	Confident	83.3	Confident	20 Å²	20	55.1 Å²	55.1	10%	0.103	30%	0.301	C	S	.	.			trans	-124.1	132.1	-179.8	-45	172	0	0	0	106.9	F28 P31 I41 P50 P54 H77	F28-I52 HydrophobicContact CD2-CG2 3.75Å; F28-I52 HydrophobicContact CE2-CG2 3.64Å; P31-I52 VanDerWaalsContact CD-CD1 3.43Å; P31-I52 HydrophobicContact CG-CD1 3.85Å; P31-I52 HydrophobicContact CG-CG1 4.44Å; I41-I52 HydrophobicContact CD1-CD1 4.03Å; P50-I52 HydrophobicContact CB-CD1 3.79Å; P50-I52 HydrophobicContact CB-CG1 3.92Å; P50-I52 PolarHBondContact O-N 2.71Å; I52-P54 VanDerWaalsContact C-CD 3.4Å; I52-P54 HydrophobicContact CB-CG 4.4Å; I52-P54 HydrophobicContact CG2-CG 3.57Å; I52-P54 WeakPolarHBondContact O-CD 3.07Å; I52-H77 PolarHBondContact O-CD2 2.87Å
53	S	65.4	Low	83.3	Confident	85 Å²	85	53.2 Å²	53.2	59%	0.594	29%	0.293	S	S	*	.			trans	-116	75.9	174.8	-168.8	0	0	0	0	110.6	H77	S53-H77 PolarHBondContact OG-O 2.81Å
54	P	66.1	Low	83.3	Confident	26 Å²	26	57.8 Å²	57.8	17%	0.169	32%	0.317	C	S	.	.			trans	-88.4	128.2	165.3	1.1	22.1	0	0	0	108	F28 I52 E56 I57	F28-P54 HydrophobicContact CD2-CG 4.15Å; F28-P54 HydrophobicContact CE2-CG 3.77Å; I52-P54 VanDerWaalsContact C-CD 3.4Å; I52-P54 HydrophobicContact CB-CG 4.4Å; I52-P54 HydrophobicContact CG2-CG 3.57Å; I52-P54 WeakPolarHBondContact O-CD 3.07Å; P54-E56 PolarHBondContact O-N 3.26Å; P54-I57 HydrophobicContact CB-CD1 4.41Å; P54-I57 HydrophobicContact CB-CG1 3.82Å; P54-I57 HydrophobicContact CG-CD1 4.16Å; P54-I57 HydrophobicContact CG-CG1 3.47Å; P54-I57 VanDerWaalsContact CG-CG1 3.47Å
55	N	66.8	Low	83	Confident	129 Å²	129	53.8 Å²	53.8	69%	0.69	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	14.1	179.1	-66.7	-5.9	0	0	0	113.8
56	E	78.1	Confident	83	Confident	139 Å²	139	56.2 Å²	56.2	65%	0.65	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	0.8	-169.1	-65.1	176.5	-168.1	0	0	113.2	P54 T58	P54-E56 PolarHBondContact O-N 3.26Å; E56-T58 PolarHBondContact O-N 3.46Å
57	I	88.8	Confident	83	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.302	C	S	.	.			trans	-78.3	124.8	177.3	-60.4	-59.5	0	0	0	109.7	I41 P54 S59 T80 L81	I41-I57 HydrophobicContact CD1-CD1 4.04Å; I41-I57 HydrophobicContact CD1-CG1 3.86Å; I41-I57 HydrophobicContact CD1-CG2 4.18Å; I41-I57 HydrophobicContact CG1-CD1 3.95Å; I41-I57 HydrophobicContact CG1-CG1 4.29Å; I41-I57 HydrophobicContact CG1-CG2 4.36Å; P54-I57 HydrophobicContact CB-CD1 4.41Å; P54-I57 HydrophobicContact CB-CG1 3.82Å; P54-I57 HydrophobicContact CG-CD1 4.16Å; P54-I57 HydrophobicContact CG-CG1 3.47Å; P54-I57 VanDerWaalsContact CG-CG1 3.47Å; I57-S59 WeakPolarHBondContact CG2-O 3.06Å; I57-T80 CarbonylContact O-C 3.55Å; I57-T80 PolarHBondContact O-OG1 2.87Å; I57-L81 HydrophobicContact CG2-CD1 4.1Å
58	T	93.1	Very high	83.3	Confident	41 Å²	41	56.6 Å²	56.6	25%	0.252	30%	0.302	S	S	.	.			trans	-107	-21.1	177	58.4	0	0	0	0	111.8	E39 E56 Q82 L83	E39-T58 PolarHBondContact O-N 2.86Å; E39-T58 PolarHBondContact O-OG1 3.12Å; E56-T58 PolarHBondContact O-N 3.46Å; T58-Q82 PolarHBondContact O-N 2.86Å; T58-L83 PolarHBondContact O-N 2.81Å
59	S	95.3	Very high	84	Confident	26 Å²	26	53 Å²	53	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.8	-176.5	179.4	0	0	0	0	113.4	E39 S40 I41 I57 L83	E39-S59 PolarHBondContact O-N 3.05Å; S40-S59 CarbonylContact C-O 3.48Å; S40-S59 VanDerWaalsContact CA-O 3.26Å; S40-S59 WeakPolarHBondContact CA-O 3Å; I41-S59 PolarHBondContact N-O 3.43Å; I57-S59 WeakPolarHBondContact CG2-O 3.06Å; S59-L83 WeakPolarHBondContact CA-O 3.44Å
60	L	94.1	Very high	84.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.1	173.6	174.9	63.3	0	0	0	110.4	I41 P50 I62 F75 M78 L81 L83 L84 L85	I41-L60 HydrophobicContact CB-CD1 3.86Å; I41-L60 HydrophobicContact CG2-CD1 3.83Å; I41-L60 WeakPolarHBondContact O-CA 3.19Å; P50-L60 HydrophobicContact CG-CD1 4.09Å; L60-I62 HydrophobicContact CD1-CG1 4.2Å; L60-I62 HydrophobicContact CD2-CD1 4.4Å; L60-I62 HydrophobicContact CG-CG1 4.29Å; L60-F75 HydrophobicContact CD2-CD1 3.96Å; L60-F75 HydrophobicContact CD2-CE1 3.91Å; L60-M78 HydrophobicContact CD2-CE 3.58Å; L60-M78 HydrophobicContact CD2-SD 4.21Å; L60-L81 HydrophobicContact CB-CD1 3.76Å; L60-L81 HydrophobicContact CB-CD2 4.33Å; L60-L83 PolarHBondContact N-O 3.01Å; L60-L84 HydrophobicContact CB-CD1 4.04Å; L60-L84 HydrophobicContact CD2-CD1 3.88Å; L60-L84 HydrophobicContact CG-CD1 3.97Å; L60-L84 WeakPolarHBondContact O-CA 3.49Å; L60-L85 PolarHBondContact O-N 2.98Å
61	S	94.8	Very high	85.2	Confident	15 Å²	15	58.2 Å²	58.2	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.1	175.6	-61.9	0	0	0	0	110.4	I41 I42 C43 L85	I41-S61 PolarHBondContact O-N 3.32Å; I42-S61 CarbonylContact C-O 3.31Å; I42-S61 WeakPolarHBondContact CA-O 3.08Å; C43-S61 PolarHBondContact N-O 2.78Å; S61-L85 CarbonylContact C-O 3.5Å; S61-L85 WeakPolarHBondContact CA-O 3.41Å
62	I	93.3	Very high	86.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115	174.4	-51.1	178.3	0	0	0	108.6	C43 I49 L60 F67 L85 L86 N87 N89	C43-I62 HydrophobicContact CB-CG1 4.35Å; C43-I62 HydrophobicContact CB-CG2 4.44Å; C43-I62 WeakPolarHBondContact O-CA 3.28Å; I49-I62 HydrophobicContact CG1-CD1 3.93Å; L60-I62 HydrophobicContact CD1-CG1 4.2Å; L60-I62 HydrophobicContact CD2-CD1 4.4Å; L60-I62 HydrophobicContact CG-CG1 4.29Å; I62-F67 HydrophobicContact CB-CE1 4.37Å; I62-F67 HydrophobicContact CG2-CE1 3.62Å; I62-F67 HydrophobicContact CG2-CZ 4.31Å; I62-L85 PolarHBondContact N-O 2.77Å; I62-L86 HydrophobicContact CB-CD2 4.13Å; I62-L86 HydrophobicContact CD1-CD2 4.1Å; I62-L86 HydrophobicContact CG1-CD2 4.26Å; I62-N87 PolarHBondContact O-N 3.18Å; I62-N87 VanDerWaalsContact O-N 3.07Å; I62-N89 PolarHBondContact O-ND2 3.24Å; I62-N89 VanDerWaalsContact O-ND2 3.15Å
63	V	93.7	Very high	87.3	Confident	36 Å²	36	54 Å²	54	22%	0.218	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.7	-173.7	-172.8	0	0	0	0	110.4	C43 V44 G45 G65 N87	C43-V63 PolarHBondContact O-N 3.42Å; V44-V63 CarbonylContact C-O 3.49Å; V44-V63 VanDerWaalsContact CA-O 3.3Å; V44-V63 WeakPolarHBondContact CA-O 3.44Å; G45-V63 PolarHBondContact N-O 3.21Å; V63-G65 PolarHBondContact O-N 3.44Å; V63-G65 VanDerWaalsContact O-N 3.15Å; V63-N87 WeakPolarHBondContact CA-O 3.33Å
64	N	90.7	Very high	88.6	Confident	96 Å²	96	52.4 Å²	52.4	51%	0.513	28%	0.278	S	S	.	.	S	Bend	trans	55.8	29.6	177.4	-65.9	-12.5	0	0	0	114.1	G45 N87 S88	G45-N64 VanDerWaalsContact CA-O 3.3Å; G45-N64 WeakPolarHBondContact CA-O 3.34Å; N64-N87 PolarHBondContact N-O 3.16Å; N64-S88 WeakPolarHBondContact CA-O 3.38Å; N64-S88 VanDerWaalsContact OD1-CB 3.23Å; N64-S88 WeakPolarHBondContact OD1-CB 3.46Å
65	G	86.6	Confident	89.8	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.031	27%	0.27	C	S	.	.			trans	-80.4	168.7	175.4	0	0	0	0	0	113.3	S46 V63 N89	S46-G65 WeakPolarHBondContact O-CA 3.5Å; V63-G65 PolarHBondContact O-N 3.44Å; V63-G65 VanDerWaalsContact O-N 3.15Å; G65-N89 WeakPolarHBondContact CA-OD1 3.48Å; G65-N89 PolarHBondContact N-OD1 3.14Å; G65-N89 WeakPolarHBondContact O-CA 3.49Å
66	T	85.4	Confident	90.9	Very high	88 Å²	88	47.1 Å²	47.1	54%	0.54	26%	0.255	S	S	.	.			trans	-113.6	4.8	-175	58.8	0	0	0	0	114.6	S46 S47	S46-T66 PolarHBondContact O-N 2.76Å; S47-T66 WeakPolarHBondContact CA-OG1 3.47Å; S47-T66 WeakPolarHBondContact CB-OG1 3.36Å; S47-T66 PolarHBondContact OG-OG1 3.33Å
67	F	84.9	Confident	91.4	Very high	21 Å²	21	43 Å²	43	9%	0.092	24%	0.236	C	C	.	.			trans	-70.8	138.8	175.9	66.1	-74.6	0	0	0	110.4	I62 V70 L86 N89 S90 L91	I62-F67 HydrophobicContact CB-CE1 4.37Å; I62-F67 HydrophobicContact CG2-CE1 3.62Å; I62-F67 HydrophobicContact CG2-CZ 4.31Å; F67-V70 HydrophobicContact CE2-CG2 4.34Å; F67-L86 HydrophobicContact CZ-CD2 4.09Å; F67-N89 HydrophobicContact CE1-CB 3.97Å; F67-N89 WeakPolarHBondContact CE1-OD1 3.2Å; F67-N89 HydrophobicContact CZ-CB 4.21Å; F67-S90 CarbonylContact O-C 3.55Å; F67-L91 HydrophobicContact CD2-CD2 3.43Å; F67-L91 VanDerWaalsContact CD2-CD2 3.43Å; F67-L91 HydrophobicContact CD2-CG 4.13Å; F67-L91 HydrophobicContact CE2-CD1 3.73Å; F67-L91 HydrophobicContact CE2-CD2 3.37Å; F67-L91 HydrophobicContact CE2-CG 3.71Å; F67-L91 HydrophobicContact CG-CD2 4.43Å; F67-L91 HydrophobicContact CZ-CD1 4.02Å; F67-L91 HydrophobicContact CZ-CD2 4.29Å; F67-L91 HydrophobicContact CZ-CG 4.17Å
68	S	89.2	Confident	91.5	Very high	61 Å²	61	43 Å²	43	43%	0.427	24%	0.236	S	C	.	.			trans	-101.1	-16.1	-173.5	55.1	0	0	0	0	114	S90 L91 T92 T93	S68-S90 WeakPolarHBondContact CA-O 3.46Å; S68-L91 WeakPolarHBondContact O-CA 3.46Å; S68-T92 PolarHBondContact O-N 3.1Å; S68-T92 PolarHBondContact O-OG1 2.83Å; S68-T93 PolarHBondContact O-N 2.87Å
69	E	91.4	Very high	91.4	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.8	-176.6	65	179.7	166	0	0	113.4	R71 T93	E69-R71 HydrophobicContact CG-CG 4.1Å; E69-R71 IonicContact OE1-CZ 3.58Å; E69-R71 IonicContact OE1-NE 2.73Å; E69-R71 PolarHBondContact OE1-NE 3.03Å; E69-R71 IonicContact OE1-NH2 3.75Å; E69-R71 PolarHBondContact OE1-NH2 2.92Å; E69-R71 IonicContact OE2-NE 3.27Å; E69-T93 VanDerWaalsContact CA-O 3.29Å; E69-T93 WeakPolarHBondContact CA-O 3.3Å
70	V	93.7	Very high	91.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.2	163.7	-171.2	0	0	0	0	108.4	F67 M74 F75 L86 L91 T93 V94 R95 A98 F99	F67-V70 HydrophobicContact CE2-CG2 4.34Å; V70-M74 HydrophobicContact CB-SD 4.28Å; V70-M74 HydrophobicContact CG1-CB 4.35Å; V70-M74 HydrophobicContact CG1-SD 3.81Å; V70-F75 HydrophobicContact CG1-CD2 4.4Å; V70-F75 HydrophobicContact CG1-CE2 3.58Å; V70-F75 HydrophobicContact CG1-CZ 4.36Å; V70-L86 HydrophobicContact CG2-CD1 4.08Å; V70-L91 HydrophobicContact CG2-CD1 4.2Å; V70-L91 HydrophobicContact CG2-CD2 3.9Å; V70-T93 PolarHBondContact N-O 2.82Å; V70-V94 HydrophobicContact CB-CG1 4.4Å; V70-V94 HydrophobicContact CG2-CG2 4.47Å; V70-R95 WeakPolarHBondContact O-CB 3.27Å; V70-R95 PolarHBondContact O-N 2.94Å; V70-A98 HydrophobicContact CB-CB 4.29Å; V70-A98 HydrophobicContact CG1-CB 3.73Å; V70-F99 HydrophobicContact CG1-CE1 4.25Å; V70-F99 HydrophobicContact CG1-CZ 4.4Å
71	R	93.6	Very high	91.3	Very high	144 Å²	144	44.7 Å²	44.7	54%	0.543	25%	0.246	S	C	.	.			trans	-94.2	169.3	-178.4	-58.2	-178.6	-179.7	-179.5	0.1	111.3	E69 A73 M74 A98	E69-R71 HydrophobicContact CG-CG 4.1Å; E69-R71 IonicContact OE1-CZ 3.58Å; E69-R71 IonicContact OE1-NE 2.73Å; E69-R71 PolarHBondContact OE1-NE 3.03Å; E69-R71 IonicContact OE1-NH2 3.75Å; E69-R71 PolarHBondContact OE1-NH2 2.92Å; E69-R71 IonicContact OE2-NE 3.27Å; R71-A73 PolarHBondContact O-N 2.89Å; R71-M74 HydrophobicContact CB-CE 3.84Å; R71-M74 HydrophobicContact CG-CE 3.8Å; R71-M74 WeakPolarHBondContact O-CB 3.26Å; R71-M74 PolarHBondContact O-N 2.97Å; R71-A98 VanDerWaalsContact O-CA 3.31Å; R71-A98 WeakPolarHBondContact O-CA 3.24Å
72	E	95.3	Very high	91.4	Very high	139 Å²	139	47.9 Å²	47.9	65%	0.65	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	133.2	174	179.9	-179.2	176.2	0	0	112.6	M74 D97	E72-M74 PolarHBondContact O-N 3.13Å; E72-D97 HydrophobicContact CG-CB 4.09Å
73	A	93.1	Very high	91.6	Very high	38 Å²	38	50.1 Å²	50.1	31%	0.314	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	26.8	174.3	0	0	0	0	0	114.8	R71 F75 A76 D97	R71-A73 PolarHBondContact O-N 2.89Å; A73-F75 PolarHBondContact O-N 2.78Å; A73-F75 VanDerWaalsContact O-N 3.1Å; A73-A76 HydrophobicContact CB-CB 4.06Å; A73-A76 VanDerWaalsContact O-CB 3.27Å; A73-A76 WeakPolarHBondContact O-CB 3.43Å; A73-A76 PolarHBondContact O-N 3.25Å; A73-D97 PolarHBondContact N-O 2.89Å
74	M	91.9	Very high	91.8	Very high	50 Å²	50	48.4 Å²	48.4	25%	0.246	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.6	-169.1	-179.2	178	-102.2	0	0	113	I49 V70 R71 E72 H77 A98	I49-M74 HydrophobicContact CD1-CB 4.5Å; I49-M74 HydrophobicContact CD1-CE 4.34Å; I49-M74 HydrophobicContact CD1-CG 3.21Å; I49-M74 HydrophobicContact CD1-SD 3.14Å; I49-M74 WeakPolarHBondContact CD1-SD 3.38Å; V70-M74 HydrophobicContact CB-SD 4.28Å; V70-M74 HydrophobicContact CG1-CB 4.35Å; V70-M74 HydrophobicContact CG1-SD 3.81Å; R71-M74 HydrophobicContact CB-CE 3.84Å; R71-M74 HydrophobicContact CG-CE 3.8Å; R71-M74 WeakPolarHBondContact O-CB 3.26Å; R71-M74 PolarHBondContact O-N 2.97Å; E72-M74 PolarHBondContact O-N 3.13Å; M74-H77 PolarHBondContact O-CE1 3.28Å; M74-H77 VanDerWaalsContact O-CE1 3.24Å; M74-H77 PolarHBondContact O-ND1 2.79Å; M74-A98 PolarHBondContact N-O 2.82Å
75	F	92.1	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	4.8	178.6	-57.1	-80.8	0	0	0	114	I49 L60 V70 A73 H77 M78 L84 L86 F99 L102	I49-F75 HydrophobicContact CD1-CD1 4.26Å; I49-F75 HydrophobicContact CD1-CE1 3.53Å; I49-F75 HydrophobicContact CD1-CE2 4.39Å; I49-F75 HydrophobicContact CD1-CZ 3.61Å; I49-F75 HydrophobicContact CG1-CE1 4.05Å; I49-F75 HydrophobicContact CG1-CZ 4.44Å; I49-F75 HydrophobicContact CG2-CD1 4.31Å; I49-F75 HydrophobicContact CG2-CE1 4.24Å; L60-F75 HydrophobicContact CD2-CD1 3.96Å; L60-F75 HydrophobicContact CD2-CE1 3.91Å; V70-F75 HydrophobicContact CG1-CD2 4.4Å; V70-F75 HydrophobicContact CG1-CE2 3.58Å; V70-F75 HydrophobicContact CG1-CZ 4.36Å; A73-F75 PolarHBondContact O-N 2.78Å; A73-F75 VanDerWaalsContact O-N 3.1Å; F75-H77 PolarHBondContact O-N 2.9Å; F75-M78 HydrophobicContact CB-CE 4.48Å; F75-M78 HydrophobicContact CD1-CE 4.01Å; F75-M78 PolarHBondContact O-N 3.16Å; F75-L84 HydrophobicContact CD1-CD1 4.37Å; F75-L84 HydrophobicContact CD1-CD2 4.24Å; F75-L84 HydrophobicContact CD2-CD2 3.95Å; F75-L84 HydrophobicContact CE1-CD1 3.92Å; F75-L84 HydrophobicContact CE1-CD2 4.05Å; F75-L84 HydrophobicContact CE2-CD2 3.73Å; F75-L84 HydrophobicContact CG-CD2 4.2Å; F75-L84 HydrophobicContact CZ-CD1 4.24Å; F75-L84 HydrophobicContact CZ-CD2 3.79Å; F75-L86 HydrophobicContact CZ-CD1 4.32Å; F75-L86 HydrophobicContact CZ-CD2 4.34Å; F75-F99 AromaticContact CD2-CD1 3.85Å; F75-F99 HydrophobicContact CD2-CD1 3.85Å; F75-F99 HydrophobicContact CD2-CE1 4.17Å; F75-F99 AromaticContact CE2-CD1 3.92Å; F75-F99 HydrophobicContact CE2-CD1 3.92Å; F75-F99 AromaticContact CE2-CE1 3.74Å; F75-F99 HydrophobicContact CE2-CE1 3.74Å; F75-L102 HydrophobicContact CB-CD1 3.75Å; F75-L102 HydrophobicContact CB-CD2 3.94Å; F75-L102 HydrophobicContact CB-CG 4.09Å; F75-L102 HydrophobicContact CG-CD1 4.36Å
76	A	90.8	Very high	92.5	Very high	44 Å²	44	45.4 Å²	45.4	36%	0.364	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.8	-173.3	0	0	0	0	0	115.1	A73 M78	A73-A76 HydrophobicContact CB-CB 4.06Å; A73-A76 VanDerWaalsContact O-CB 3.27Å; A73-A76 WeakPolarHBondContact O-CB 3.43Å; A73-A76 PolarHBondContact O-N 3.25Å; A76-M78 VanDerWaalsContact C-N 3.26Å; A76-M78 PolarHBondContact O-N 3.33Å
77	H	88.6	Confident	93	Very high	54 Å²	54	43 Å²	43	25%	0.25	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.4	175.7	60.2	-85.5	0	0	0	113.9	P50 I52 S53 M74 F75	P50-H77 PolarHBondContact O-NE2 2.86Å; I52-H77 PolarHBondContact O-CD2 2.87Å; S53-H77 PolarHBondContact OG-O 2.81Å; M74-H77 PolarHBondContact O-CE1 3.28Å; M74-H77 VanDerWaalsContact O-CE1 3.24Å; M74-H77 PolarHBondContact O-ND1 2.79Å; F75-H77 PolarHBondContact O-N 2.9Å
78	M	90.5	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.			trans	-125.5	67.2	175.4	-67.2	170.2	-65.1	0	0	110.2	L60 F75 A76 T80 L81 L102	L60-M78 HydrophobicContact CD2-CE 3.58Å; L60-M78 HydrophobicContact CD2-SD 4.21Å; F75-M78 HydrophobicContact CB-CE 4.48Å; F75-M78 HydrophobicContact CD1-CE 4.01Å; F75-M78 PolarHBondContact O-N 3.16Å; A76-M78 VanDerWaalsContact C-N 3.26Å; A76-M78 PolarHBondContact O-N 3.33Å; M78-T80 PolarHBondContact O-N 2.92Å; M78-T80 VanDerWaalsContact O-N 3.16Å; M78-L81 WeakPolarHBondContact O-CB 3.34Å; M78-L81 PolarHBondContact O-N 2.85Å; M78-L102 WeakPolarHBondContact O-CD2 3.17Å
79	P	90.9	Very high	93.3	Very high	57 Å²	57	41.6 Å²	41.6	37%	0.37	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.7	-172.4	28.9	-36.8	0	0	0	114.5	L81	P79-L81 VanDerWaalsContact C-N 3.32Å
80	T	92.6	Very high	93.3	Very high	45 Å²	45	41.7 Å²	41.7	28%	0.276	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.2	178.7	53.1	0	0	0	0	113.5	I57 M78 Q82	I57-T80 CarbonylContact O-C 3.55Å; I57-T80 PolarHBondContact O-OG1 2.87Å; M78-T80 PolarHBondContact O-N 2.92Å; M78-T80 VanDerWaalsContact O-N 3.16Å; T80-Q82 PolarHBondContact O-N 2.87Å
81	L	94.8	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.			trans	-67	127.3	-175.6	-156.2	79.7	0	0	0	111	I57 L60 M78 P79 L84 L102 H104 L105	I57-L81 HydrophobicContact CG2-CD1 4.1Å; L60-L81 HydrophobicContact CB-CD1 3.76Å; L60-L81 HydrophobicContact CB-CD2 4.33Å; M78-L81 WeakPolarHBondContact O-CB 3.34Å; M78-L81 PolarHBondContact O-N 2.85Å; P79-L81 VanDerWaalsContact C-N 3.32Å; L81-L84 HydrophobicContact CD2-CB 3.81Å; L81-L84 HydrophobicContact CD2-CD1 4.15Å; L81-L84 HydrophobicContact CD2-CD2 4.38Å; L81-L84 HydrophobicContact CD2-CG 4.34Å; L81-L102 HydrophobicContact CB-CD2 3.99Å; L81-L102 HydrophobicContact CD2-CD1 4.19Å; L81-L102 HydrophobicContact CD2-CD2 4.5Å; L81-H104 CarbonylContact O-C 3.13Å; L81-L105 HydrophobicContact CB-CD1 4.39Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; L81-L105 HydrophobicContact CG-CD1 4.19Å; L81-L105 WeakPolarHBondContact O-CA 3.22Å; L81-L105 PolarHBondContact O-N 3.09Å
82	Q	96.8	Very high	93.2	Very high	82 Å²	82	38 Å²	38	38%	0.383	22%	0.219	S	C	.	.			trans	-107.4	-31.2	175.8	-67.8	177.1	-32.3	0	0	112	T58 T80 H104 E106 Y107	T58-Q82 PolarHBondContact O-N 2.86Å; T80-Q82 PolarHBondContact O-N 2.87Å; Q82-H104 WeakPolarHBondContact CA-O 3.31Å; Q82-E106 PolarHBondContact O-N 2.71Å; Q82-Y107 PolarHBondContact O-N 2.88Å
83	L	97.9	Very high	93	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.246	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.5	179	-173.3	152.3	0	0	0	111.7	T58 S59 L60 L85 Y107 F109	T58-L83 PolarHBondContact O-N 2.81Å; S59-L83 WeakPolarHBondContact CA-O 3.44Å; L60-L83 PolarHBondContact N-O 3.01Å; L83-L85 HydrophobicContact CD2-CB 4.15Å; L83-Y107 WeakPolarHBondContact CA-O 3.35Å; L83-Y107 HydrophobicContact CD1-CG 4.47Å; L83-F109 HydrophobicContact CD1-CE2 4.46Å
84	L	97.3	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.4	172.4	-177.3	55	0	0	0	110.9	L60 F75 L81 L86 F99 L105 Y107 L108 F109	L60-L84 HydrophobicContact CB-CD1 4.04Å; L60-L84 HydrophobicContact CD2-CD1 3.88Å; L60-L84 HydrophobicContact CG-CD1 3.97Å; L60-L84 WeakPolarHBondContact O-CA 3.49Å; F75-L84 HydrophobicContact CD1-CD1 4.37Å; F75-L84 HydrophobicContact CD1-CD2 4.24Å; F75-L84 HydrophobicContact CD2-CD2 3.95Å; F75-L84 HydrophobicContact CE1-CD1 3.92Å; F75-L84 HydrophobicContact CE1-CD2 4.05Å; F75-L84 HydrophobicContact CE2-CD2 3.73Å; F75-L84 HydrophobicContact CG-CD2 4.2Å; F75-L84 HydrophobicContact CZ-CD1 4.24Å; F75-L84 HydrophobicContact CZ-CD2 3.79Å; L81-L84 HydrophobicContact CD2-CB 3.81Å; L81-L84 HydrophobicContact CD2-CD1 4.15Å; L81-L84 HydrophobicContact CD2-CD2 4.38Å; L81-L84 HydrophobicContact CD2-CG 4.34Å; L84-L86 HydrophobicContact CD1-CD2 3.88Å; L84-L86 HydrophobicContact CD1-CG 4.34Å; L84-L86 HydrophobicContact CG-CD2 4.32Å; L84-L86 HydrophobicContact CG-CG 4.24Å; L84-F99 HydrophobicContact CD2-CD1 3.82Å; L84-F99 HydrophobicContact CD2-CE1 3.68Å; L84-L105 HydrophobicContact CB-CD1 3.98Å; L84-Y107 PolarHBondContact N-O 2.87Å; L84-L108 HydrophobicContact CB-CD1 3.93Å; L84-L108 HydrophobicContact CD2-CD1 3.86Å; L84-L108 HydrophobicContact CG-CD1 3.95Å; L84-F109 PolarHBondContact O-N 2.79Å
85	L	96.9	Very high	93.4	Very high	36 Å²	36	36 Å²	36	19%	0.188	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.9	176.9	176	66.8	0	0	0	110.7	L60 S61 I62 L83 N87 F109	L60-L85 PolarHBondContact O-N 2.98Å; S61-L85 CarbonylContact C-O 3.5Å; S61-L85 WeakPolarHBondContact CA-O 3.41Å; I62-L85 PolarHBondContact N-O 2.77Å; L83-L85 HydrophobicContact CD2-CB 4.15Å; L85-N87 HydrophobicContact CD1-CB 3.97Å; L85-N87 HydrophobicContact CG-CB 4.19Å; L85-F109 CarbonylContact C-O 3.52Å; L85-F109 WeakPolarHBondContact CA-O 3.47Å; L85-F109 HydrophobicContact CD1-CB 3.44Å; L85-F109 VanDerWaalsContact CD1-CB 3.44Å; L85-F109 HydrophobicContact CD1-CD2 4.16Å; L85-F109 HydrophobicContact CD1-CG 4.28Å
86	L	95.3	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	82.6	175.9	-53.8	-178.5	0	0	0	108.8	I62 F67 V70 F75 L84 N89 L91 F109 I110 E111 N113	I62-L86 HydrophobicContact CB-CD2 4.13Å; I62-L86 HydrophobicContact CD1-CD2 4.1Å; I62-L86 HydrophobicContact CG1-CD2 4.26Å; F67-L86 HydrophobicContact CZ-CD2 4.09Å; V70-L86 HydrophobicContact CG2-CD1 4.08Å; F75-L86 HydrophobicContact CZ-CD1 4.32Å; F75-L86 HydrophobicContact CZ-CD2 4.34Å; L84-L86 HydrophobicContact CD1-CD2 3.88Å; L84-L86 HydrophobicContact CD1-CG 4.34Å; L84-L86 HydrophobicContact CG-CD2 4.32Å; L84-L86 HydrophobicContact CG-CG 4.24Å; L86-N89 VanDerWaalsContact C-ND2 3.3Å; L86-L91 HydrophobicContact CB-CD1 4.12Å; L86-L91 HydrophobicContact CD1-CD1 4Å; L86-F109 PolarHBondContact N-O 2.61Å; L86-I110 HydrophobicContact CB-CG2 4.43Å; L86-I110 HydrophobicContact CD1-CG1 4.39Å; L86-E111 PolarHBondContact O-N 2.78Å; L86-N113 PolarHBondContact O-ND2 2.91Å
87	N	95.1	Very high	93.8	Very high	38 Å²	38	38.8 Å²	38.8	20%	0.203	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.9	-173.2	-172.1	2	0	0	0	112.6	I62 V63 N64 L85 N89 E111 S112	I62-N87 PolarHBondContact O-N 3.18Å; I62-N87 VanDerWaalsContact O-N 3.07Å; V63-N87 WeakPolarHBondContact CA-O 3.33Å; N64-N87 PolarHBondContact N-O 3.16Å; L85-N87 HydrophobicContact CD1-CB 3.97Å; L85-N87 HydrophobicContact CG-CB 4.19Å; N87-N89 PolarHBondContact N-ND2 3.4Å; N87-N89 PolarHBondContact O-N 2.67Å; N87-N89 PolarHBondContact O-ND2 2.91Å; N87-E111 VanDerWaalsContact CA-O 3.32Å; N87-E111 WeakPolarHBondContact CA-O 3.44Å; N87-E111 PolarHBondContact OD1-O 2.94Å; N87-S112 WeakPolarHBondContact OD1-CB 3.36Å
88	S	92.5	Very high	94.1	Very high	48 Å²	48	36.2 Å²	36.2	34%	0.336	20%	0.197	S	C	.	.	S	Bend	trans	58.4	33.9	171	-58.4	0	0	0	0	113	N64 E111 S112	N64-S88 WeakPolarHBondContact CA-O 3.38Å; N64-S88 VanDerWaalsContact OD1-CB 3.23Å; N64-S88 WeakPolarHBondContact OD1-CB 3.46Å; S88-E111 PolarHBondContact N-O 2.8Å; S88-S112 VanDerWaalsContact CA-O 3.31Å; S88-S112 WeakPolarHBondContact CA-O 3.11Å
89	N	89.3	Confident	94.4	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.027	20%	0.198	C	C	.	.			trans	-95	173.2	172.5	-49.5	-74.2	0	0	0	110.2	I62 G65 F67 L86 N87 L91 N113	I62-N89 PolarHBondContact O-ND2 3.24Å; I62-N89 VanDerWaalsContact O-ND2 3.15Å; G65-N89 WeakPolarHBondContact CA-OD1 3.48Å; G65-N89 PolarHBondContact N-OD1 3.14Å; G65-N89 WeakPolarHBondContact O-CA 3.49Å; F67-N89 HydrophobicContact CE1-CB 3.97Å; F67-N89 WeakPolarHBondContact CE1-OD1 3.2Å; F67-N89 HydrophobicContact CZ-CB 4.21Å; L86-N89 VanDerWaalsContact C-ND2 3.3Å; N87-N89 PolarHBondContact N-ND2 3.4Å; N87-N89 PolarHBondContact O-N 2.67Å; N87-N89 PolarHBondContact O-ND2 2.91Å; N89-L91 HydrophobicContact CB-CG 4.25Å; N89-L91 PolarHBondContact O-N 3.41Å; N89-N113 VanDerWaalsContact C-OD1 3.24Å; N89-N113 WeakPolarHBondContact CA-OD1 3.34Å; N89-N113 WeakPolarHBondContact CB-OD1 3.27Å; N89-N113 PolarHBondContact N-OD1 3.17Å; N89-N113 PolarHBondContact O-OD1 2.91Å
90	S	89.8	Confident	94.6	Very high	48 Å²	48	36.3 Å²	36.3	34%	0.336	20%	0.199	S	C	.	.			trans	-91.4	34	174.3	-66.8	0	0	0	0	112.8	F67 S68 T92	F67-S90 CarbonylContact O-C 3.55Å; S68-S90 WeakPolarHBondContact CA-O 3.46Å; S90-T92 PolarHBondContact O-N 2.83Å
91	L	92.3	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.			trans	-65.3	125.3	-179.7	-77.4	173.6	0	0	0	111.4	F67 S68 V70 L86 N89 I110 N113 K114 L115	F67-L91 HydrophobicContact CD2-CD2 3.43Å; F67-L91 VanDerWaalsContact CD2-CD2 3.43Å; F67-L91 HydrophobicContact CD2-CG 4.13Å; F67-L91 HydrophobicContact CE2-CD1 3.73Å; F67-L91 HydrophobicContact CE2-CD2 3.37Å; F67-L91 HydrophobicContact CE2-CG 3.71Å; F67-L91 HydrophobicContact CG-CD2 4.43Å; F67-L91 HydrophobicContact CZ-CD1 4.02Å; F67-L91 HydrophobicContact CZ-CD2 4.29Å; F67-L91 HydrophobicContact CZ-CG 4.17Å; S68-L91 WeakPolarHBondContact O-CA 3.46Å; V70-L91 HydrophobicContact CG2-CD1 4.2Å; V70-L91 HydrophobicContact CG2-CD2 3.9Å; L86-L91 HydrophobicContact CB-CD1 4.12Å; L86-L91 HydrophobicContact CD1-CD1 4Å; N89-L91 HydrophobicContact CB-CG 4.25Å; N89-L91 PolarHBondContact O-N 3.41Å; L91-I110 HydrophobicContact CD1-CG2 4.18Å; L91-N113 HydrophobicContact CB-CB 3.81Å; L91-K114 CarbonylContact O-C 3.59Å; L91-K114 VanDerWaalsContact O-CA 3.31Å; L91-K114 WeakPolarHBondContact O-CA 3.44Å; L91-K114 PolarHBondContact O-N 3.02Å; L91-L115 HydrophobicContact CB-CD2 4.2Å; L91-L115 PolarHBondContact O-N 2.82Å
92	T	93.3	Very high	94.5	Very high	67 Å²	67	36 Å²	36	41%	0.411	20%	0.204	S	C	.	.			trans	-113.2	-21.5	176.3	57.7	0	0	0	0	112.6	S68 S90 K114 L115	S68-T92 PolarHBondContact O-N 3.1Å; S68-T92 PolarHBondContact O-OG1 2.83Å; S90-T92 PolarHBondContact O-N 2.83Å; T92-K114 HydrophobicContact CG2-CB 4.32Å; T92-L115 VanDerWaalsContact C-CD2 3.41Å
93	T	92.3	Very high	94.4	Very high	52 Å²	52	35.3 Å²	35.3	32%	0.319	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134	-174.9	-50	0	0	0	0	112.4	S68 E69 V70 R95	S68-T93 PolarHBondContact O-N 2.87Å; E69-T93 VanDerWaalsContact CA-O 3.29Å; E69-T93 WeakPolarHBondContact CA-O 3.3Å; V70-T93 PolarHBondContact N-O 2.82Å; T93-R95 HydrophobicContact CG2-CG 4.08Å
94	V	96.3	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.6	163.9	-177.5	0	0	0	0	107.1	V70 A98 F99 I110 L115 S119 A122	V70-V94 HydrophobicContact CB-CG1 4.4Å; V70-V94 HydrophobicContact CG2-CG2 4.47Å; V94-A98 HydrophobicContact CG1-CB 3.64Å; V94-F99 HydrophobicContact CG1-CE2 3.71Å; V94-F99 HydrophobicContact CG1-CZ 4.07Å; V94-I110 HydrophobicContact CG2-CD1 4.39Å; V94-L115 HydrophobicContact CG2-CD1 4.07Å; V94-L115 HydrophobicContact CG2-CD2 4.1Å; V94-S119 WeakPolarHBondContact O-CB 3.43Å; V94-S119 PolarHBondContact O-N 2.79Å; V94-S119 PolarHBondContact O-OG 3.17Å; V94-A122 HydrophobicContact CB-CB 4.39Å; V94-A122 HydrophobicContact CG1-CB 3.82Å
95	R	95.6	Very high	94.2	Very high	133 Å²	133	37.7 Å²	37.7	50%	0.502	22%	0.216	S	C	.	.			trans	-79.3	170	-174.8	-60.9	-170.5	70.7	95.5	5.8	111.8	V70 T93 A98 S119 A122	V70-R95 WeakPolarHBondContact O-CB 3.27Å; V70-R95 PolarHBondContact O-N 2.94Å; T93-R95 HydrophobicContact CG2-CG 4.08Å; R95-A98 VanDerWaalsContact O-CB 3.23Å; R95-A98 WeakPolarHBondContact O-CB 3.36Å; R95-A98 PolarHBondContact O-N 2.88Å; R95-S119 WeakPolarHBondContact CA-OG 3.18Å; R95-A122 WeakPolarHBondContact O-CA 3.38Å
96	D	95.9	Very high	94.3	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.342	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	140.8	171.9	-67.7	-35	0	0	0	111.3	A98 S119 K120 Y121	D96-A98 PolarHBondContact O-N 2.77Å; D96-A98 VanDerWaalsContact O-N 3.08Å; D96-S119 WeakPolarHBondContact OD1-CB 3.25Å; D96-K120 PolarHBondContact OD1-N 3.21Å; D96-Y121 WeakPolarHBondContact OD1-CA 3.15Å; D96-Y121 WeakPolarHBondContact OD1-CB 3.47Å; D96-Y121 PolarHBondContact OD1-N 3.37Å
97	D	95.6	Very high	94.4	Very high	38 Å²	38	43 Å²	43	20%	0.203	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	26.6	175.9	-53.2	-56	0	0	0	113.3	E72 A73 F99 S100 Y121 R124	E72-D97 HydrophobicContact CG-CB 4.09Å; A73-D97 PolarHBondContact N-O 2.89Å; D97-F99 VanDerWaalsContact C-N 3.26Å; D97-F99 PolarHBondContact O-N 2.8Å; D97-S100 VanDerWaalsContact O-CB 3.24Å; D97-S100 WeakPolarHBondContact O-CB 3.15Å; D97-S100 PolarHBondContact O-N 3.1Å; D97-S100 VanDerWaalsContact O-N 3.08Å; D97-Y121 PolarHBondContact N-O 3.24Å; D97-R124 WeakPolarHBondContact OD1-CD 3.29Å; D97-R124 IonicContact OD1-CZ 3.11Å; D97-R124 IonicContact OD1-NE 3.21Å; D97-R124 IonicContact OD1-NH1 3.86Å; D97-R124 PolarHBondContact OD1-NH1 3.38Å; D97-R124 IonicContact OD2-NH1 2.91Å; D97-R124 PolarHBondContact OD2-NH1 2.87Å
98	A	96.4	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38	-176	0	0	0	0	0	114	V70 R71 M74 V94 R95 D96	V70-A98 HydrophobicContact CB-CB 4.29Å; V70-A98 HydrophobicContact CG1-CB 3.73Å; R71-A98 VanDerWaalsContact O-CA 3.31Å; R71-A98 WeakPolarHBondContact O-CA 3.24Å; M74-A98 PolarHBondContact N-O 2.82Å; V94-A98 HydrophobicContact CG1-CB 3.64Å; R95-A98 VanDerWaalsContact O-CB 3.23Å; R95-A98 WeakPolarHBondContact O-CB 3.36Å; R95-A98 PolarHBondContact O-N 2.88Å; D96-A98 PolarHBondContact O-N 2.77Å; D96-A98 VanDerWaalsContact O-N 3.08Å
99	F	96.6	Very high	94.9	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.013	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	15.6	-177.9	-52.4	-73.4	0	0	0	112.9	V70 F75 L84 V94 D97 L102 L108 I110 A122 F123 L126	V70-F99 HydrophobicContact CG1-CE1 4.25Å; V70-F99 HydrophobicContact CG1-CZ 4.4Å; F75-F99 AromaticContact CD2-CD1 3.85Å; F75-F99 HydrophobicContact CD2-CD1 3.85Å; F75-F99 HydrophobicContact CD2-CE1 4.17Å; F75-F99 AromaticContact CE2-CD1 3.92Å; F75-F99 HydrophobicContact CE2-CD1 3.92Å; F75-F99 AromaticContact CE2-CE1 3.74Å; F75-F99 HydrophobicContact CE2-CE1 3.74Å; L84-F99 HydrophobicContact CD2-CD1 3.82Å; L84-F99 HydrophobicContact CD2-CE1 3.68Å; V94-F99 HydrophobicContact CG1-CE2 3.71Å; V94-F99 HydrophobicContact CG1-CZ 4.07Å; D97-F99 VanDerWaalsContact C-N 3.26Å; D97-F99 PolarHBondContact O-N 2.8Å; F99-L102 HydrophobicContact CB-CD1 4.25Å; F99-L102 HydrophobicContact CD1-CD1 4.43Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 WeakPolarHBondContact O-CG 3.43Å; F99-L102 PolarHBondContact O-N 3.09Å; F99-L108 HydrophobicContact CD1-CD1 4.44Å; F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CD2-CD2 4.01Å; F99-L108 HydrophobicContact CE1-CD1 3.9Å; F99-L108 HydrophobicContact CE1-CD2 4.24Å; F99-L108 HydrophobicContact CE2-CD2 3.79Å; F99-L108 HydrophobicContact CG-CD2 4.35Å; F99-L108 HydrophobicContact CZ-CD1 4.1Å; F99-L108 HydrophobicContact CZ-CD2 3.92Å; F99-I110 HydrophobicContact CE2-CD1 4.28Å; F99-I110 HydrophobicContact CZ-CD1 3.72Å; F99-A122 VanDerWaalsContact CD2-O 3.32Å; F99-A122 WeakPolarHBondContact CD2-O 3.08Å; F99-F123 AromaticContact CD2-CD1 3.97Å; F99-F123 HydrophobicContact CD2-CD1 3.97Å; F99-F123 HydrophobicContact CD2-CE1 4.41Å; F99-F123 AromaticContact CE2-CD1 3.78Å; F99-F123 HydrophobicContact CE2-CD1 3.78Å; F99-F123 AromaticContact CE2-CE1 3.76Å; F99-F123 HydrophobicContact CE2-CE1 3.76Å; F99-L126 HydrophobicContact CB-CD1 3.92Å; F99-L126 HydrophobicContact CB-CD2 3.87Å; F99-L126 HydrophobicContact CB-CG 4.24Å; F99-L126 HydrophobicContact CD2-CD1 4.09Å; F99-L126 HydrophobicContact CG-CD1 4.21Å
100	S	94.7	Very high	95.2	Very high	56 Å²	56	41.1 Å²	41.1	39%	0.392	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	140	175.5	-174.5	0	0	0	0	111.1	D97	D97-S100 VanDerWaalsContact O-CB 3.24Å; D97-S100 WeakPolarHBondContact O-CB 3.15Å; D97-S100 PolarHBondContact O-N 3.1Å; D97-S100 VanDerWaalsContact O-N 3.08Å
101	G	91.3	Very high	95.6	Very high	35 Å²	35	40.9 Å²	40.9	36%	0.361	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	8.4	-174.7	0	0	0	0	0	115.2	P103	G101-P103 WeakPolarHBondContact O-CD 3.36Å
102	L	94.5	Very high	95.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.231	C	C	.	.			trans	-111.3	71.1	174.2	-58.3	-175.3	0	0	0	111.8	F75 M78 L81 F99 H104 L105 L126	F75-L102 HydrophobicContact CB-CD1 3.75Å; F75-L102 HydrophobicContact CB-CD2 3.94Å; F75-L102 HydrophobicContact CB-CG 4.09Å; F75-L102 HydrophobicContact CG-CD1 4.36Å; M78-L102 WeakPolarHBondContact O-CD2 3.17Å; L81-L102 HydrophobicContact CB-CD2 3.99Å; L81-L102 HydrophobicContact CD2-CD1 4.19Å; L81-L102 HydrophobicContact CD2-CD2 4.5Å; F99-L102 HydrophobicContact CB-CD1 4.25Å; F99-L102 HydrophobicContact CD1-CD1 4.43Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 WeakPolarHBondContact O-CG 3.43Å; F99-L102 PolarHBondContact O-N 3.09Å; L102-H104 VanDerWaalsContact C-N 3.26Å; L102-H104 PolarHBondContact O-N 2.79Å; L102-L105 HydrophobicContact CB-CB 4.09Å; L102-L105 HydrophobicContact CD1-CD1 4.37Å; L102-L105 HydrophobicContact CD1-CD2 3.97Å; L102-L126 HydrophobicContact CB-CD2 4.44Å
103	P	92.8	Very high	95.9	Very high	67 Å²	67	40.5 Å²	40.5	44%	0.435	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.5	-173.8	28.6	-36.4	0	0	0	114.2	G101 D128	G101-P103 WeakPolarHBondContact O-CD 3.36Å; P103-D128 VanDerWaalsContact O-OD2 3.12Å
104	H	95	Very high	96	Very high	96 Å²	96	44.1 Å²	44.1	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	15.4	-174.2	-58.9	-52.2	0	0	0	113.5	L81 Q82 L102 E106 D128	L81-H104 CarbonylContact O-C 3.13Å; Q82-H104 WeakPolarHBondContact CA-O 3.31Å; L102-H104 VanDerWaalsContact C-N 3.26Å; L102-H104 PolarHBondContact O-N 2.79Å; H104-E106 PolarHBondContact O-N 2.94Å; H104-D128 IonicContact ND1-OD2 3.33Å
105	L	97.6	Very high	96	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.225	C	C	.	.			trans	-73.9	116.5	-176.2	-167.4	72.1	0	0	0	110.2	L81 L84 L102 L108 L126 D128 L129	L81-L105 HydrophobicContact CB-CD1 4.39Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; L81-L105 HydrophobicContact CG-CD1 4.19Å; L81-L105 WeakPolarHBondContact O-CA 3.22Å; L81-L105 PolarHBondContact O-N 3.09Å; L84-L105 HydrophobicContact CB-CD1 3.98Å; L102-L105 HydrophobicContact CB-CB 4.09Å; L102-L105 HydrophobicContact CD1-CD1 4.37Å; L102-L105 HydrophobicContact CD1-CD2 3.97Å; L105-L108 HydrophobicContact CD2-CB 4.18Å; L105-L108 HydrophobicContact CD2-CD1 4.46Å; L105-L108 HydrophobicContact CD2-CD2 4.43Å; L105-L126 HydrophobicContact CB-CD2 4.32Å; L105-L126 HydrophobicContact CD2-CD1 4.3Å; L105-L126 HydrophobicContact CD2-CD2 4.09Å; L105-D128 CarbonylContact O-C 2.98Å; L105-L129 HydrophobicContact CD2-CD1 4.18Å; L105-L129 HydrophobicContact CG-CD1 4.08Å; L105-L129 VanDerWaalsContact O-CA 3.23Å; L105-L129 WeakPolarHBondContact O-CA 3.45Å; L105-L129 PolarHBondContact O-N 3.14Å
106	E	98.1	Very high	96	Very high	69 Å²	69	42.2 Å²	42.2	32%	0.322	22%	0.222	S	C	.	.			trans	-101.8	-34.8	-179.1	-69.7	177.8	-161.3	0	0	112.1	Q82 H104 T130 H131	Q82-E106 PolarHBondContact O-N 2.71Å; H104-E106 PolarHBondContact O-N 2.94Å; E106-T130 PolarHBondContact O-N 2.7Å; E106-T130 PolarHBondContact O-OG1 3.04Å; E106-H131 PolarHBondContact O-N 2.83Å
107	Y	98.5	Very high	95.8	Very high	79 Å²	79	42 Å²	42	31%	0.31	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.6	-175	-56.6	-93.2	0	0	0	110.7	Q82 L83 L84 F109 H131	Q82-Y107 PolarHBondContact O-N 2.88Å; L83-Y107 WeakPolarHBondContact CA-O 3.35Å; L83-Y107 HydrophobicContact CD1-CG 4.47Å; L84-Y107 PolarHBondContact N-O 2.87Å; Y107-F109 HydrophobicContact CD1-CE2 4.47Å; Y107-F109 AromaticContact CD1-CZ 3.9Å; Y107-F109 HydrophobicContact CD1-CZ 3.9Å; Y107-F109 HydrophobicContact CG-CZ 4.45Å; Y107-H131 HydrophobicContact CD1-CB 3.74Å; Y107-H131 AromaticContact CD1-CG 3.75Å; Y107-H131 AromaticContact CD1-ND1 3.64Å; Y107-H131 HydrophobicContact CE1-CB 4.23Å; Y107-H131 AromaticContact CE1-CE1 3.66Å; Y107-H131 AromaticContact CE1-CG 3.72Å; Y107-H131 AromaticContact CE1-ND1 3.22Å; Y107-H131 WeakPolarHBondContact CE1-ND1 3.49Å; Y107-H131 AromaticContact CZ-ND1 4Å
108	L	98.4	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	112.2	176.1	178.5	57.1	0	0	0	110.1	L84 F99 L105 I110 F123 L126 L129 H131 L132 S133	L84-L108 HydrophobicContact CB-CD1 3.93Å; L84-L108 HydrophobicContact CD2-CD1 3.86Å; L84-L108 HydrophobicContact CG-CD1 3.95Å; F99-L108 HydrophobicContact CD1-CD1 4.44Å; F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CD2-CD2 4.01Å; F99-L108 HydrophobicContact CE1-CD1 3.9Å; F99-L108 HydrophobicContact CE1-CD2 4.24Å; F99-L108 HydrophobicContact CE2-CD2 3.79Å; F99-L108 HydrophobicContact CG-CD2 4.35Å; F99-L108 HydrophobicContact CZ-CD1 4.1Å; F99-L108 HydrophobicContact CZ-CD2 3.92Å; L105-L108 HydrophobicContact CD2-CB 4.18Å; L105-L108 HydrophobicContact CD2-CD1 4.46Å; L105-L108 HydrophobicContact CD2-CD2 4.43Å; L108-I110 HydrophobicContact CD1-CD1 4.17Å; L108-I110 HydrophobicContact CD1-CG1 3.95Å; L108-I110 HydrophobicContact CD2-CD1 4.31Å; L108-I110 HydrophobicContact CG-CD1 4.22Å; L108-I110 HydrophobicContact CG-CG1 4.15Å; L108-F123 HydrophobicContact CD2-CD1 3.89Å; L108-F123 HydrophobicContact CD2-CE1 3.91Å; L108-L126 HydrophobicContact CD2-CD1 3.99Å; L108-L129 HydrophobicContact CB-CD1 3.64Å; L108-L129 HydrophobicContact CB-CD2 4.29Å; L108-H131 PolarHBondContact N-O 3.35Å; L108-L132 HydrophobicContact CB-CD1 4.1Å; L108-L132 HydrophobicContact CD2-CD1 3.95Å; L108-L132 HydrophobicContact CG-CD1 3.92Å; L108-L132 WeakPolarHBondContact O-CA 3.27Å; L108-S133 PolarHBondContact O-N 3.38Å
109	F	98.3	Very high	95.7	Very high	52 Å²	52	42.2 Å²	42.2	23%	0.228	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.5	-177.7	-57.7	-41.8	0	0	0	110	L83 L84 L85 L86 Y107 E111 H131	L83-F109 HydrophobicContact CD1-CE2 4.46Å; L84-F109 PolarHBondContact O-N 2.79Å; L85-F109 CarbonylContact C-O 3.52Å; L85-F109 WeakPolarHBondContact CA-O 3.47Å; L85-F109 HydrophobicContact CD1-CB 3.44Å; L85-F109 VanDerWaalsContact CD1-CB 3.44Å; L85-F109 HydrophobicContact CD1-CD2 4.16Å; L85-F109 HydrophobicContact CD1-CG 4.28Å; L86-F109 PolarHBondContact N-O 2.61Å; Y107-F109 HydrophobicContact CD1-CE2 4.47Å; Y107-F109 AromaticContact CD1-CZ 3.9Å; Y107-F109 HydrophobicContact CD1-CZ 3.9Å; Y107-F109 HydrophobicContact CG-CZ 4.45Å; F109-E111 HydrophobicContact CB-CG 4.45Å; F109-H131 HydrophobicContact CE1-CB 3.99Å; F109-H131 HydrophobicContact CZ-CB 4.35Å
110	I	97.2	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	77.8	178.4	-47.4	175.6	0	0	0	107.7	L86 L91 V94 F99 L108 L115 F123 S133 L134 N137	L86-I110 HydrophobicContact CB-CG2 4.43Å; L86-I110 HydrophobicContact CD1-CG1 4.39Å; L91-I110 HydrophobicContact CD1-CG2 4.18Å; V94-I110 HydrophobicContact CG2-CD1 4.39Å; F99-I110 HydrophobicContact CE2-CD1 4.28Å; F99-I110 HydrophobicContact CZ-CD1 3.72Å; L108-I110 HydrophobicContact CD1-CD1 4.17Å; L108-I110 HydrophobicContact CD1-CG1 3.95Å; L108-I110 HydrophobicContact CD2-CD1 4.31Å; L108-I110 HydrophobicContact CG-CD1 4.22Å; L108-I110 HydrophobicContact CG-CG1 4.15Å; I110-L115 HydrophobicContact CG2-CD1 3.8Å; I110-F123 HydrophobicContact CD1-CE1 4.2Å; I110-S133 PolarHBondContact N-O 3.31Å; I110-L134 HydrophobicContact CB-CD2 4.01Å; I110-L134 HydrophobicContact CD1-CD2 4.09Å; I110-L134 HydrophobicContact CG1-CD2 4.38Å; I110-N137 PolarHBondContact O-ND2 3.04Å
111	E	97.1	Very high	95.5	Very high	43 Å²	43	47.7 Å²	47.7	20%	0.201	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.9	-167	-62.1	-174.8	162	0	0	112.9	L86 N87 S88 F109 N113 S133 A135	L86-E111 PolarHBondContact O-N 2.78Å; N87-E111 VanDerWaalsContact CA-O 3.32Å; N87-E111 WeakPolarHBondContact CA-O 3.44Å; N87-E111 PolarHBondContact OD1-O 2.94Å; S88-E111 PolarHBondContact N-O 2.8Å; F109-E111 HydrophobicContact CB-CG 4.45Å; E111-N113 VanDerWaalsContact C-N 3.27Å; E111-N113 PolarHBondContact N-ND2 2.99Å; E111-N113 PolarHBondContact O-N 2.65Å; E111-N113 PolarHBondContact O-ND2 3.19Å; E111-S133 VanDerWaalsContact CG-OG 3.26Å; E111-S133 WeakPolarHBondContact CG-OG 3.48Å; E111-S133 WeakPolarHBondContact OE1-CB 3.46Å; E111-S133 PolarHBondContact OE1-OG 3.45Å; E111-A135 VanDerWaalsContact CA-O 3.29Å; E111-A135 WeakPolarHBondContact CA-O 3.35Å; E111-A135 HydrophobicContact CG-CB 4.36Å
112	S	96.3	Very high	95.7	Very high	48 Å²	48	46 Å²	46	34%	0.336	23%	0.225	S	C	.	.	S	Bend	trans	56.7	37.4	173.9	-49.2	0	0	0	0	113.6	N87 S88 A135 N136	N87-S112 WeakPolarHBondContact OD1-CB 3.36Å; S88-S112 VanDerWaalsContact CA-O 3.31Å; S88-S112 WeakPolarHBondContact CA-O 3.11Å; S112-A135 PolarHBondContact N-O 2.84Å; S112-N136 WeakPolarHBondContact CA-O 3.44Å; S112-N136 PolarHBondContact N-O 3.42Å
113	N	95.4	Very high	95.8	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.059	22%	0.224	C	C	.	.	S	Bend	trans	-106.5	-161.2	173.2	-52.4	-89.7	0	0	0	111	L86 N89 L91 E111 N137	L86-N113 PolarHBondContact O-ND2 2.91Å; N89-N113 VanDerWaalsContact C-OD1 3.24Å; N89-N113 WeakPolarHBondContact CA-OD1 3.34Å; N89-N113 WeakPolarHBondContact CB-OD1 3.27Å; N89-N113 PolarHBondContact N-OD1 3.17Å; N89-N113 PolarHBondContact O-OD1 2.91Å; L91-N113 HydrophobicContact CB-CB 3.81Å; E111-N113 VanDerWaalsContact C-N 3.27Å; E111-N113 PolarHBondContact N-ND2 2.99Å; E111-N113 PolarHBondContact O-N 2.65Å; E111-N113 PolarHBondContact O-ND2 3.19Å; N113-N137 VanDerWaalsContact C-OD1 3.22Å; N113-N137 VanDerWaalsContact CA-OD1 3.28Å; N113-N137 WeakPolarHBondContact CA-OD1 3.36Å; N113-N137 WeakPolarHBondContact CB-OD1 3.46Å; N113-N137 PolarHBondContact N-OD1 2.95Å
114	K	95.3	Very high	95.9	Very high	127 Å²	127	47.2 Å²	47.2	55%	0.552	22%	0.221	S	C	*	.			trans	-119.7	31.8	-175.4	-60.6	178.6	-179	172.9	0	111.6	L91 T92 E116	L91-K114 CarbonylContact O-C 3.59Å; L91-K114 VanDerWaalsContact O-CA 3.31Å; L91-K114 WeakPolarHBondContact O-CA 3.44Å; L91-K114 PolarHBondContact O-N 3.02Å; T92-K114 HydrophobicContact CG2-CB 4.32Å; K114-E116 PolarHBondContact O-N 2.99Å
115	L	95.9	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.			trans	-68.5	123.2	178.7	-62.3	179.4	0	0	0	109.7	L91 T92 V94 I110 N137 N138 I139	L91-L115 HydrophobicContact CB-CD2 4.2Å; L91-L115 PolarHBondContact O-N 2.82Å; T92-L115 VanDerWaalsContact C-CD2 3.41Å; V94-L115 HydrophobicContact CG2-CD1 4.07Å; V94-L115 HydrophobicContact CG2-CD2 4.1Å; I110-L115 HydrophobicContact CG2-CD1 3.8Å; L115-N137 HydrophobicContact CB-CB 4.05Å; L115-N138 CarbonylContact O-C 3.54Å; L115-N138 VanDerWaalsContact O-CA 3.32Å; L115-N138 WeakPolarHBondContact O-CA 3.43Å; L115-N138 PolarHBondContact O-N 2.84Å; L115-I139 HydrophobicContact CB-CG1 4.18Å; L115-I139 WeakPolarHBondContact O-CA 3.5Å; L115-I139 WeakPolarHBondContact O-CG1 3.45Å; L115-I139 PolarHBondContact O-N 2.7Å
116	E	94.6	Very high	95.7	Very high	93 Å²	93	44.7 Å²	44.7	44%	0.435	22%	0.22	S	C	.	.	S	Bend	trans	-91.9	-25.4	170.2	-62.6	-156.9	168.2	0	0	112.7	K114 N138 I139 K140	K114-E116 PolarHBondContact O-N 2.99Å; E116-N138 WeakPolarHBondContact CA-O 3.31Å; E116-I139 WeakPolarHBondContact O-CA 3.48Å; E116-K140 PolarHBondContact O-N 3.05Å; E116-K140 IonicContact OE1-NZ 3.52Å; E116-K140 PolarHBondContact OE1-NZ 3Å; E116-K140 IonicContact OE2-NZ 2.93Å; E116-K140 PolarHBondContact OE2-NZ 2.77Å
117	T	93.1	Very high	95.5	Very high	61 Å²	61	48.6 Å²	48.6	37%	0.374	23%	0.232	S	C	.	.			trans	-163.7	177.2	175.6	-165.7	0	0	0	0	109.5	S141	T117-S141 WeakPolarHBondContact CB-O 3.1Å; T117-S141 PolarHBondContact OG1-O 3.03Å
118	T	94.5	Very high	95.4	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.049	24%	0.236	C	C	.	.			trans	-120.9	163.2	171.7	63.8	0	0	0	0	110	F123 L142 P143	T118-F123 HydrophobicContact CG2-CE2 4.42Å; T118-F123 HydrophobicContact CG2-CZ 4.28Å; T118-L142 HydrophobicContact CG2-CD2 4.14Å; T118-P143 WeakPolarHBondContact O-CG 3.31Å; T118-P143 WeakPolarHBondContact OG1-CD 3.28Å
119	S	93.8	Very high	95.4	Very high	34 Å²	34	48.3 Å²	48.3	24%	0.238	24%	0.236	C	C	.	.			trans	-71.9	156	166.7	-57.2	0	0	0	0	111.2	V94 R95 D96 Y121 A122	V94-S119 WeakPolarHBondContact O-CB 3.43Å; V94-S119 PolarHBondContact O-N 2.79Å; V94-S119 PolarHBondContact O-OG 3.17Å; R95-S119 WeakPolarHBondContact CA-OG 3.18Å; D96-S119 WeakPolarHBondContact OD1-CB 3.25Å; S119-Y121 PolarHBondContact O-N 3.43Å; S119-A122 VanDerWaalsContact O-CB 3.27Å; S119-A122 WeakPolarHBondContact O-CB 3.44Å; S119-A122 PolarHBondContact O-N 3.48Å
120	K	92.4	Very high	95.4	Very high	87 Å²	87	46.9 Å²	46.9	38%	0.378	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.3	-174.9	-177.1	174.5	179.7	176.7	0	112.3	D96 P143 R144	D96-K120 PolarHBondContact OD1-N 3.21Å; K120-P143 HydrophobicContact CB-CB 4.15Å; K120-P143 HydrophobicContact CB-CG 4.45Å; K120-R144 WeakPolarHBondContact CE-O 3.26Å
121	Y	95.6	Very high	95.4	Very high	87 Å²	87	48.7 Å²	48.7	34%	0.341	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	26.8	-176.6	-49.6	-61.3	0	0	0	112.3	D96 D97 S119 F123 R124	D96-Y121 WeakPolarHBondContact OD1-CA 3.15Å; D96-Y121 WeakPolarHBondContact OD1-CB 3.47Å; D96-Y121 PolarHBondContact OD1-N 3.37Å; D97-Y121 PolarHBondContact N-O 3.24Å; S119-Y121 PolarHBondContact O-N 3.43Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 PolarHBondContact O-N 3.35Å; Y121-R124 VanDerWaalsContact CD1-CZ 3.44Å; Y121-R124 VanDerWaalsContact CZ-NH2 3.31Å; Y121-R124 PolarHBondContact O-N 3.17Å
122	A	96.1	Very high	95.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.7	-178.8	0	0	0	0	0	113.2	V94 R95 F99 S119	V94-A122 HydrophobicContact CB-CB 4.39Å; V94-A122 HydrophobicContact CG1-CB 3.82Å; R95-A122 WeakPolarHBondContact O-CA 3.38Å; F99-A122 VanDerWaalsContact CD2-O 3.32Å; F99-A122 WeakPolarHBondContact CD2-O 3.08Å; S119-A122 VanDerWaalsContact O-CB 3.27Å; S119-A122 WeakPolarHBondContact O-CB 3.44Å; S119-A122 PolarHBondContact O-N 3.48Å
123	F	96.9	Very high	95.6	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	18.2	-177.1	-49.4	-62.5	0	0	0	113.6	F99 L108 I110 T118 Y121 G125 L126 L132 L134 V146 F147 L150	F99-F123 AromaticContact CD2-CD1 3.97Å; F99-F123 HydrophobicContact CD2-CD1 3.97Å; F99-F123 HydrophobicContact CD2-CE1 4.41Å; F99-F123 AromaticContact CE2-CD1 3.78Å; F99-F123 HydrophobicContact CE2-CD1 3.78Å; F99-F123 AromaticContact CE2-CE1 3.76Å; F99-F123 HydrophobicContact CE2-CE1 3.76Å; L108-F123 HydrophobicContact CD2-CD1 3.89Å; L108-F123 HydrophobicContact CD2-CE1 3.91Å; I110-F123 HydrophobicContact CD1-CE1 4.2Å; T118-F123 HydrophobicContact CG2-CE2 4.42Å; T118-F123 HydrophobicContact CG2-CZ 4.28Å; Y121-F123 VanDerWaalsContact C-N 3.31Å; Y121-F123 PolarHBondContact O-N 3.35Å; F123-G125 PolarHBondContact O-N 3.4Å; F123-L126 HydrophobicContact CB-CD1 4.16Å; F123-L126 HydrophobicContact CD1-CD1 4.3Å; F123-L126 PolarHBondContact O-N 3.5Å; F123-L132 HydrophobicContact CD2-CD2 4.27Å; F123-L132 HydrophobicContact CE1-CD1 4.18Å; F123-L132 HydrophobicContact CE2-CD2 4.19Å; F123-L132 HydrophobicContact CZ-CD1 4.42Å; F123-L132 HydrophobicContact CZ-CD2 4.34Å; F123-L134 HydrophobicContact CE2-CD1 4.29Å; F123-L134 HydrophobicContact CZ-CD1 4.14Å; F123-L134 HydrophobicContact CZ-CD2 3.97Å; F123-V146 HydrophobicContact CD2-CG2 3.83Å; F123-V146 HydrophobicContact CE2-CG2 4.04Å; F123-F147 HydrophobicContact CD2-CD1 4.44Å; F123-F147 HydrophobicContact CD2-CE1 4.43Å; F123-F147 HydrophobicContact CE2-CE1 4.36Å; F123-L150 HydrophobicContact CB-CD2 4.11Å
124	R	94.6	Very high	95.7	Very high	94 Å²	94	44.1 Å²	44.1	36%	0.355	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	136.7	-177.5	-170.8	-170.5	-80.6	151.2	-16.5	111	D97 Y121 L126 D149	D97-R124 WeakPolarHBondContact OD1-CD 3.29Å; D97-R124 IonicContact OD1-CZ 3.11Å; D97-R124 IonicContact OD1-NE 3.21Å; D97-R124 IonicContact OD1-NH1 3.86Å; D97-R124 PolarHBondContact OD1-NH1 3.38Å; D97-R124 IonicContact OD2-NH1 2.91Å; D97-R124 PolarHBondContact OD2-NH1 2.87Å; Y121-R124 VanDerWaalsContact CD1-CZ 3.44Å; Y121-R124 VanDerWaalsContact CZ-NH2 3.31Å; Y121-R124 PolarHBondContact O-N 3.17Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.18Å; R124-D149 WeakPolarHBondContact CG-OD2 3.38Å
125	G	91.6	Very high	95.8	Very high	41 Å²	41	38.1 Å²	38.1	42%	0.423	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	0.3	175.1	0	0	0	0	0	116.4	F123 R127 D149	F123-G125 PolarHBondContact O-N 3.4Å; G125-R127 PolarHBondContact O-N 2.95Å; G125-D149 PolarHBondContact N-OD2 3.18Å
126	L	96	Very high	95.9	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.208	C	C	.	.			trans	-80.7	61.7	177.2	-63	-177	0	0	0	112.3	F99 L102 L105 L108 F123 R124 D128 L129 L150	F99-L126 HydrophobicContact CB-CD1 3.92Å; F99-L126 HydrophobicContact CB-CD2 3.87Å; F99-L126 HydrophobicContact CB-CG 4.24Å; F99-L126 HydrophobicContact CD2-CD1 4.09Å; F99-L126 HydrophobicContact CG-CD1 4.21Å; L102-L126 HydrophobicContact CB-CD2 4.44Å; L105-L126 HydrophobicContact CB-CD2 4.32Å; L105-L126 HydrophobicContact CD2-CD1 4.3Å; L105-L126 HydrophobicContact CD2-CD2 4.09Å; L108-L126 HydrophobicContact CD2-CD1 3.99Å; F123-L126 HydrophobicContact CB-CD1 4.16Å; F123-L126 HydrophobicContact CD1-CD1 4.3Å; F123-L126 PolarHBondContact O-N 3.5Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.18Å; L126-D128 PolarHBondContact O-N 2.94Å; L126-L129 HydrophobicContact CB-CB 4.08Å; L126-L129 HydrophobicContact CB-CD2 4.47Å; L126-L129 HydrophobicContact CD1-CD2 4.22Å; L126-L129 VanDerWaalsContact O-CB 3.28Å; L126-L129 WeakPolarHBondContact O-CB 3.39Å; L126-L129 PolarHBondContact O-N 3.26Å; L126-L150 HydrophobicContact CB-CD2 3.8Å; L126-L150 WeakPolarHBondContact O-CD2 3.43Å
127	R	94.1	Very high	96	Very high	150 Å²	150	38.1 Å²	38.1	57%	0.566	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.4	-172.3	-64.3	-175.9	179.3	-176.4	-2.9	114.8	G125 L129 D149 S152	G125-R127 PolarHBondContact O-N 2.95Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-D149 WeakPolarHBondContact CA-O 3.36Å; R127-S152 WeakPolarHBondContact O-CB 3.38Å; R127-S152 PolarHBondContact O-N 2.79Å; R127-S152 PolarHBondContact O-OG 2.01Å
128	D	96.4	Very high	96.1	Very high	73 Å²	73	38.3 Å²	38.3	39%	0.39	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.3	179.2	-69.8	2.2	0	0	0	112.2	P103 H104 L105 L126 T130	P103-D128 VanDerWaalsContact O-OD2 3.12Å; H104-D128 IonicContact ND1-OD2 3.33Å; L105-D128 CarbonylContact O-C 2.98Å; L126-D128 PolarHBondContact O-N 2.94Å; D128-T130 PolarHBondContact O-N 2.8Å
129	L	97.9	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.			trans	-70.3	120.1	-176	-165	76	0	0	0	111	L105 L108 L126 R127 L132 L150 S152 L153	L105-L129 HydrophobicContact CD2-CD1 4.18Å; L105-L129 HydrophobicContact CG-CD1 4.08Å; L105-L129 VanDerWaalsContact O-CA 3.23Å; L105-L129 WeakPolarHBondContact O-CA 3.45Å; L105-L129 PolarHBondContact O-N 3.14Å; L108-L129 HydrophobicContact CB-CD1 3.64Å; L108-L129 HydrophobicContact CB-CD2 4.29Å; L126-L129 HydrophobicContact CB-CB 4.08Å; L126-L129 HydrophobicContact CB-CD2 4.47Å; L126-L129 HydrophobicContact CD1-CD2 4.22Å; L126-L129 VanDerWaalsContact O-CB 3.28Å; L126-L129 WeakPolarHBondContact O-CB 3.39Å; L126-L129 PolarHBondContact O-N 3.26Å; R127-L129 VanDerWaalsContact C-N 3.3Å; L129-L132 HydrophobicContact CD2-CB 4.01Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L129-L132 HydrophobicContact CD2-CD2 4.49Å; L129-L150 HydrophobicContact CB-CD2 4.31Å; L129-L150 HydrophobicContact CD2-CD1 4.43Å; L129-L150 HydrophobicContact CD2-CD2 3.94Å; L129-S152 CarbonylContact O-C 3.34Å; L129-L153 WeakPolarHBondContact O-CA 3.46Å; L129-L153 PolarHBondContact O-N 2.97Å
130	T	98	Very high	96.3	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.135	19%	0.19	C	C	.	.			trans	-103.1	-33.4	-178.8	59.5	0	0	0	0	112.4	E106 D128 S152 I154 E155	E106-T130 PolarHBondContact O-N 2.7Å; E106-T130 PolarHBondContact O-OG1 3.04Å; D128-T130 PolarHBondContact O-N 2.8Å; T130-S152 WeakPolarHBondContact CA-O 3.49Å; T130-I154 HydrophobicContact CG2-CD1 4.21Å; T130-I154 WeakPolarHBondContact O-CA 3.47Å; T130-I154 PolarHBondContact O-N 2.84Å; T130-E155 PolarHBondContact O-N 2.91Å
131	H	98.5	Very high	96.4	Very high	39 Å²	39	36.9 Å²	36.9	18%	0.181	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.8	-178.9	-59.6	70.2	0	0	0	110.4	E106 Y107 L108 F109 E155	E106-H131 PolarHBondContact O-N 2.83Å; Y107-H131 HydrophobicContact CD1-CB 3.74Å; Y107-H131 AromaticContact CD1-CG 3.75Å; Y107-H131 AromaticContact CD1-ND1 3.64Å; Y107-H131 HydrophobicContact CE1-CB 4.23Å; Y107-H131 AromaticContact CE1-CE1 3.66Å; Y107-H131 AromaticContact CE1-CG 3.72Å; Y107-H131 AromaticContact CE1-ND1 3.22Å; Y107-H131 WeakPolarHBondContact CE1-ND1 3.49Å; Y107-H131 AromaticContact CZ-ND1 4Å; L108-H131 PolarHBondContact N-O 3.35Å; F109-H131 HydrophobicContact CE1-CB 3.99Å; F109-H131 HydrophobicContact CZ-CB 4.35Å; H131-E155 WeakPolarHBondContact CA-O 3.46Å; H131-E155 IonicContact CD2-OE2 2.82Å; H131-E155 PolarHBondContact CD2-OE2 2.83Å; H131-E155 IonicContact NE2-OE2 3.2Å
132	L	98.4	Very high	96.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.2	173.7	177.5	56.1	0	0	0	109.4	L108 F123 L129 L134 F147 L150 L153 E155 L156 D157	L108-L132 HydrophobicContact CB-CD1 4.1Å; L108-L132 HydrophobicContact CD2-CD1 3.95Å; L108-L132 HydrophobicContact CG-CD1 3.92Å; L108-L132 WeakPolarHBondContact O-CA 3.27Å; F123-L132 HydrophobicContact CD2-CD2 4.27Å; F123-L132 HydrophobicContact CE1-CD1 4.18Å; F123-L132 HydrophobicContact CE2-CD2 4.19Å; F123-L132 HydrophobicContact CZ-CD1 4.42Å; F123-L132 HydrophobicContact CZ-CD2 4.34Å; L129-L132 HydrophobicContact CD2-CB 4.01Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L129-L132 HydrophobicContact CD2-CD2 4.49Å; L132-L134 HydrophobicContact CD1-CD2 4.2Å; L132-L134 HydrophobicContact CD1-CG 4.37Å; L132-L134 HydrophobicContact CG-CG 4.4Å; L132-F147 HydrophobicContact CD2-CD1 4.29Å; L132-F147 HydrophobicContact CD2-CE1 3.92Å; L132-L150 HydrophobicContact CD2-CD1 3.89Å; L132-L153 HydrophobicContact CB-CD1 3.88Å; L132-E155 PolarHBondContact N-O 2.87Å; L132-L156 HydrophobicContact CB-CD1 3.92Å; L132-L156 HydrophobicContact CD2-CD1 3.85Å; L132-L156 HydrophobicContact CG-CD1 3.77Å; L132-L156 CarbonylContact O-C 3.53Å; L132-L156 VanDerWaalsContact O-CA 3.32Å; L132-L156 WeakPolarHBondContact O-CA 3.26Å; L132-D157 PolarHBondContact O-N 2.9Å
133	S	98.3	Very high	96.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125	170.2	-177.1	0	0	0	0	110.8	L108 I110 E111 A135	L108-S133 PolarHBondContact O-N 3.38Å; I110-S133 PolarHBondContact N-O 3.31Å; E111-S133 VanDerWaalsContact CG-OG 3.26Å; E111-S133 WeakPolarHBondContact CG-OG 3.48Å; E111-S133 WeakPolarHBondContact OE1-CB 3.46Å; E111-S133 PolarHBondContact OE1-OG 3.45Å; S133-A135 WeakPolarHBondContact OG-CB 3.38Å; S133-A135 PolarHBondContact OG-N 3.4Å
134	L	97.8	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.			trans	-116.4	25.8	168	-56.9	177.5	0	0	0	110.3	I110 F123 L132 N137 I139 L142 D157 L158 N161	I110-L134 HydrophobicContact CB-CD2 4.01Å; I110-L134 HydrophobicContact CD1-CD2 4.09Å; I110-L134 HydrophobicContact CG1-CD2 4.38Å; F123-L134 HydrophobicContact CE2-CD1 4.29Å; F123-L134 HydrophobicContact CZ-CD1 4.14Å; F123-L134 HydrophobicContact CZ-CD2 3.97Å; L132-L134 HydrophobicContact CD1-CD2 4.2Å; L132-L134 HydrophobicContact CD1-CG 4.37Å; L132-L134 HydrophobicContact CG-CG 4.4Å; L134-N137 VanDerWaalsContact C-ND2 3.28Å; L134-N137 PolarHBondContact O-ND2 3.1Å; L134-I139 HydrophobicContact CB-CD1 3.85Å; L134-I139 HydrophobicContact CD1-CD1 4.1Å; L134-L142 HydrophobicContact CD1-CD2 4.44Å; L134-D157 CarbonylContact C-O 3.55Å; L134-D157 PolarHBondContact N-O 3.21Å; L134-L158 HydrophobicContact CB-CD2 4.07Å; L134-L158 HydrophobicContact CD1-CD2 4.1Å; L134-L158 HydrophobicContact CG-CD2 4.47Å; L134-N161 PolarHBondContact O-ND2 3.24Å
135	A	97.7	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	148.7	-173.9	0	0	0	0	0	113.4	E111 S112 S133 N137 D157 R159	E111-A135 VanDerWaalsContact CA-O 3.29Å; E111-A135 WeakPolarHBondContact CA-O 3.35Å; E111-A135 HydrophobicContact CG-CB 4.36Å; S112-A135 PolarHBondContact N-O 2.84Å; S133-A135 WeakPolarHBondContact OG-CB 3.38Å; S133-A135 PolarHBondContact OG-N 3.4Å; A135-N137 VanDerWaalsContact C-N 3.25Å; A135-N137 PolarHBondContact O-N 2.55Å; A135-N137 PolarHBondContact O-ND2 3.05Å; A135-D157 WeakPolarHBondContact CB-OD2 3.21Å; A135-D157 PolarHBondContact N-O 2.78Å; A135-R159 CarbonylContact C-O 3.56Å; A135-R159 VanDerWaalsContact CA-O 3.28Å; A135-R159 WeakPolarHBondContact CA-O 2.88Å; A135-R159 HydrophobicContact CB-CG 3.88Å
136	N	96.9	Very high	95.8	Very high	82 Å²	82	36.4 Å²	36.4	44%	0.439	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	38.2	175.4	-54.5	-53.9	0	0	0	113.4	S112 R159 G160	S112-N136 WeakPolarHBondContact CA-O 3.44Å; S112-N136 PolarHBondContact N-O 3.42Å; N136-R159 PolarHBondContact N-O 3.31Å; N136-G160 WeakPolarHBondContact CA-O 2.92Å
137	N	96.7	Very high	95.7	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	18%	0.176	C	C	.	.	S	Bend	trans	-95.4	-160.2	165.7	-72.5	-79.2	0	0	0	109.5	I110 N113 L115 L134 A135 I139 N161	I110-N137 PolarHBondContact O-ND2 3.04Å; N113-N137 VanDerWaalsContact C-OD1 3.22Å; N113-N137 VanDerWaalsContact CA-OD1 3.28Å; N113-N137 WeakPolarHBondContact CA-OD1 3.36Å; N113-N137 WeakPolarHBondContact CB-OD1 3.46Å; N113-N137 PolarHBondContact N-OD1 2.95Å; L115-N137 HydrophobicContact CB-CB 4.05Å; L134-N137 VanDerWaalsContact C-ND2 3.28Å; L134-N137 PolarHBondContact O-ND2 3.1Å; A135-N137 VanDerWaalsContact C-N 3.25Å; A135-N137 PolarHBondContact O-N 2.55Å; A135-N137 PolarHBondContact O-ND2 3.05Å; N137-I139 HydrophobicContact CB-CD1 4.22Å; N137-I139 HydrophobicContact CB-CG1 3.97Å; N137-N161 WeakPolarHBondContact CA-OD1 3.47Å; N137-N161 VanDerWaalsContact CB-OD1 3.22Å; N137-N161 WeakPolarHBondContact CB-OD1 3.43Å; N137-N161 PolarHBondContact N-OD1 2.69Å; N137-N161 PolarHBondContact O-OD1 2.85Å
138	N	95.9	Very high	95.6	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.353	18%	0.177	S	C	.	.			trans	-119.8	35	174.8	-164.7	39.6	0	0	0	110.6	L115 E116 K140	L115-N138 CarbonylContact O-C 3.54Å; L115-N138 VanDerWaalsContact O-CA 3.32Å; L115-N138 WeakPolarHBondContact O-CA 3.43Å; L115-N138 PolarHBondContact O-N 2.84Å; E116-N138 WeakPolarHBondContact CA-O 3.31Å; N138-K140 PolarHBondContact O-N 2.93Å; N138-K140 VanDerWaalsContact O-N 3.17Å
139	I	97.3	Very high	95.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.			trans	-66.8	120.1	-170.4	-63.1	168.5	0	0	0	108.7	L115 E116 L134 N137 L142 N161 A162 F163	L115-I139 HydrophobicContact CB-CG1 4.18Å; L115-I139 WeakPolarHBondContact O-CA 3.5Å; L115-I139 WeakPolarHBondContact O-CG1 3.45Å; L115-I139 PolarHBondContact O-N 2.7Å; E116-I139 WeakPolarHBondContact O-CA 3.48Å; L134-I139 HydrophobicContact CB-CD1 3.85Å; L134-I139 HydrophobicContact CD1-CD1 4.1Å; N137-I139 HydrophobicContact CB-CD1 4.22Å; N137-I139 HydrophobicContact CB-CG1 3.97Å; I139-L142 HydrophobicContact CD1-CD2 4.38Å; I139-L142 HydrophobicContact CG2-CD2 3.93Å; I139-L142 HydrophobicContact CG2-CG 3.89Å; I139-N161 HydrophobicContact CB-CB 4.1Å; I139-N161 VanDerWaalsContact CB-OD1 3.26Å; I139-N161 WeakPolarHBondContact CB-OD1 3.48Å; I139-N161 VanDerWaalsContact CG1-OD1 3.32Å; I139-N161 WeakPolarHBondContact CG1-OD1 3.24Å; I139-N161 PolarHBondContact N-OD1 3.4Å; I139-A162 CarbonylContact O-C 3.53Å; I139-A162 PolarHBondContact O-N 3Å; I139-F163 HydrophobicContact CB-CZ 4.48Å; I139-F163 HydrophobicContact CG2-CD1 4.45Å; I139-F163 HydrophobicContact CG2-CE1 3.76Å; I139-F163 HydrophobicContact CG2-CZ 4.02Å; I139-F163 PolarHBondContact O-N 2.81Å
140	K	95.8	Very high	95.2	Very high	72 Å²	72	34 Å²	34	31%	0.313	17%	0.172	S	C	.	.			trans	-92.6	-37.5	176.8	-65.6	174.3	-172.5	155.4	0	111.3	E116 N138 A162 F163 E164	E116-K140 PolarHBondContact O-N 3.05Å; E116-K140 IonicContact OE1-NZ 3.52Å; E116-K140 PolarHBondContact OE1-NZ 3Å; E116-K140 IonicContact OE2-NZ 2.93Å; E116-K140 PolarHBondContact OE2-NZ 2.77Å; N138-K140 PolarHBondContact O-N 2.93Å; N138-K140 VanDerWaalsContact O-N 3.17Å; K140-A162 WeakPolarHBondContact CA-O 3.31Å; K140-F163 CarbonylContact O-C 3.57Å; K140-F163 WeakPolarHBondContact O-CA 3.21Å; K140-E164 HydrophobicContact CB-CG 4.18Å; K140-E164 PolarHBondContact O-N 2.64Å
141	S	94.3	Very high	94.8	Very high	27 Å²	27	38.5 Å²	38.5	19%	0.189	20%	0.195	C	C	.	.			trans	-153.5	152.8	175.2	61.6	0	0	0	0	110.7	T117	T117-S141 WeakPolarHBondContact CB-O 3.1Å; T117-S141 PolarHBondContact OG1-O 3.03Å
142	L	95.2	Very high	94.7	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	20%	0.204	C	C	.	.			trans	-111.5	141.2	172.3	-73.1	172.6	0	0	0	109.4	T118 L134 I139 V146 F147 L158 F163 W171	T118-L142 HydrophobicContact CG2-CD2 4.14Å; L134-L142 HydrophobicContact CD1-CD2 4.44Å; I139-L142 HydrophobicContact CD1-CD2 4.38Å; I139-L142 HydrophobicContact CG2-CD2 3.93Å; I139-L142 HydrophobicContact CG2-CG 3.89Å; L142-V146 HydrophobicContact CB-CG1 4.35Å; L142-F147 HydrophobicContact CD1-CE2 4.31Å; L142-F147 HydrophobicContact CD1-CZ 3.76Å; L142-L158 HydrophobicContact CD1-CD2 4.21Å; L142-F163 HydrophobicContact CD1-CE1 4.19Å; L142-F163 HydrophobicContact CD1-CZ 4.24Å; L142-F163 HydrophobicContact CG-CE1 4.16Å; L142-W171 HydrophobicContact CB-CH2 4.39Å; L142-W171 HydrophobicContact CB-CZ2 3.68Å; L142-W171 WeakPolarHBondContact O-CZ2 3.43Å; L142-W171 PolarHBondContact O-NE1 3.26Å
143	P	92.7	Very high	94.7	Very high	29 Å²	29	39.7 Å²	39.7	19%	0.188	21%	0.207	C	C	.	.			trans	-66.9	148.3	179	25.9	-30.9	0	0	0	111	T118 K120 D145 V146 W171	T118-P143 WeakPolarHBondContact O-CG 3.31Å; T118-P143 WeakPolarHBondContact OG1-CD 3.28Å; K120-P143 HydrophobicContact CB-CB 4.15Å; K120-P143 HydrophobicContact CB-CG 4.45Å; P143-D145 PolarHBondContact O-N 2.86Å; P143-V146 HydrophobicContact CG-CB 3.99Å; P143-V146 HydrophobicContact CG-CG2 3.94Å; P143-V146 WeakPolarHBondContact O-CB 3.36Å; P143-V146 PolarHBondContact O-N 3.07Å; P143-W171 WeakPolarHBondContact O-CZ2 3.26Å
144	R	89.8	Confident	94.6	Very high	110 Å²	110	44.1 Å²	44.1	42%	0.415	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.6	178	-173.5	-178	171	170.6	2	111.1	K120 V146 W171	K120-R144 WeakPolarHBondContact CE-O 3.26Å; R144-V146 PolarHBondContact O-N 2.87Å; R144-W171 HydrophobicContact CB-CD2 4.48Å; R144-W171 HydrophobicContact CB-CG 4.09Å; R144-W171 HydrophobicContact CG-CB 4Å; R144-W171 HydrophobicContact CG-CD2 4.45Å; R144-W171 HydrophobicContact CG-CG 3.95Å
145	D	89	Confident	94.7	Very high	62 Å²	62	48.6 Å²	48.6	33%	0.332	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	18.2	177.2	-46.9	-40.1	0	0	0	114.5	P143 F147 I148	P143-D145 PolarHBondContact O-N 2.86Å; D145-F147 PolarHBondContact O-N 2.83Å; D145-I148 HydrophobicContact CB-CB 4.17Å; D145-I148 HydrophobicContact CB-CD1 4.24Å; D145-I148 VanDerWaalsContact O-CB 3.26Å; D145-I148 WeakPolarHBondContact O-CB 3.32Å; D145-I148 WeakPolarHBondContact O-CG2 3.44Å; D145-I148 PolarHBondContact O-N 3.28Å
146	V	95.1	Very high	94.7	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.4	179.9	73.8	0	0	0	0	113.7	F123 L142 P143 R144 W171	F123-V146 HydrophobicContact CD2-CG2 3.83Å; F123-V146 HydrophobicContact CE2-CG2 4.04Å; L142-V146 HydrophobicContact CB-CG1 4.35Å; P143-V146 HydrophobicContact CG-CB 3.99Å; P143-V146 HydrophobicContact CG-CG2 3.94Å; P143-V146 WeakPolarHBondContact O-CB 3.36Å; P143-V146 PolarHBondContact O-N 3.07Å; R144-V146 PolarHBondContact O-N 2.87Å; V146-W171 HydrophobicContact CG1-CH2 3.71Å; V146-W171 HydrophobicContact CG1-CZ2 4.12Å
147	F	95.1	Very high	94.7	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.039	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	10.2	178.4	-53.2	-43.8	0	0	0	113.8	F123 L132 L142 D145 D149 L150 L156 W171 L172 W175	F123-F147 HydrophobicContact CD2-CD1 4.44Å; F123-F147 HydrophobicContact CD2-CE1 4.43Å; F123-F147 HydrophobicContact CE2-CE1 4.36Å; L132-F147 HydrophobicContact CD2-CD1 4.29Å; L132-F147 HydrophobicContact CD2-CE1 3.92Å; L142-F147 HydrophobicContact CD1-CE2 4.31Å; L142-F147 HydrophobicContact CD1-CZ 3.76Å; D145-F147 PolarHBondContact O-N 2.83Å; F147-D149 VanDerWaalsContact C-N 3.29Å; F147-D149 PolarHBondContact O-N 3.32Å; F147-L150 HydrophobicContact CB-CD1 4.05Å; F147-L150 HydrophobicContact CB-CG 4.45Å; F147-L150 HydrophobicContact CD1-CD1 3.66Å; F147-L150 HydrophobicContact CG-CD1 4.26Å; F147-L150 PolarHBondContact O-N 3.28Å; F147-L150 VanDerWaalsContact O-N 3.15Å; F147-L156 HydrophobicContact CD2-CD2 4.34Å; F147-L156 HydrophobicContact CE1-CD1 4.39Å; F147-L156 HydrophobicContact CE1-CD2 4.37Å; F147-L156 HydrophobicContact CE2-CD2 3.68Å; F147-L156 HydrophobicContact CZ-CD1 4.27Å; F147-L156 HydrophobicContact CZ-CD2 3.69Å; F147-W171 AromaticContact CD2-CH2 3.86Å; F147-W171 HydrophobicContact CD2-CH2 3.86Å; F147-W171 HydrophobicContact CD2-CZ3 4.02Å; F147-W171 AromaticContact CE2-CH2 3.83Å; F147-W171 HydrophobicContact CE2-CH2 3.83Å; F147-W171 HydrophobicContact CE2-CZ3 4.34Å; F147-L172 HydrophobicContact CE2-CD1 4.1Å; F147-W175 HydrophobicContact CB-CZ2 4.27Å; F147-W175 HydrophobicContact CD2-CD2 4.08Å; F147-W175 AromaticContact CD2-CE2 3.94Å; F147-W175 HydrophobicContact CD2-CE3 4.21Å; F147-W175 HydrophobicContact CD2-CH2 4.11Å; F147-W175 AromaticContact CD2-CZ2 3.97Å; F147-W175 HydrophobicContact CD2-CZ2 3.97Å; F147-W175 HydrophobicContact CD2-CZ3 4.22Å; F147-W175 HydrophobicContact CE2-CE3 4.43Å; F147-W175 HydrophobicContact CE2-CH2 4.48Å; F147-W175 HydrophobicContact CE2-CZ3 4.31Å; F147-W175 HydrophobicContact CG-CZ2 4.39Å
148	I	90.7	Very high	94.7	Very high	113 Å²	113	44.8 Å²	44.8	58%	0.579	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.1	-168.8	-167.2	162.4	0	0	0	114.9	D145	D145-I148 HydrophobicContact CB-CB 4.17Å; D145-I148 HydrophobicContact CB-CD1 4.24Å; D145-I148 VanDerWaalsContact O-CB 3.26Å; D145-I148 WeakPolarHBondContact O-CB 3.32Å; D145-I148 WeakPolarHBondContact O-CG2 3.44Å; D145-I148 PolarHBondContact O-N 3.28Å
149	D	91.1	Very high	94.7	Very high	41 Å²	41	48.3 Å²	48.3	22%	0.219	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	5.5	-178	-73.2	-17.2	0	0	0	113.1	R124 G125 R127 F147 D151	R124-D149 WeakPolarHBondContact CG-OD2 3.38Å; G125-D149 PolarHBondContact N-OD2 3.18Å; R127-D149 WeakPolarHBondContact CA-O 3.36Å; F147-D149 VanDerWaalsContact C-N 3.29Å; F147-D149 PolarHBondContact O-N 3.32Å; D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 VanDerWaalsContact O-N 3.09Å
150	L	94.6	Very high	94.7	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	26%	0.262	C	S	.	.			trans	-87.8	59	-176.7	-55.5	-173.9	0	0	0	111.3	F123 L126 L129 L132 F147 S152 L153	F123-L150 HydrophobicContact CB-CD2 4.11Å; L126-L150 HydrophobicContact CB-CD2 3.8Å; L126-L150 WeakPolarHBondContact O-CD2 3.43Å; L129-L150 HydrophobicContact CB-CD2 4.31Å; L129-L150 HydrophobicContact CD2-CD1 4.43Å; L129-L150 HydrophobicContact CD2-CD2 3.94Å; L132-L150 HydrophobicContact CD2-CD1 3.89Å; F147-L150 HydrophobicContact CB-CD1 4.05Å; F147-L150 HydrophobicContact CB-CG 4.45Å; F147-L150 HydrophobicContact CD1-CD1 3.66Å; F147-L150 HydrophobicContact CG-CD1 4.26Å; F147-L150 PolarHBondContact O-N 3.28Å; F147-L150 VanDerWaalsContact O-N 3.15Å; L150-S152 PolarHBondContact O-N 2.91Å; L150-L153 HydrophobicContact CB-CB 4.08Å; L150-L153 HydrophobicContact CB-CD2 4.36Å; L150-L153 HydrophobicContact CD1-CD2 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.85Å
151	D	91.3	Very high	94.7	Very high	118 Å²	118	48.2 Å²	48.2	63%	0.631	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.1	-171.6	-63.9	-34.5	0	0	0	113.7	D149	D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 VanDerWaalsContact O-N 3.09Å
152	S	96.3	Very high	94.9	Very high	52 Å²	52	48.1 Å²	48.1	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	10.3	-176.7	-54.7	0	0	0	0	114	R127 L129 T130 L150 I154	R127-S152 WeakPolarHBondContact O-CB 3.38Å; R127-S152 PolarHBondContact O-N 2.79Å; R127-S152 PolarHBondContact O-OG 2.01Å; L129-S152 CarbonylContact O-C 3.34Å; T130-S152 WeakPolarHBondContact CA-O 3.49Å; L150-S152 PolarHBondContact O-N 2.91Å; S152-I154 PolarHBondContact O-N 3.28Å
153	L	97.3	Very high	94.9	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.253	C	S	.	.			trans	-66.5	120.1	-172	-167.5	68.7	0	0	0	111.8	L129 L132 L150 L156 W175 S181	L129-L153 WeakPolarHBondContact O-CA 3.46Å; L129-L153 PolarHBondContact O-N 2.97Å; L132-L153 HydrophobicContact CB-CD1 3.88Å; L150-L153 HydrophobicContact CB-CB 4.08Å; L150-L153 HydrophobicContact CB-CD2 4.36Å; L150-L153 HydrophobicContact CD1-CD2 4.13Å; L150-L153 WeakPolarHBondContact O-CB 3.46Å; L150-L153 PolarHBondContact O-N 2.85Å; L153-L156 HydrophobicContact CD2-CB 4.2Å; L153-W175 HydrophobicContact CD2-CH2 4.19Å; L153-W175 HydrophobicContact CD2-CZ2 4.21Å; L153-S181 WeakPolarHBondContact O-CB 3.37Å; L153-S181 PolarHBondContact O-OG 3.11Å
154	I	97.4	Very high	95	Very high	96 Å²	96	49.5 Å²	49.5	49%	0.492	26%	0.257	S	S	.	.			trans	-101	-44.9	177.9	-59.5	177.3	0	0	0	110.4	T130 S152 S181 T182	T130-I154 HydrophobicContact CG2-CD1 4.21Å; T130-I154 WeakPolarHBondContact O-CA 3.47Å; T130-I154 PolarHBondContact O-N 2.84Å; S152-I154 PolarHBondContact O-N 3.28Å; I154-S181 CarbonylContact O-C 3.15Å; I154-S181 WeakPolarHBondContact O-CA 3.35Å; I154-T182 PolarHBondContact O-N 2.83Å
155	E	97.9	Very high	95	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.4	-175.9	-166	174.7	172.3	0	0	111.6	T130 H131 L132 T182	T130-E155 PolarHBondContact O-N 2.91Å; H131-E155 WeakPolarHBondContact CA-O 3.46Å; H131-E155 IonicContact CD2-OE2 2.82Å; H131-E155 PolarHBondContact CD2-OE2 2.83Å; H131-E155 IonicContact NE2-OE2 3.2Å; L132-E155 PolarHBondContact N-O 2.87Å; E155-T182 WeakPolarHBondContact CA-O 3.44Å
156	L	97.8	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.7	173.3	177.2	63.1	0	0	0	110.4	L132 F147 L153 L158 W175 T182 V183 S184	L132-L156 HydrophobicContact CB-CD1 3.92Å; L132-L156 HydrophobicContact CD2-CD1 3.85Å; L132-L156 HydrophobicContact CG-CD1 3.77Å; L132-L156 CarbonylContact O-C 3.53Å; L132-L156 VanDerWaalsContact O-CA 3.32Å; L132-L156 WeakPolarHBondContact O-CA 3.26Å; F147-L156 HydrophobicContact CD2-CD2 4.34Å; F147-L156 HydrophobicContact CE1-CD1 4.39Å; F147-L156 HydrophobicContact CE1-CD2 4.37Å; F147-L156 HydrophobicContact CE2-CD2 3.68Å; F147-L156 HydrophobicContact CZ-CD1 4.27Å; F147-L156 HydrophobicContact CZ-CD2 3.69Å; L153-L156 HydrophobicContact CD2-CB 4.2Å; L156-L158 HydrophobicContact CD1-CD2 4.11Å; L156-L158 HydrophobicContact CD1-CG 4.31Å; L156-L158 HydrophobicContact CD2-CD1 3.97Å; L156-L158 HydrophobicContact CD2-CG 4.15Å; L156-L158 HydrophobicContact CG-CD1 4.32Å; L156-L158 HydrophobicContact CG-CD2 4.3Å; L156-L158 HydrophobicContact CG-CG 3.96Å; L156-W175 HydrophobicContact CD2-CH2 3.53Å; L156-W175 HydrophobicContact CD2-CZ3 3.55Å; L156-T182 PolarHBondContact N-O 3.35Å; L156-V183 HydrophobicContact CB-CG1 4.1Å; L156-V183 HydrophobicContact CB-CG2 4.21Å; L156-V183 HydrophobicContact CD2-CG1 4.04Å; L156-V183 HydrophobicContact CG-CG1 4.11Å; L156-V183 VanDerWaalsContact O-CA 3.32Å; L156-V183 WeakPolarHBondContact O-CA 3.38Å; L156-V183 WeakPolarHBondContact O-CG1 3.36Å; L156-S184 PolarHBondContact O-N 3.29Å
157	D	97.8	Very high	94.6	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.059	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.9	176.9	-170	5.8	0	0	0	111.4	L132 L134 A135 R159 S184	L132-D157 PolarHBondContact O-N 2.9Å; L134-D157 CarbonylContact C-O 3.55Å; L134-D157 PolarHBondContact N-O 3.21Å; A135-D157 WeakPolarHBondContact CB-OD2 3.21Å; A135-D157 PolarHBondContact N-O 2.78Å; D157-R159 WeakPolarHBondContact OD1-CB 3.32Å; D157-R159 WeakPolarHBondContact OD1-CD 3.48Å; D157-R159 WeakPolarHBondContact OD1-CG 3.25Å; D157-R159 PolarHBondContact OD1-N 2.92Å; D157-R159 VanDerWaalsContact OD1-N 3.11Å; D157-R159 IonicContact OD1-NE 2.66Å; D157-R159 PolarHBondContact OD1-NE 2.85Å; D157-R159 IonicContact OD2-CZ 3.85Å; D157-R159 IonicContact OD2-NE 3.09Å; D157-R159 PolarHBondContact OD2-NE 3.32Å; D157-R159 IonicContact OD2-NH2 2.7Å; D157-R159 PolarHBondContact OD2-NH2 2.98Å; D157-S184 WeakPolarHBondContact OD1-CB 3.36Å; D157-S184 PolarHBondContact OD1-OG 3.47Å
158	L	97.1	Very high	94.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.26	C	S	.	.			trans	-119.4	7.3	180	-64.6	179.1	0	0	0	112.3	L134 L142 L156 N161 F163 V183 S184 V186	L134-L158 HydrophobicContact CB-CD2 4.07Å; L134-L158 HydrophobicContact CD1-CD2 4.1Å; L134-L158 HydrophobicContact CG-CD2 4.47Å; L142-L158 HydrophobicContact CD1-CD2 4.21Å; L156-L158 HydrophobicContact CD1-CD2 4.11Å; L156-L158 HydrophobicContact CD1-CG 4.31Å; L156-L158 HydrophobicContact CD2-CD1 3.97Å; L156-L158 HydrophobicContact CD2-CG 4.15Å; L156-L158 HydrophobicContact CG-CD1 4.32Å; L156-L158 HydrophobicContact CG-CD2 4.3Å; L156-L158 HydrophobicContact CG-CG 3.96Å; L158-N161 PolarHBondContact O-ND2 2.78Å; L158-F163 HydrophobicContact CB-CE2 4.13Å; L158-F163 HydrophobicContact CB-CZ 4.38Å; L158-F163 HydrophobicContact CD1-CZ 4.2Å; L158-F163 HydrophobicContact CD2-CZ 4.39Å; L158-V183 HydrophobicContact CD1-CG1 4.37Å; L158-S184 PolarHBondContact N-OG 3.13Å; L158-V186 HydrophobicContact CB-CG2 4.08Å; L158-V186 HydrophobicContact CD1-CG2 3.72Å
159	R	96.4	Very high	94.2	Very high	140 Å²	140	44.6 Å²	44.6	53%	0.528	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	154	-176.1	74.1	-165.3	154.7	-172.7	-10.4	112.2	A135 N136 D157 N161 S184	A135-R159 CarbonylContact C-O 3.56Å; A135-R159 VanDerWaalsContact CA-O 3.28Å; A135-R159 WeakPolarHBondContact CA-O 2.88Å; A135-R159 HydrophobicContact CB-CG 3.88Å; N136-R159 PolarHBondContact N-O 3.31Å; D157-R159 WeakPolarHBondContact OD1-CB 3.32Å; D157-R159 WeakPolarHBondContact OD1-CD 3.48Å; D157-R159 WeakPolarHBondContact OD1-CG 3.25Å; D157-R159 PolarHBondContact OD1-N 2.92Å; D157-R159 VanDerWaalsContact OD1-N 3.11Å; D157-R159 IonicContact OD1-NE 2.66Å; D157-R159 PolarHBondContact OD1-NE 2.85Å; D157-R159 IonicContact OD2-CZ 3.85Å; D157-R159 IonicContact OD2-NE 3.09Å; D157-R159 PolarHBondContact OD2-NE 3.32Å; D157-R159 IonicContact OD2-NH2 2.7Å; D157-R159 PolarHBondContact OD2-NH2 2.98Å; R159-N161 VanDerWaalsContact C-N 3.28Å; R159-N161 PolarHBondContact O-N 2.61Å; R159-S184 PolarHBondContact N-OG 2.8Å
160	G	95.4	Very high	94	Very high	49 Å²	49	45.3 Å²	45.3	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	22.4	175.4	0	0	0	0	0	114.5	N136	N136-G160 WeakPolarHBondContact CA-O 2.92Å
161	N	97.4	Very high	93.8	Very high	22 Å²	22	46 Å²	46	12%	0.118	24%	0.238	C	C	.	.			trans	-100.8	172.9	170.5	-76.2	-69.4	0	0	0	111.5	L134 N137 I139 L158 R159 F163	L134-N161 PolarHBondContact O-ND2 3.24Å; N137-N161 WeakPolarHBondContact CA-OD1 3.47Å; N137-N161 VanDerWaalsContact CB-OD1 3.22Å; N137-N161 WeakPolarHBondContact CB-OD1 3.43Å; N137-N161 PolarHBondContact N-OD1 2.69Å; N137-N161 PolarHBondContact O-OD1 2.85Å; I139-N161 HydrophobicContact CB-CB 4.1Å; I139-N161 VanDerWaalsContact CB-OD1 3.26Å; I139-N161 WeakPolarHBondContact CB-OD1 3.48Å; I139-N161 VanDerWaalsContact CG1-OD1 3.32Å; I139-N161 WeakPolarHBondContact CG1-OD1 3.24Å; I139-N161 PolarHBondContact N-OD1 3.4Å; L158-N161 PolarHBondContact O-ND2 2.78Å; R159-N161 VanDerWaalsContact C-N 3.28Å; R159-N161 PolarHBondContact O-N 2.61Å; N161-F163 HydrophobicContact CB-CD2 3.86Å; N161-F163 HydrophobicContact CB-CE2 3.58Å; N161-F163 HydrophobicContact CB-CZ 4.34Å
162	A	96.6	Very high	93.9	Very high	24 Å²	24	40.5 Å²	40.5	20%	0.198	21%	0.209	C	C	.	.			trans	-118.1	56.1	-173.1	0	0	0	0	0	111.8	I139 K140 E164 A189	I139-A162 CarbonylContact O-C 3.53Å; I139-A162 PolarHBondContact O-N 3Å; K140-A162 WeakPolarHBondContact CA-O 3.31Å; A162-E164 PolarHBondContact O-N 3.08Å; A162-A189 HydrophobicContact CB-CB 4.08Å
163	F	95.9	Very high	93.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.6	-172	-75.3	-80.1	0	0	0	113.4	I139 K140 L142 L158 N161 C165 L172 V186 A189 G190	I139-F163 HydrophobicContact CB-CZ 4.48Å; I139-F163 HydrophobicContact CG2-CD1 4.45Å; I139-F163 HydrophobicContact CG2-CE1 3.76Å; I139-F163 HydrophobicContact CG2-CZ 4.02Å; I139-F163 PolarHBondContact O-N 2.81Å; K140-F163 CarbonylContact O-C 3.57Å; K140-F163 WeakPolarHBondContact O-CA 3.21Å; L142-F163 HydrophobicContact CD1-CE1 4.19Å; L142-F163 HydrophobicContact CD1-CZ 4.24Å; L142-F163 HydrophobicContact CG-CE1 4.16Å; L158-F163 HydrophobicContact CB-CE2 4.13Å; L158-F163 HydrophobicContact CB-CZ 4.38Å; L158-F163 HydrophobicContact CD1-CZ 4.2Å; L158-F163 HydrophobicContact CD2-CZ 4.39Å; N161-F163 HydrophobicContact CB-CD2 3.86Å; N161-F163 HydrophobicContact CB-CE2 3.58Å; N161-F163 HydrophobicContact CB-CZ 4.34Å; F163-C165 PolarHBondContact O-N 3.21Å; F163-L172 HydrophobicContact CD1-CD2 4.32Å; F163-L172 HydrophobicContact CE1-CD2 3.89Å; F163-L172 HydrophobicContact CZ-CD2 4.35Å; F163-V186 HydrophobicContact CB-CG1 4.34Å; F163-V186 HydrophobicContact CD2-CG1 3.56Å; F163-V186 HydrophobicContact CE2-CG1 3.91Å; F163-V186 HydrophobicContact CG-CG1 3.93Å; F163-A189 PolarHBondContact O-N 2.84Å; F163-G190 PolarHBondContact O-N 3.08Å
164	E	94.1	Very high	93.3	Very high	62 Å²	62	43 Å²	43	29%	0.29	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	103.9	167.4	-64	-66.5	172.8	0	0	108.3	K140 A162 D166 G190	K140-E164 HydrophobicContact CB-CG 4.18Å; K140-E164 PolarHBondContact O-N 2.64Å; A162-E164 PolarHBondContact O-N 3.08Å; E164-D166 PolarHBondContact O-N 3.36Å; E164-G190 VanDerWaalsContact OE2-C 3.3Å; E164-G190 VanDerWaalsContact OE2-CA 3.28Å; E164-G190 WeakPolarHBondContact OE2-CA 3.33Å
165	C	91.8	Very high	93	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.201	C	C	.	.			trans	-84.1	61.6	-177.9	-67.4	0	0	0	0	111.2	F163 C188 G190 M194 L199 L205	F163-C165 PolarHBondContact O-N 3.21Å; C165-C188 HydrophobicContact CB-CB 3.64Å; C165-C188 WeakPolarHBondContact CB-SG 3.25Å; C165-C188 WeakPolarHBondContact SG-CA 3.48Å; C165-C188 WeakPolarHBondContact SG-CB 3.17Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 2.84Å; C165-G190 PolarHBondContact N-O 2.92Å; C165-M194 HydrophobicContact CB-CB 4.2Å; C165-L199 HydrophobicContact CB-CD1 4.33Å; C165-L205 VanDerWaalsContact C-CD2 3.47Å; C165-L205 HydrophobicContact CB-CD2 4.1Å; C165-L205 WeakPolarHBondContact O-CD2 3.37Å
166	D	87.5	Confident	92.8	Very high	49 Å²	49	37.1 Å²	37.1	26%	0.262	18%	0.184	S	C	.	.	S	Bend	trans	-100.9	-165.2	171.3	66.5	31.6	0	0	0	111.2	E164 R168 A169	E164-D166 PolarHBondContact O-N 3.36Å; D166-R168 PolarHBondContact O-N 2.96Å; D166-R168 VanDerWaalsContact O-N 3.14Å; D166-R168 VanDerWaalsContact OD1-CB 3.22Å; D166-R168 WeakPolarHBondContact OD1-CB 3.49Å; D166-R168 WeakPolarHBondContact OD1-CG 3.43Å; D166-R168 PolarHBondContact OD1-N 3.1Å; D166-R168 IonicContact OD1-NE 3.84Å; D166-R168 PolarHBondContact OD1-NE 3.29Å; D166-R168 VanDerWaalsContact OD1-NE 3.14Å; D166-R168 IonicContact OD1-NH2 3.43Å; D166-R168 IonicContact OD2-CZ 2.96Å; D166-R168 VanDerWaalsContact OD2-CZ 3.31Å; D166-R168 IonicContact OD2-NE 2.71Å; D166-R168 PolarHBondContact OD2-NE 2.84Å; D166-R168 VanDerWaalsContact OD2-NE 3.09Å; D166-R168 IonicContact OD2-NH2 2.72Å; D166-R168 PolarHBondContact OD2-NH2 2.87Å; D166-A169 WeakPolarHBondContact O-CB 3.49Å; D166-A169 PolarHBondContact O-N 3.45Å
167	C	86.6	Confident	92.5	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.176	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.2	-178.7	-64.5	0	0	0	0	113.9	A169 K170 C209 L537	C167-A169 PolarHBondContact O-N 3.06Å; C167-K170 VanDerWaalsContact O-CB 3.26Å; C167-K170 WeakPolarHBondContact O-CB 3.36Å; C167-K170 PolarHBondContact O-N 3.03Å; C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.74Å; C167-C209 VanDerWaalsContact CB-SG 3.5Å; C167-C209 PolarHBondContact SG-SG 3.11Å; C167-L537 HydrophobicContact CB-CB 3.62Å; C167-L537 WeakPolarHBondContact CB-O 3.3Å
168	R	86.9	Confident	92.1	Very high	112 Å²	112	45.4 Å²	45.4	42%	0.423	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-70.9	-22.4	178.8	-57.3	173	-66	169.9	-0.3	112	D166 K170 W171	D166-R168 PolarHBondContact O-N 2.96Å; D166-R168 VanDerWaalsContact O-N 3.14Å; D166-R168 VanDerWaalsContact OD1-CB 3.22Å; D166-R168 WeakPolarHBondContact OD1-CB 3.49Å; D166-R168 WeakPolarHBondContact OD1-CG 3.43Å; D166-R168 PolarHBondContact OD1-N 3.1Å; D166-R168 IonicContact OD1-NE 3.84Å; D166-R168 PolarHBondContact OD1-NE 3.29Å; D166-R168 VanDerWaalsContact OD1-NE 3.14Å; D166-R168 IonicContact OD1-NH2 3.43Å; D166-R168 IonicContact OD2-CZ 2.96Å; D166-R168 VanDerWaalsContact OD2-CZ 3.31Å; D166-R168 IonicContact OD2-NE 2.71Å; D166-R168 PolarHBondContact OD2-NE 2.84Å; D166-R168 VanDerWaalsContact OD2-NE 3.09Å; D166-R168 IonicContact OD2-NH2 2.72Å; D166-R168 PolarHBondContact OD2-NH2 2.87Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-W171 PolarHBondContact O-NE1 2.86Å
169	A	90.6	Very high	91.9	Very high	7 Å²	7	46.9 Å²	46.9	6%	0.058	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-83.3	-6	175.7	0	0	0	0	0	113.3	D166 C167 W171 L172 M173 L199	D166-A169 WeakPolarHBondContact O-CB 3.49Å; D166-A169 PolarHBondContact O-N 3.45Å; C167-A169 PolarHBondContact O-N 3.06Å; A169-W171 VanDerWaalsContact C-N 3.35Å; A169-W171 PolarHBondContact O-N 2.87Å; A169-L172 PolarHBondContact O-N 3Å; A169-L172 VanDerWaalsContact O-N 3.11Å; A169-M173 PolarHBondContact O-N 2.86Å; A169-L199 HydrophobicContact CB-CD1 4.48Å; A169-L199 HydrophobicContact CB-CD2 4.39Å
170	K	88.1	Confident	91.7	Very high	55 Å²	55	48.3 Å²	48.3	24%	0.239	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-41.7	-176.5	178.8	169.9	166.7	-163.5	0	113	C167 R168 L172 M173 M174 L205 E208 C209 T538	C167-K170 VanDerWaalsContact O-CB 3.26Å; C167-K170 WeakPolarHBondContact O-CB 3.36Å; C167-K170 PolarHBondContact O-N 3.03Å; R168-K170 VanDerWaalsContact C-N 3.32Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.96Å; K170-M173 PolarHBondContact O-N 2.98Å; K170-M174 HydrophobicContact CG-SD 4.31Å; K170-M174 WeakPolarHBondContact O-CG 3.47Å; K170-M174 PolarHBondContact O-N 3.09Å; K170-L205 VanDerWaalsContact CA-CD1 3.48Å; K170-L205 HydrophobicContact CB-CD1 4Å; K170-E208 PolarHBondContact NZ-O 2.9Å; K170-C209 HydrophobicContact CD-CB 3.84Å; K170-C209 WeakPolarHBondContact CD-SG 3.5Å; K170-T538 HydrophobicContact CB-CG2 4.13Å; K170-T538 HydrophobicContact CD-CG2 3.8Å; K170-T538 HydrophobicContact CG-CG2 4.36Å
171	W	90	Very high	91.6	Very high	28 Å²	28	46.9 Å²	46.9	11%	0.106	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.8	79.2	-95.1	0	0	0	111	L142 P143 R144 V146 F147 R168 A169 M174 W175	L142-W171 HydrophobicContact CB-CH2 4.39Å; L142-W171 HydrophobicContact CB-CZ2 3.68Å; L142-W171 WeakPolarHBondContact O-CZ2 3.43Å; L142-W171 PolarHBondContact O-NE1 3.26Å; P143-W171 WeakPolarHBondContact O-CZ2 3.26Å; R144-W171 HydrophobicContact CB-CD2 4.48Å; R144-W171 HydrophobicContact CB-CG 4.09Å; R144-W171 HydrophobicContact CG-CB 4Å; R144-W171 HydrophobicContact CG-CD2 4.45Å; R144-W171 HydrophobicContact CG-CG 3.95Å; V146-W171 HydrophobicContact CG1-CH2 3.71Å; V146-W171 HydrophobicContact CG1-CZ2 4.12Å; F147-W171 AromaticContact CD2-CH2 3.86Å; F147-W171 HydrophobicContact CD2-CH2 3.86Å; F147-W171 HydrophobicContact CD2-CZ3 4.02Å; F147-W171 AromaticContact CE2-CH2 3.83Å; F147-W171 HydrophobicContact CE2-CH2 3.83Å; F147-W171 HydrophobicContact CE2-CZ3 4.34Å; R168-W171 PolarHBondContact O-NE1 2.86Å; A169-W171 VanDerWaalsContact C-N 3.35Å; A169-W171 PolarHBondContact O-N 2.87Å; W171-M174 PolarHBondContact O-N 3.26Å; W171-W175 HydrophobicContact CE3-CB 4.21Å; W171-W175 HydrophobicContact CZ3-CB 4.22Å; W171-W175 HydrophobicContact CZ3-CG 4.35Å; W171-W175 VanDerWaalsContact O-CB 3.31Å; W171-W175 WeakPolarHBondContact O-CB 3.21Å; W171-W175 PolarHBondContact O-N 2.88Å
172	L	93	Very high	91.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-43.5	-179.9	179.7	61.3	0	0	0	110.3	F147 F163 A169 K170 M174 W175 L176 L199	F147-L172 HydrophobicContact CE2-CD1 4.1Å; F163-L172 HydrophobicContact CD1-CD2 4.32Å; F163-L172 HydrophobicContact CE1-CD2 3.89Å; F163-L172 HydrophobicContact CZ-CD2 4.35Å; A169-L172 PolarHBondContact O-N 3Å; A169-L172 VanDerWaalsContact O-N 3.11Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.96Å; L172-M174 VanDerWaalsContact C-N 3.32Å; L172-M174 PolarHBondContact O-N 2.73Å; L172-W175 HydrophobicContact CD1-CE3 4.17Å; L172-W175 PolarHBondContact O-N 3.04Å; L172-L176 HydrophobicContact CD1-CG 4.3Å; L172-L176 HydrophobicContact CG-CD1 4.24Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.37Å; L172-L176 PolarHBondContact O-N 2.86Å; L172-L199 HydrophobicContact CB-CD2 4.32Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 4.04Å
173	M	91.4	Very high	91.5	Very high	11 Å²	11	51.1 Å²	51.1	5%	0.054	26%	0.264	C	S	.	.	H	α-helix	trans	-55.2	-47	172.5	-177.4	-170.3	71.3	0	0	111.7	A169 K170 L176 K177 L199 M202 L205	A169-M173 PolarHBondContact O-N 2.86Å; K170-M173 PolarHBondContact O-N 2.98Å; M173-L176 PolarHBondContact O-N 2.55Å; M173-K177 WeakPolarHBondContact O-CG 3.44Å; M173-K177 PolarHBondContact O-N 2.8Å; M173-L199 HydrophobicContact CB-CD1 3.89Å; M173-L199 HydrophobicContact CB-CD2 4.32Å; M173-L199 HydrophobicContact CB-CG 3.85Å; M173-L199 HydrophobicContact CG-CD1 4.23Å; M173-L199 HydrophobicContact CG-CG 4.25Å; M173-L199 WeakPolarHBondContact CG-O 3.14Å; M173-M202 HydrophobicContact SD-CB 3.91Å; M173-L205 HydrophobicContact CB-CD1 3.94Å; M173-L205 HydrophobicContact CE-CD1 3.99Å; M173-L205 HydrophobicContact CG-CD1 4.36Å; M173-L205 HydrophobicContact SD-CD1 3.6Å; M173-L205 VanDerWaalsContact SD-CD1 3.6Å; M173-L205 HydrophobicContact SD-CG 4.05Å
174	M	89.1	Confident	91.4	Very high	107 Å²	107	52.3 Å²	52.3	53%	0.527	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-39.9	178.2	-71.9	-179.9	57.3	0	0	112.4	K170 W171 L172 K177 S178	K170-M174 HydrophobicContact CG-SD 4.31Å; K170-M174 WeakPolarHBondContact O-CG 3.47Å; K170-M174 PolarHBondContact O-N 3.09Å; W171-M174 PolarHBondContact O-N 3.26Å; L172-M174 VanDerWaalsContact C-N 3.32Å; L172-M174 PolarHBondContact O-N 2.73Å; M174-K177 PolarHBondContact O-N 3.31Å; M174-S178 PolarHBondContact O-N 2.63Å; M174-S178 PolarHBondContact O-OG 3.25Å
175	W	92.4	Very high	91.4	Very high	53 Å²	53	53.4 Å²	53.4	20%	0.201	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-44	177.1	-177.4	88.4	0	0	0	111.3	F147 L153 L156 W171 L172 K177 S178 T179 V183	F147-W175 HydrophobicContact CB-CZ2 4.27Å; F147-W175 HydrophobicContact CD2-CD2 4.08Å; F147-W175 AromaticContact CD2-CE2 3.94Å; F147-W175 HydrophobicContact CD2-CE3 4.21Å; F147-W175 HydrophobicContact CD2-CH2 4.11Å; F147-W175 AromaticContact CD2-CZ2 3.97Å; F147-W175 HydrophobicContact CD2-CZ2 3.97Å; F147-W175 HydrophobicContact CD2-CZ3 4.22Å; F147-W175 HydrophobicContact CE2-CE3 4.43Å; F147-W175 HydrophobicContact CE2-CH2 4.48Å; F147-W175 HydrophobicContact CE2-CZ3 4.31Å; F147-W175 HydrophobicContact CG-CZ2 4.39Å; L153-W175 HydrophobicContact CD2-CH2 4.19Å; L153-W175 HydrophobicContact CD2-CZ2 4.21Å; L156-W175 HydrophobicContact CD2-CH2 3.53Å; L156-W175 HydrophobicContact CD2-CZ3 3.55Å; W171-W175 HydrophobicContact CE3-CB 4.21Å; W171-W175 HydrophobicContact CZ3-CB 4.22Å; W171-W175 HydrophobicContact CZ3-CG 4.35Å; W171-W175 VanDerWaalsContact O-CB 3.31Å; W171-W175 WeakPolarHBondContact O-CB 3.21Å; W171-W175 PolarHBondContact O-N 2.88Å; L172-W175 HydrophobicContact CD1-CE3 4.17Å; L172-W175 PolarHBondContact O-N 3.04Å; W175-K177 PolarHBondContact O-N 2.9Å; W175-S178 PolarHBondContact O-N 2.7Å; W175-S178 PolarHBondContact O-OG 2.9Å; W175-T179 HydrophobicContact CD2-CG2 4.4Å; W175-T179 HydrophobicContact CE3-CG2 4.1Å; W175-T179 HydrophobicContact CH2-CG2 3.96Å; W175-T179 HydrophobicContact CZ2-CG2 4.27Å; W175-T179 HydrophobicContact CZ3-CG2 3.88Å; W175-T179 WeakPolarHBondContact O-CB 3.47Å; W175-T179 WeakPolarHBondContact O-CG2 2.99Å; W175-T179 PolarHBondContact O-N 2.86Å; W175-V183 HydrophobicContact CH2-CG2 4.09Å; W175-V183 HydrophobicContact CZ3-CG2 3.82Å
176	L	93.1	Very high	91.5	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-34.1	176.1	-72.7	170.9	0	0	0	113.1	L172 M173 V183 V186 L199 N200	L172-L176 HydrophobicContact CD1-CG 4.3Å; L172-L176 HydrophobicContact CG-CD1 4.24Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.37Å; L172-L176 PolarHBondContact O-N 2.86Å; M173-L176 PolarHBondContact O-N 2.55Å; L176-V183 HydrophobicContact CD2-CB 3.81Å; L176-V183 HydrophobicContact CD2-CG1 3.47Å; L176-V183 VanDerWaalsContact CD2-CG1 3.47Å; L176-V183 HydrophobicContact CD2-CG2 4.02Å; L176-V186 HydrophobicContact CD1-CB 4.22Å; L176-V186 HydrophobicContact CD1-CG2 4.03Å; L176-V186 HydrophobicContact CD2-CG2 4.46Å; L176-L199 HydrophobicContact CD1-CB 4.29Å; L176-L199 HydrophobicContact CD1-CD2 4.02Å; L176-L199 HydrophobicContact CD1-CG 4.26Å; L176-N200 HydrophobicContact CB-CB 4.42Å; L176-N200 HydrophobicContact CD1-CB 4.48Å
177	K	90.3	Very high	91.9	Very high	101 Å²	101	54.3 Å²	54.3	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-78.3	-21.1	178.1	-71.5	-176.2	177.8	-166.8	0	114.4	M173 M174 W175 N200 M202	M173-K177 WeakPolarHBondContact O-CG 3.44Å; M173-K177 PolarHBondContact O-N 2.8Å; M174-K177 PolarHBondContact O-N 3.31Å; W175-K177 PolarHBondContact O-N 2.9Å; K177-N200 VanDerWaalsContact CE-O 3.26Å; K177-N200 WeakPolarHBondContact CE-O 3.5Å; K177-N200 VanDerWaalsContact CG-OD1 3.27Å; K177-N200 WeakPolarHBondContact CG-OD1 3.37Å; K177-M202 VanDerWaalsContact CE-O 3.23Å; K177-M202 WeakPolarHBondContact CE-O 3.4Å; K177-M202 PolarHBondContact NZ-O 3.31Å
178	S	90.9	Very high	92.3	Very high	84 Å²	84	53.2 Å²	53.2	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-111.3	-20.3	-172.1	53.4	0	0	0	0	113.5	M174 W175	M174-S178 PolarHBondContact O-N 2.63Å; M174-S178 PolarHBondContact O-OG 3.25Å; W175-S178 PolarHBondContact O-N 2.7Å; W175-S178 PolarHBondContact O-OG 2.9Å
179	T	91.9	Very high	92.7	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.202	28%	0.276	C	S	.	.			trans	-68.5	146.2	178.3	-170.5	0	0	0	0	111.8	W175 S181 V183	W175-T179 HydrophobicContact CD2-CG2 4.4Å; W175-T179 HydrophobicContact CE3-CG2 4.1Å; W175-T179 HydrophobicContact CH2-CG2 3.96Å; W175-T179 HydrophobicContact CZ2-CG2 4.27Å; W175-T179 HydrophobicContact CZ3-CG2 3.88Å; W175-T179 WeakPolarHBondContact O-CB 3.47Å; W175-T179 WeakPolarHBondContact O-CG2 2.99Å; W175-T179 PolarHBondContact O-N 2.86Å; T179-S181 PolarHBondContact OG1-N 2.89Å; T179-S181 PolarHBondContact OG1-OG 2.58Å; T179-V183 HydrophobicContact CG2-CG2 3.92Å
180	N	92.8	Very high	92.7	Very high	171 Å²	171	49.7 Å²	49.7	91%	0.914	28%	0.275	S	S	*	.			trans	-89.2	-8.6	170.7	-65.6	-38.2	0	0	0	112.3
181	S	93.9	Very high	92.8	Very high	18 Å²	18	49.6 Å²	49.6	13%	0.126	28%	0.28	C	S	.	.	S	Bend	trans	-70.1	147.1	178.4	-45	0	0	0	0	110.8	L153 I154 T179 V183	L153-S181 WeakPolarHBondContact O-CB 3.37Å; L153-S181 PolarHBondContact O-OG 3.11Å; I154-S181 CarbonylContact O-C 3.15Å; I154-S181 WeakPolarHBondContact O-CA 3.35Å; T179-S181 PolarHBondContact OG1-N 2.89Å; T179-S181 PolarHBondContact OG1-OG 2.58Å; S181-V183 PolarHBondContact O-N 3.45Å
182	T	95.6	Very high	92.6	Very high	100 Å²	100	55.1 Å²	55.1	61%	0.613	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.9	168.7	-57.9	0	0	0	0	108.5	I154 E155 L156	I154-T182 PolarHBondContact O-N 2.83Å; E155-T182 WeakPolarHBondContact CA-O 3.44Å; L156-T182 PolarHBondContact N-O 3.35Å
183	V	95.8	Very high	92.1	Very high	35 Å²	35	59.3 Å²	59.3	21%	0.212	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.9	-177.9	-165.7	0	0	0	0	110.4	L156 L158 W175 L176 T179 S181	L156-V183 HydrophobicContact CB-CG1 4.1Å; L156-V183 HydrophobicContact CB-CG2 4.21Å; L156-V183 HydrophobicContact CD2-CG1 4.04Å; L156-V183 HydrophobicContact CG-CG1 4.11Å; L156-V183 VanDerWaalsContact O-CA 3.32Å; L156-V183 WeakPolarHBondContact O-CA 3.38Å; L156-V183 WeakPolarHBondContact O-CG1 3.36Å; L158-V183 HydrophobicContact CD1-CG1 4.37Å; W175-V183 HydrophobicContact CH2-CG2 4.09Å; W175-V183 HydrophobicContact CZ3-CG2 3.82Å; L176-V183 HydrophobicContact CD2-CB 3.81Å; L176-V183 HydrophobicContact CD2-CG1 3.47Å; L176-V183 VanDerWaalsContact CD2-CG1 3.47Å; L176-V183 HydrophobicContact CD2-CG2 4.02Å; T179-V183 HydrophobicContact CG2-CG2 3.92Å; S181-V183 PolarHBondContact O-N 3.45Å
184	S	94.8	Very high	92	Very high	30 Å²	30	59.8 Å²	59.8	21%	0.21	34%	0.337	C	S	.	.			trans	-60.5	153.5	173.2	68.5	0	0	0	0	111.9	L156 D157 L158 R159 V186	L156-S184 PolarHBondContact O-N 3.29Å; D157-S184 WeakPolarHBondContact OD1-CB 3.36Å; D157-S184 PolarHBondContact OD1-OG 3.47Å; L158-S184 PolarHBondContact N-OG 3.13Å; R159-S184 PolarHBondContact N-OG 2.8Å; S184-V186 PolarHBondContact O-N 2.8Å; S184-V186 VanDerWaalsContact O-N 3.13Å
185	D	92.4	Very high	92.1	Very high	85 Å²	85	61.3 Å²	61.3	46%	0.455	34%	0.341	S	S	.	.			trans	-55.5	118	175.1	-74.5	-33.4	0	0	0	112.1	R198	D185-R198 IonicContact OD1-CZ 2.71Å; D185-R198 IonicContact OD1-NH1 3.96Å; D185-R198 PolarHBondContact OD1-NH1 3.42Å; D185-R198 IonicContact OD2-CZ 2.94Å; D185-R198 IonicContact OD2-NE 3.32Å; D185-R198 IonicContact OD2-NH1 2.67Å; D185-R198 PolarHBondContact OD2-NH1 2.87Å; D185-R198 IonicContact OD2-NH2 3.69Å; D185-R198 PolarHBondContact OD2-NH2 2.93Å
186	V	94.9	Very high	92.1	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.03	36%	0.358	C	S	.	.			trans	-89.9	106.9	171.9	179	0	0	0	0	108.8	L158 F163 L176 S184 R198 L199	L158-V186 HydrophobicContact CB-CG2 4.08Å; L158-V186 HydrophobicContact CD1-CG2 3.72Å; F163-V186 HydrophobicContact CB-CG1 4.34Å; F163-V186 HydrophobicContact CD2-CG1 3.56Å; F163-V186 HydrophobicContact CE2-CG1 3.91Å; F163-V186 HydrophobicContact CG-CG1 3.93Å; L176-V186 HydrophobicContact CD1-CB 4.22Å; L176-V186 HydrophobicContact CD1-CG2 4.03Å; L176-V186 HydrophobicContact CD2-CG2 4.46Å; S184-V186 PolarHBondContact O-N 2.8Å; S184-V186 VanDerWaalsContact O-N 3.13Å; V186-R198 WeakPolarHBondContact O-CA 3.43Å; V186-L199 HydrophobicContact CB-CB 4.12Å; V186-L199 HydrophobicContact CG1-CB 3.97Å; V186-L199 HydrophobicContact CG1-CD2 3.93Å; V186-L199 PolarHBondContact O-N 3.17Å
187	V	95.3	Very high	92.1	Very high	65 Å²	65	65.8 Å²	65.8	39%	0.394	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-101.6	131.8	-179.9	-176.2	0	0	0	0	110.1	R198	V187-R198 HydrophobicContact CG2-CG 4.44Å
188	C	95.2	Very high	92.2	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.014	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129	-179.2	-57.7	0	0	0	0	111.5	C165 M194 K195 G196 K197 M202	C165-C188 HydrophobicContact CB-CB 3.64Å; C165-C188 WeakPolarHBondContact CB-SG 3.25Å; C165-C188 WeakPolarHBondContact SG-CA 3.48Å; C165-C188 WeakPolarHBondContact SG-CB 3.17Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 2.84Å; C188-M194 HydrophobicContact CB-CB 4.29Å; C188-M194 VanDerWaalsContact CB-O 3.26Å; C188-M194 WeakPolarHBondContact CB-O 3.32Å; C188-K195 WeakPolarHBondContact O-CA 3.33Å; C188-G196 PolarHBondContact O-N 2.94Å; C188-K197 PolarHBondContact N-O 3.35Å; C188-K197 PolarHBondContact SG-O 3.17Å; C188-K197 VanDerWaalsContact SG-O 3.39Å; C188-M202 WeakPolarHBondContact SG-CE 3.43Å
189	A	96.2	Very high	92.2	Very high	40 Å²	40	62.4 Å²	62.4	33%	0.331	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-30	171.7	0	0	0	0	0	112.3	A162 F163 K195	A162-A189 HydrophobicContact CB-CB 4.08Å; F163-A189 PolarHBondContact O-N 2.84Å; A189-K195 WeakPolarHBondContact O-CG 3.36Å
190	G	90.4	Very high	92	Very high	5 Å²	5	64.3 Å²	64.3	5%	0.052	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	177	176	0	0	0	0	0	111.3	F163 E164 C165	F163-G190 PolarHBondContact O-N 3.08Å; E164-G190 VanDerWaalsContact OE2-C 3.3Å; E164-G190 VanDerWaalsContact OE2-CA 3.28Å; E164-G190 WeakPolarHBondContact OE2-CA 3.33Å; C165-G190 PolarHBondContact N-O 2.92Å
191	P	88.8	Confident	91.7	Very high	53 Å²	53	61.4 Å²	61.4	34%	0.344	34%	0.341	S	S	.	.	S	Bend	cis	-62.8	172.4	-11.3	23.3	-29.8	0	0	0	113	D193 M194 K195	P191-D193 WeakPolarHBondContact CB-OD1 3.31Å; P191-D193 VanDerWaalsContact CG-OD1 3.29Å; P191-D193 WeakPolarHBondContact CG-OD1 3.36Å; P191-D193 PolarHBondContact O-N 3.32Å; P191-D193 VanDerWaalsContact O-N 3.12Å; P191-M194 HydrophobicContact CG-CB 4.43Å; P191-M194 HydrophobicContact CG-CG 4.16Å; P191-M194 CarbonylContact O-C 3.48Å; P191-M194 WeakPolarHBondContact O-CA 3.25Å; P191-M194 PolarHBondContact O-N 3.37Å; P191-K195 PolarHBondContact O-N 2.82Å
192	D	86.3	Confident	91.1	Very high	145 Å²	145	61.4 Å²	61.4	78%	0.775	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-34	-169.3	-79	-34.4	0	0	0	114.4	M194	D192-M194 VanDerWaalsContact C-N 3.3Å; D192-M194 PolarHBondContact O-N 2.9Å
193	D	83.3	Confident	90	Very high	90 Å²	90	64 Å²	64	48%	0.481	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.1	175.8	63.9	-45.5	0	0	0	113.5	P191 K197	P191-D193 WeakPolarHBondContact CB-OD1 3.31Å; P191-D193 VanDerWaalsContact CG-OD1 3.29Å; P191-D193 WeakPolarHBondContact CG-OD1 3.36Å; P191-D193 PolarHBondContact O-N 3.32Å; P191-D193 VanDerWaalsContact O-N 3.12Å; D193-K197 WeakPolarHBondContact O-CE 3.41Å; D193-K197 PolarHBondContact O-NZ 3.04Å
194	M	88.1	Confident	88.6	Confident	21 Å²	21	66.3 Å²	66.3	10%	0.103	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-15.5	178.7	-63.7	-59.2	171.8	0	0	113.5	C165 C188 P191 D192 G196 K197 M202	C165-M194 HydrophobicContact CB-CB 4.2Å; C188-M194 HydrophobicContact CB-CB 4.29Å; C188-M194 VanDerWaalsContact CB-O 3.26Å; C188-M194 WeakPolarHBondContact CB-O 3.32Å; P191-M194 HydrophobicContact CG-CB 4.43Å; P191-M194 HydrophobicContact CG-CG 4.16Å; P191-M194 CarbonylContact O-C 3.48Å; P191-M194 WeakPolarHBondContact O-CA 3.25Å; P191-M194 PolarHBondContact O-N 3.37Å; D192-M194 VanDerWaalsContact C-N 3.3Å; D192-M194 PolarHBondContact O-N 2.9Å; M194-G196 PolarHBondContact O-N 3.33Å; M194-K197 WeakPolarHBondContact O-CB 3.47Å; M194-K197 PolarHBondContact O-N 2.94Å; M194-K197 VanDerWaalsContact O-N 3.08Å; M194-K197 HydrophobicContact SD-CD 4.23Å; M194-M202 HydrophobicContact SD-CE 3.97Å; M194-M202 HydrophobicContact SD-SD 4.36Å
195	K	92.6	Very high	87.3	Confident	138 Å²	138	65.2 Å²	65.2	60%	0.6	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.4	-175.9	-171.9	169.8	-174.9	172.6	0	112.9	C188 A189 P191 K197	C188-K195 WeakPolarHBondContact O-CA 3.33Å; A189-K195 WeakPolarHBondContact O-CG 3.36Å; P191-K195 PolarHBondContact O-N 2.82Å; K195-K197 VanDerWaalsContact C-N 3.28Å; K195-K197 PolarHBondContact O-N 3.47Å
196	G	92.7	Very high	85.5	Confident	55 Å²	55	67 Å²	67	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-7	178.9	0	0	0	0	0	115.3	C188 M194	C188-G196 PolarHBondContact O-N 2.94Å; M194-G196 PolarHBondContact O-N 3.33Å
197	K	92.2	Very high	83.7	Confident	106 Å²	106	72.4 Å²	72.4	46%	0.461	39%	0.393	S	S	.	.			trans	-79.2	150.1	174.1	-62.9	177	-177.9	160.8	0	110.7	C188 D193 M194 K195 M202	C188-K197 PolarHBondContact N-O 3.35Å; C188-K197 PolarHBondContact SG-O 3.17Å; C188-K197 VanDerWaalsContact SG-O 3.39Å; D193-K197 WeakPolarHBondContact O-CE 3.41Å; D193-K197 PolarHBondContact O-NZ 3.04Å; M194-K197 WeakPolarHBondContact O-CB 3.47Å; M194-K197 PolarHBondContact O-N 2.94Å; M194-K197 VanDerWaalsContact O-N 3.08Å; M194-K197 HydrophobicContact SD-CD 4.23Å; K195-K197 VanDerWaalsContact C-N 3.28Å; K195-K197 PolarHBondContact O-N 3.47Å; K197-M202 HydrophobicContact CB-CE 3.37Å; K197-M202 HydrophobicContact CD-CE 4.08Å; K197-M202 HydrophobicContact CG-CE 4.37Å
198	R	93.3	Very high	82.2	Confident	114 Å²	114	76.5 Å²	76.5	43%	0.43	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-85.5	130.1	174.4	-66.4	171.7	178.3	-137.6	-8.9	109.4	D185 V186 V187 N200 D201 M202	D185-R198 IonicContact OD1-CZ 2.71Å; D185-R198 IonicContact OD1-NH1 3.96Å; D185-R198 PolarHBondContact OD1-NH1 3.42Å; D185-R198 IonicContact OD2-CZ 2.94Å; D185-R198 IonicContact OD2-NE 3.32Å; D185-R198 IonicContact OD2-NH1 2.67Å; D185-R198 PolarHBondContact OD2-NH1 2.87Å; D185-R198 IonicContact OD2-NH2 3.69Å; D185-R198 PolarHBondContact OD2-NH2 2.93Å; V186-R198 WeakPolarHBondContact O-CA 3.43Å; V187-R198 HydrophobicContact CG2-CG 4.44Å; R198-N200 VanDerWaalsContact C-N 3.34Å; R198-N200 PolarHBondContact O-N 3.49Å; R198-D201 HydrophobicContact CB-CB 4.27Å; R198-D201 WeakPolarHBondContact CB-OD2 3.12Å; R198-D201 WeakPolarHBondContact CD-OD2 3.47Å; R198-D201 PolarHBondContact O-N 3.4Å; R198-M202 WeakPolarHBondContact O-CG 3.48Å
199	L	90.9	Very high	81.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.408	C	S	.	.	S	Bend	trans	-63.3	-38.7	-176.7	-171.8	60.6	0	0	0	112.1	C165 A169 L172 M173 L176 V186 D201 M202 L205	C165-L199 HydrophobicContact CB-CD1 4.33Å; A169-L199 HydrophobicContact CB-CD1 4.48Å; A169-L199 HydrophobicContact CB-CD2 4.39Å; L172-L199 HydrophobicContact CB-CD2 4.32Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 4.04Å; M173-L199 HydrophobicContact CB-CD1 3.89Å; M173-L199 HydrophobicContact CB-CD2 4.32Å; M173-L199 HydrophobicContact CB-CG 3.85Å; M173-L199 HydrophobicContact CG-CD1 4.23Å; M173-L199 HydrophobicContact CG-CG 4.25Å; M173-L199 WeakPolarHBondContact CG-O 3.14Å; L176-L199 HydrophobicContact CD1-CB 4.29Å; L176-L199 HydrophobicContact CD1-CD2 4.02Å; L176-L199 HydrophobicContact CD1-CG 4.26Å; V186-L199 HydrophobicContact CB-CB 4.12Å; V186-L199 HydrophobicContact CG1-CB 3.97Å; V186-L199 HydrophobicContact CG1-CD2 3.93Å; V186-L199 PolarHBondContact O-N 3.17Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.22Å; L199-M202 HydrophobicContact CD1-SD 4.05Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 3.42Å; L199-L205 HydrophobicContact CD1-CD1 4.08Å; L199-L205 HydrophobicContact CD1-CD2 4.39Å
200	N	87.1	Confident	80.3	Confident	72 Å²	72	76.6 Å²	76.6	39%	0.385	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.8	-177.7	-160.1	20.7	0	0	0	113.4	L176 K177 R198 M202	L176-N200 HydrophobicContact CB-CB 4.42Å; L176-N200 HydrophobicContact CD1-CB 4.48Å; K177-N200 VanDerWaalsContact CE-O 3.26Å; K177-N200 WeakPolarHBondContact CE-O 3.5Å; K177-N200 VanDerWaalsContact CG-OD1 3.27Å; K177-N200 WeakPolarHBondContact CG-OD1 3.37Å; R198-N200 VanDerWaalsContact C-N 3.34Å; R198-N200 PolarHBondContact O-N 3.49Å; N200-M202 VanDerWaalsContact C-N 3.25Å; N200-M202 PolarHBondContact O-N 3.23Å
201	D	86.5	Confident	80	Confident	110 Å²	110	77.8 Å²	77.8	59%	0.588	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.5	-178.1	-61.9	-12.1	0	0	0	112.5	R198 L199	R198-D201 HydrophobicContact CB-CB 4.27Å; R198-D201 WeakPolarHBondContact CB-OD2 3.12Å; R198-D201 WeakPolarHBondContact CD-OD2 3.47Å; R198-D201 PolarHBondContact O-N 3.4Å; L199-D201 VanDerWaalsContact C-N 3.31Å; L199-D201 PolarHBondContact O-N 3.22Å
202	M	80.3	Confident	80.1	Confident	19 Å²	19	75.6 Å²	75.6	9%	0.094	40%	0.398	C	S	.	.			trans	-78.2	129.6	-176.7	-62.8	-176.8	179.1	0	0	111.2	M173 K177 C188 M194 K197 R198 L199 N200 L205	M173-M202 HydrophobicContact SD-CB 3.91Å; K177-M202 VanDerWaalsContact CE-O 3.23Å; K177-M202 WeakPolarHBondContact CE-O 3.4Å; K177-M202 PolarHBondContact NZ-O 3.31Å; C188-M202 WeakPolarHBondContact SG-CE 3.43Å; M194-M202 HydrophobicContact SD-CE 3.97Å; M194-M202 HydrophobicContact SD-SD 4.36Å; K197-M202 HydrophobicContact CB-CE 3.37Å; K197-M202 HydrophobicContact CD-CE 4.08Å; K197-M202 HydrophobicContact CG-CE 4.37Å; R198-M202 WeakPolarHBondContact O-CG 3.48Å; L199-M202 HydrophobicContact CD1-SD 4.05Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 3.42Å; N200-M202 VanDerWaalsContact C-N 3.25Å; N200-M202 PolarHBondContact O-N 3.23Å; M202-L205 HydrophobicContact SD-CD2 4.45Å
203	N	72.4	Confident	80.4	Confident	155 Å²	155	70.4 Å²	70.4	83%	0.829	37%	0.37	S	S	*	.	S	Bend	trans	-73.3	-33.6	173.4	-71.4	-25.9	0	0	0	112.5
204	S	67.8	Low	81	Confident	82 Å²	82	66.2 Å²	66.2	57%	0.573	35%	0.348	S	S	*	.			trans	-153	143.3	174.8	63.1	0	0	0	0	110.6
205	L	66.4	Low	81.3	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.037	36%	0.361	C	S	.	.	S	Bend	trans	-77.5	139.6	155.1	-75.7	135.6	0	0	0	107.9	C165 K170 M173 L199 M202	C165-L205 VanDerWaalsContact C-CD2 3.47Å; C165-L205 HydrophobicContact CB-CD2 4.1Å; C165-L205 WeakPolarHBondContact O-CD2 3.37Å; K170-L205 VanDerWaalsContact CA-CD1 3.48Å; K170-L205 HydrophobicContact CB-CD1 4Å; M173-L205 HydrophobicContact CB-CD1 3.94Å; M173-L205 HydrophobicContact CE-CD1 3.99Å; M173-L205 HydrophobicContact CG-CD1 4.36Å; M173-L205 HydrophobicContact SD-CD1 3.6Å; M173-L205 VanDerWaalsContact SD-CD1 3.6Å; M173-L205 HydrophobicContact SD-CG 4.05Å; L199-L205 HydrophobicContact CD1-CD1 4.08Å; L199-L205 HydrophobicContact CD1-CD2 4.39Å; M202-L205 HydrophobicContact SD-CD2 4.45Å
206	H	55	Low	81.4	Confident	122 Å²	122	66.1 Å²	66.1	57%	0.565	36%	0.356	S	S	*	.	S	Bend	trans	-33.1	132.1	-174.4	-165.1	74.6	0	0	0	114.5
207	N	57	Low	81.6	Confident	119 Å²	119	66 Å²	66	64%	0.636	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	41.1	75.6	172.4	-73	-12	0	0	0	117.2	C209 T210	N207-C209 WeakPolarHBondContact O-CA 3.4Å; N207-C209 PolarHBondContact O-N 2.84Å; N207-T210 PolarHBondContact O-N 2.9Å
208	E	63.9	Low	81.9	Confident	152 Å²	152	63.2 Å²	63.2	71%	0.71	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	43.4	2.9	169.5	-70.7	-167.8	166.9	0	0	118.7	K170 T210	K170-E208 PolarHBondContact NZ-O 2.9Å; E208-T210 HydrophobicContact CB-CG2 4.37Å; E208-T210 PolarHBondContact O-N 2.75Å
209	C	75.6	Confident	82.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	44.5	34.8	-160	-55	0	0	0	0	114.2	C167 K170 N207 L537 T538	C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.74Å; C167-C209 VanDerWaalsContact CB-SG 3.5Å; C167-C209 PolarHBondContact SG-SG 3.11Å; K170-C209 HydrophobicContact CD-CB 3.84Å; K170-C209 WeakPolarHBondContact CD-SG 3.5Å; N207-C209 WeakPolarHBondContact O-CA 3.4Å; N207-C209 PolarHBondContact O-N 2.84Å; C209-L537 HydrophobicContact CB-CB 4.41Å; C209-L537 WeakPolarHBondContact O-CB 3.05Å; C209-L537 PolarHBondContact O-N 3.41Å; C209-T538 HydrophobicContact CB-CG2 3.41Å; C209-T538 VanDerWaalsContact CB-CG2 3.41Å
210	T	75.7	Confident	82.3	Confident	43 Å²	43	61 Å²	61	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	176.6	58.7	0	0	0	0	110.5	N207 E208 R469 I535	N207-T210 PolarHBondContact O-N 2.9Å; E208-T210 HydrophobicContact CB-CG2 4.37Å; E208-T210 PolarHBondContact O-N 2.75Å; T210-R469 PolarHBondContact O-NH2 2.72Å; T210-I535 WeakPolarHBondContact CA-O 3.3Å
211	S	84.3	Confident	82.7	Confident	31 Å²	31	62 Å²	62	22%	0.217	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-176.4	168.9	-165	0	0	0	0	109.5	I534 I535	S211-I534 WeakPolarHBondContact O-CA 3.44Å; S211-I535 PolarHBondContact N-O 2.91Å; S211-I535 PolarHBondContact O-N 2.93Å
212	T	90.9	Very high	83	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.7	173.1	54.1	0	0	0	0	109.6	Y471 F496 H532 I533	T212-Y471 WeakPolarHBondContact CB-OH 3.49Å; T212-Y471 PolarHBondContact OG1-OH 3.46Å; T212-F496 VanDerWaalsContact O-CZ 3.3Å; T212-F496 WeakPolarHBondContact O-CZ 3.48Å; T212-F496 WeakPolarHBondContact OG1-CZ 3.23Å; T212-H532 VanDerWaalsContact CB-NE2 3.35Å; T212-H532 WeakPolarHBondContact CB-NE2 3.23Å; T212-H532 WeakPolarHBondContact CG2-NE2 3.45Å; T212-I533 CarbonylContact C-O 3.57Å; T212-I533 WeakPolarHBondContact CA-O 3.03Å; T212-I533 WeakPolarHBondContact CB-O 3.43Å
213	D	92.5	Very high	83.7	Confident	37 Å²	37	60.2 Å²	60.2	20%	0.198	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161.8	168	-162.4	20.6	0	0	0	112	K497 H532 I533 I535	D213-K497 WeakPolarHBondContact OD1-CD 3.28Å; D213-K497 WeakPolarHBondContact OD1-CE 3.18Å; D213-K497 IonicContact OD1-NZ 3.97Å; D213-K497 PolarHBondContact OD1-NZ 2.81Å; D213-K497 IonicContact OD2-NZ 2.75Å; D213-K497 PolarHBondContact OD2-NZ 2.97Å; D213-H532 WeakPolarHBondContact O-CA 3.13Å; D213-I533 HydrophobicContact CB-CD1 4.3Å; D213-I533 HydrophobicContact CB-CG1 3.92Å; D213-I533 PolarHBondContact N-O 2.97Å; D213-I533 PolarHBondContact O-N 2.92Å; D213-I535 HydrophobicContact CB-CD1 3.44Å; D213-I535 VanDerWaalsContact CB-CD1 3.44Å; D213-I535 HydrophobicContact CB-CG1 4.08Å
214	F	95.1	Very high	84.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	107.5	172.9	-63.7	-81.9	0	0	0	109.4	F464 F466 Y471 I483 F496 K497 I518 F530 E531 H532	F214-F464 AromaticContact CE1-CE2 3.81Å; F214-F464 HydrophobicContact CE1-CE2 3.81Å; F214-F464 HydrophobicContact CE1-CZ 4.17Å; F214-F464 HydrophobicContact CE2-CZ 4.45Å; F214-F464 AromaticContact CZ-CE2 3.57Å; F214-F464 HydrophobicContact CZ-CE2 3.57Å; F214-F464 AromaticContact CZ-CZ 3.75Å; F214-F464 HydrophobicContact CZ-CZ 3.75Å; F214-F466 HydrophobicContact CE1-CD2 4.23Å; F214-F466 AromaticContact CE1-CE2 3.9Å; F214-F466 HydrophobicContact CE1-CE2 3.9Å; F214-F466 HydrophobicContact CZ-CD2 4.47Å; F214-Y471 AromaticContact CE2-CD1 3.98Å; F214-Y471 HydrophobicContact CE2-CD1 3.98Å; F214-Y471 AromaticContact CE2-CE1 3.82Å; F214-Y471 HydrophobicContact CE2-CE1 3.82Å; F214-Y471 HydrophobicContact CZ-CD1 4.04Å; F214-Y471 HydrophobicContact CZ-CD2 4.34Å; F214-Y471 AromaticContact CZ-CE1 3.97Å; F214-Y471 HydrophobicContact CZ-CE1 3.97Å; F214-Y471 HydrophobicContact CZ-CE2 4.29Å; F214-Y471 HydrophobicContact CZ-CG 4.23Å; F214-I483 HydrophobicContact CB-CD1 4.33Å; F214-I483 HydrophobicContact CD2-CD1 3.56Å; F214-I483 HydrophobicContact CD2-CG2 4.42Å; F214-I483 HydrophobicContact CE2-CD1 3.98Å; F214-I483 HydrophobicContact CE2-CG2 3.9Å; F214-I483 HydrophobicContact CG-CD1 3.9Å; F214-F496 HydrophobicContact CD2-CD1 4.44Å; F214-F496 AromaticContact CD2-CE1 3.94Å; F214-F496 HydrophobicContact CD2-CE1 3.94Å; F214-F496 HydrophobicContact CE2-CD1 4.14Å; F214-F496 AromaticContact CE2-CE1 3.74Å; F214-F496 HydrophobicContact CE2-CE1 3.74Å; F214-K497 HydrophobicContact CB-CD 4.46Å; F214-K497 PolarHBondContact O-NZ 3.37Å; F214-I518 HydrophobicContact CD1-CG2 3.8Å; F214-I518 HydrophobicContact CE1-CG2 4.12Å; F214-F530 HydrophobicContact CB-CB 4.26Å; F214-E531 WeakPolarHBondContact CA-O 3.15Å; F214-H532 HydrophobicContact CD1-CB 4.38Å; F214-H532 HydrophobicContact CE1-CB 4.11Å; F214-H532 AromaticContact CE1-CD2 3.54Å; F214-H532 AromaticContact CZ-CD2 3.56Å
215	V	94.6	Very high	86.3	Confident	62 Å²	62	50.8 Å²	50.8	38%	0.376	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.2	-178	-178.9	0	0	0	0	109.2	H217 F530 E531 I533	V215-H217 PolarHBondContact O-N 3.49Å; V215-H217 VanDerWaalsContact O-N 3.08Å; V215-F530 CarbonylContact O-C 3.6Å; V215-F530 VanDerWaalsContact O-CA 3.22Å; V215-F530 WeakPolarHBondContact O-CA 3.29Å; V215-E531 PolarHBondContact N-O 2.87Å; V215-E531 PolarHBondContact O-N 2.78Å; V215-I533 HydrophobicContact CG2-CD1 3.53Å; V215-I533 HydrophobicContact CG2-CG1 4.05Å
216	L	96.2	Very high	87.8	Confident	94 Å²	94	51.8 Å²	51.8	49%	0.492	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	115.8	176.2	-179.5	68.7	0	0	0	109.2	Q528 F530	L216-Q528 HydrophobicContact CD1-CB 3.95Å; L216-Q528 HydrophobicContact CD1-CG 4.05Å; L216-F530 HydrophobicContact CB-CD1 4.24Å; L216-F530 HydrophobicContact CB-CE1 4.22Å; L216-F530 HydrophobicContact CD1-CD1 4.46Å; L216-F530 HydrophobicContact CD1-CE1 4.22Å; L216-F530 HydrophobicContact CD1-CZ 4.45Å
217	H	96.9	Very high	89.9	Confident	54 Å²	54	46.4 Å²	46.4	25%	0.25	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-50.4	-178.9	175.3	63.5	0	0	0	111.3	V215 M258 R515 F517 I529 E531	V215-H217 PolarHBondContact O-N 3.49Å; V215-H217 VanDerWaalsContact O-N 3.08Å; H217-M258 PolarHBondContact CE1-O 2.83Å; H217-M258 PolarHBondContact NE2-O 2.83Å; H217-R515 PolarHBondContact CE1-NH2 2.85Å; H217-R515 PolarHBondContact ND1-NH2 2.91Å; H217-F517 HydrophobicContact CB-CE1 4.46Å; H217-F517 AromaticContact CD2-CE1 3.72Å; H217-F517 AromaticContact CG-CE1 3.89Å; H217-I529 WeakPolarHBondContact CB-O 3.5Å; H217-I529 PolarHBondContact N-O 2.89Å; H217-E531 HydrophobicContact CB-CB 4.05Å
218	Q	97.3	Very high	91.9	Very high	47 Å²	47	42 Å²	42	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.8	-177.1	176.5	178.6	-16.9	0	0	110.4	F260 I529	Q218-F260 PolarHBondContact NE2-O 2.88Å; Q218-I529 HydrophobicContact CB-CB 4.25Å; Q218-I529 HydrophobicContact CB-CD1 4.01Å; Q218-I529 HydrophobicContact CG-CD1 4.09Å; Q218-I529 PolarHBondContact N-O 3.07Å; Q218-I529 WeakPolarHBondContact O-CB 3.39Å; Q218-I529 PolarHBondContact O-N 2.73Å
219	S	97	Very high	93.5	Very high	55 Å²	55	36.7 Å²	36.7	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.6	170.4	-174.1	0	0	0	0	108.8	N526	S219-N526 WeakPolarHBondContact OG-CB 3.43Å; S219-N526 PolarHBondContact OG-ND2 3.28Å
220	V	96.1	Very high	94.5	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	172.6	-179.6	0	0	0	0	107.4	S222 M249 L251 N526 T527 I529	V220-S222 PolarHBondContact O-N 2.83Å; V220-M249 HydrophobicContact CG1-CE 3.88Å; V220-L251 HydrophobicContact CG2-CD1 4.06Å; V220-N526 WeakPolarHBondContact O-CB 3.5Å; V220-T527 PolarHBondContact N-O 2.87Å; V220-T527 PolarHBondContact O-N 2.8Å; V220-I529 HydrophobicContact CG2-CD1 3.87Å; V220-I529 HydrophobicContact CG2-CG1 4.48Å
221	A	94.3	Very high	95.4	Very high	93 Å²	93	39.1 Å²	39.1	77%	0.769	24%	0.236	S	C	*	.	S	Bend	trans	-76.2	60.9	-174.5	0	0	0	0	0	112.2
222	S	93.1	Very high	95.9	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.112	23%	0.231	C	C	.	.	S	Bend	trans	-154.1	142.9	176.1	-165.7	0	0	0	0	110.2	V220 A242 T527	V220-S222 PolarHBondContact O-N 2.83Å; S222-A242 WeakPolarHBondContact OG-CB 3.22Å; S222-T527 PolarHBondContact O-N 2.76Å; S222-T527 VanDerWaalsContact O-N 3.07Å; S222-T527 PolarHBondContact O-OG1 2.77Å
223	E	96.4	Very high	96	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	25%	0.254	S	S	.	.			trans	-73.4	147	167.7	-59	167	156.3	0	0	109	A242 S244 S522 G525	E223-A242 WeakPolarHBondContact O-CA 3.48Å; E223-A242 WeakPolarHBondContact O-CB 3.47Å; E223-S244 VanDerWaalsContact OE2-CB 3.24Å; E223-S244 WeakPolarHBondContact OE2-CB 3.49Å; E223-S244 PolarHBondContact OE2-OG 2.79Å; E223-S522 CarbonylContact C-O 3.52Å; E223-S522 VanDerWaalsContact CA-O 3.24Å; E223-S522 WeakPolarHBondContact CA-O 3.23Å; E223-G525 WeakPolarHBondContact CA-O 3.49Å
224	S	97.5	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.285	C	S	.	.			trans	-147.9	155.4	-177.3	59.6	0	0	0	0	112.9	A241 S521 S522 T527	S224-A241 CarbonylContact C-O 3.56Å; S224-A241 WeakPolarHBondContact CA-O 3.12Å; S224-A241 WeakPolarHBondContact CB-O 3.49Å; S224-S521 WeakPolarHBondContact OG-CA 3.45Å; S224-S521 WeakPolarHBondContact OG-CB 3.14Å; S224-S522 PolarHBondContact N-O 3Å; S224-S522 CarbonylContact O-C 3.56Å; S224-S522 VanDerWaalsContact O-C 3.31Å; S224-S522 PolarHBondContact OG-N 2.8Å; S224-T527 WeakPolarHBondContact CB-OG1 3.08Å; S224-T527 PolarHBondContact OG-OG1 2.04Å
225	L	97.5	Very high	95.8	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.199	30%	0.295	C	S	.	.	S	Bend	trans	-104.6	-59.4	176.5	-75.7	178	0	0	0	111.2	A241 P243 V272 R505 S521 F523	L225-A241 PolarHBondContact N-O 2.71Å; L225-P243 HydrophobicContact CB-CG 4.4Å; L225-P243 HydrophobicContact CD1-CG 3.42Å; L225-P243 VanDerWaalsContact CD1-CG 3.42Å; L225-P243 HydrophobicContact CG-CG 3.59Å; L225-V272 HydrophobicContact CD1-CG1 4.2Å; L225-R505 HydrophobicContact CD2-CG 4.01Å; L225-R505 WeakPolarHBondContact O-CB 3.29Å; L225-S521 WeakPolarHBondContact O-CB 3.33Å; L225-S521 PolarHBondContact O-OG 2.66Å; L225-F523 HydrophobicContact CD2-CD2 3.32Å; L225-F523 HydrophobicContact CD2-CE2 3.73Å; L225-F523 HydrophobicContact CD2-CG 4.27Å; L225-F523 HydrophobicContact CG-CD2 4.18Å; L225-F523 HydrophobicContact CG-CE2 4.44Å
226	S	97.5	Very high	95.9	Very high	28 Å²	28	49.6 Å²	49.6	20%	0.196	28%	0.281	C	S	.	.			trans	-117.1	149.9	179.2	77.4	0	0	0	0	111.6	A241 G273 C274	S226-A241 PolarHBondContact O-N 3.2Å; S226-A241 WeakPolarHBondContact OG-CB 3.4Å; S226-G273 WeakPolarHBondContact OG-CA 3.23Å; S226-C274 PolarHBondContact OG-N 2.82Å
227	V	98.4	Very high	96	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.7	166.1	-178.1	0	0	0	0	107.6	V238 T239 I240 S506 T508 F519	V227-V238 HydrophobicContact CG1-CG1 3.4Å; V227-V238 VanDerWaalsContact CG1-CG1 3.4Å; V227-T239 CarbonylContact C-O 3.47Å; V227-T239 WeakPolarHBondContact CA-O 3.36Å; V227-I240 HydrophobicContact CG1-CG1 4.37Å; V227-I240 HydrophobicContact CG2-CG1 4.24Å; V227-I240 HydrophobicContact CG2-CG2 4.37Å; V227-S506 PolarHBondContact N-OG 2.68Å; V227-T508 HydrophobicContact CG1-CG2 4.28Å; V227-T508 PolarHBondContact O-OG1 2.96Å; V227-T508 VanDerWaalsContact O-OG1 3.08Å; V227-F519 HydrophobicContact CB-CB 4.49Å; V227-F519 HydrophobicContact CG1-CB 3.87Å; V227-F519 HydrophobicContact CG1-CD1 4.17Å; V227-F519 HydrophobicContact CG1-CG 4.2Å; V227-F519 HydrophobicContact CG2-CB 4.48Å
228	D	98.3	Very high	96	Very high	26 Å²	26	43.3 Å²	43.3	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159	174.1	-171.4	54.7	0	0	0	109.1	V238 T239 C274 S276	D228-V238 CarbonylContact O-C 3.59Å; D228-V238 WeakPolarHBondContact O-CA 3.32Å; D228-V238 WeakPolarHBondContact O-CG1 3.3Å; D228-T239 PolarHBondContact N-O 2.8Å; D228-T239 PolarHBondContact O-N 2.98Å; D228-C274 VanDerWaalsContact CB-O 3.26Å; D228-C274 WeakPolarHBondContact CB-O 3.4Å; D228-S276 WeakPolarHBondContact OD2-CB 3.26Å; D228-S276 PolarHBondContact OD2-N 2.85Å; D228-S276 PolarHBondContact OD2-OG 2.84Å
229	T	97.8	Very high	96.1	Very high	41 Å²	41	41 Å²	41	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.3	-177	-173.3	0	0	0	0	111.8	Y237 T508 V509 V510	T229-Y237 WeakPolarHBondContact CA-O 3.38Å; T229-Y237 PolarHBondContact OG1-O 2.8Å; T229-T508 HydrophobicContact CG2-CG2 4.08Å; T229-V509 WeakPolarHBondContact CG2-O 3.19Å; T229-V510 HydrophobicContact CG2-CG2 4.33Å
230	F	96.9	Very high	96.1	Very high	15 Å²	15	38.4 Å²	38.4	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.2	173.1	65.3	-82.9	0	0	0	111.1	F232 Y237 T239 S276 I278 V283 F306	F230-F232 HydrophobicContact CD2-CB 4.01Å; F230-F232 HydrophobicContact CE2-CB 3.99Å; F230-Y237 HydrophobicContact CD2-CD2 4.11Å; F230-Y237 HydrophobicContact CD2-CG 4.39Å; F230-Y237 VanDerWaalsContact CE1-CB 3.41Å; F230-Y237 HydrophobicContact CE1-CG 4.29Å; F230-Y237 AromaticContact CE2-CD2 3.57Å; F230-Y237 HydrophobicContact CE2-CD2 3.57Å; F230-Y237 HydrophobicContact CE2-CE2 4.4Å; F230-Y237 AromaticContact CE2-CG 3.65Å; F230-Y237 HydrophobicContact CE2-CG 3.65Å; F230-Y237 HydrophobicContact CZ-CD1 4.25Å; F230-Y237 HydrophobicContact CZ-CD2 4.04Å; F230-Y237 AromaticContact CZ-CG 3.6Å; F230-Y237 HydrophobicContact CZ-CG 3.6Å; F230-Y237 PolarHBondContact N-O 2.84Å; F230-Y237 PolarHBondContact O-N 3.29Å; F230-T239 HydrophobicContact CD1-CG2 4.35Å; F230-T239 HydrophobicContact CE1-CG2 3.82Å; F230-S276 WeakPolarHBondContact CB-OG 3.47Å; F230-S276 VanDerWaalsContact CD1-CB 3.48Å; F230-S276 WeakPolarHBondContact CD1-OG 3.39Å; F230-I278 HydrophobicContact CB-CD1 4.27Å; F230-I278 HydrophobicContact CD2-CD1 4.39Å; F230-V283 HydrophobicContact CD2-CG1 4.01Å; F230-V283 HydrophobicContact CE2-CG1 3.66Å; F230-V283 HydrophobicContact CE2-CG2 4.25Å; F230-V283 HydrophobicContact CZ-CG1 3.98Å; F230-F306 HydrophobicContact CZ-CZ 4.22Å
231	S	95.5	Very high	96.2	Very high	78 Å²	78	37.8 Å²	37.8	55%	0.545	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	173.5	-55.6	0	0	0	0	109.5	D235 I278	S231-D235 CarbonylContact C-O 3.57Å; S231-D235 VanDerWaalsContact CA-O 3.29Å; S231-D235 WeakPolarHBondContact CA-O 3.19Å; S231-I278 WeakPolarHBondContact O-CD1 3.34Å
232	F	94.4	Very high	96.3	Very high	25 Å²	25	33.4 Å²	33.4	11%	0.11	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.6	-179.6	-178.4	-115.8	0	0	0	110	F230 N234 D235 Y237 E281 V283 F299	F230-F232 HydrophobicContact CD2-CB 4.01Å; F230-F232 HydrophobicContact CE2-CB 3.99Å; F232-N234 PolarHBondContact O-N 3.04Å; F232-N234 VanDerWaalsContact O-N 3.16Å; F232-D235 PolarHBondContact N-O 2.95Å; F232-D235 PolarHBondContact O-N 3.22Å; F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.94Å; F232-E281 VanDerWaalsContact CE2-O 3.27Å; F232-E281 WeakPolarHBondContact CE2-O 3.43Å; F232-V283 HydrophobicContact CB-CG2 4.01Å; F232-V283 HydrophobicContact CD1-CG2 3.98Å; F232-V283 HydrophobicContact CD2-CG2 3.37Å; F232-V283 HydrophobicContact CE1-CG2 4.27Å; F232-V283 HydrophobicContact CE2-CG2 3.73Å; F232-V283 HydrophobicContact CG-CG2 3.51Å; F232-V283 HydrophobicContact CZ-CG2 4.15Å; F232-F299 AromaticContact CE1-CD1 3.88Å; F232-F299 HydrophobicContact CE1-CD1 3.88Å; F232-F299 AromaticContact CE1-CE1 3.83Å; F232-F299 HydrophobicContact CE1-CE1 3.83Å; F232-F299 HydrophobicContact CZ-CD1 4.44Å
233	K	92	Very high	96.3	Very high	123 Å²	123	34.1 Å²	34.1	54%	0.535	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.9	-178	-65.2	-179.4	173.3	-178.1	0	114.1	D235 D301	K233-D235 PolarHBondContact O-N 3.37Å; K233-D301 IonicContact NZ-OD1 2.81Å; K233-D301 PolarHBondContact NZ-OD1 3.22Å; K233-D301 IonicContact NZ-OD2 3.76Å; K233-D301 PolarHBondContact NZ-OD2 3.4Å
234	N	90.2	Very high	95.9	Very high	157 Å²	157	34 Å²	34	84%	0.84	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	8.4	-176.1	-56.8	-27.2	0	0	0	116.1	F232	F232-N234 PolarHBondContact O-N 3.04Å; F232-N234 VanDerWaalsContact O-N 3.16Å
235	D	93.3	Very high	95.6	Very high	40 Å²	40	36.5 Å²	36.5	21%	0.214	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	156.6	169	-78.7	-39	0	0	0	111.3	S231 F232 K233 Y237 Q252 H255	S231-D235 CarbonylContact C-O 3.57Å; S231-D235 VanDerWaalsContact CA-O 3.29Å; S231-D235 WeakPolarHBondContact CA-O 3.19Å; F232-D235 PolarHBondContact N-O 2.95Å; F232-D235 PolarHBondContact O-N 3.22Å; K233-D235 PolarHBondContact O-N 3.37Å; D235-Y237 HydrophobicContact CB-CD2 4.45Å; D235-Y237 HydrophobicContact CB-CE2 3.66Å; D235-Q252 PolarHBondContact OD2-NE2 2.97Å; D235-H255 IonicContact OD1-CD2 3.5Å; D235-H255 IonicContact OD1-NE2 2.67Å; D235-H255 PolarHBondContact OD1-NE2 3.17Å
236	V	96.9	Very high	95.4	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.085	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.8	180	-178.9	0	0	0	0	109.2	W253 V510 T512	V236-W253 HydrophobicContact CB-CB 4.3Å; V236-W253 PolarHBondContact O-N 2.83Å; V236-V510 HydrophobicContact CG1-CG1 3.49Å; V236-V510 VanDerWaalsContact CG1-CG1 3.49Å; V236-T512 HydrophobicContact CG2-CG2 4.39Å
237	Y	97.8	Very high	95.4	Very high	15 Å²	15	36.9 Å²	36.9	6%	0.059	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152	179.1	-60.8	-93.5	0	0	0	110.8	T229 F230 F232 D235 V250 L251 Q252 Y263	T229-Y237 WeakPolarHBondContact CA-O 3.38Å; T229-Y237 PolarHBondContact OG1-O 2.8Å; F230-Y237 HydrophobicContact CD2-CD2 4.11Å; F230-Y237 HydrophobicContact CD2-CG 4.39Å; F230-Y237 VanDerWaalsContact CE1-CB 3.41Å; F230-Y237 HydrophobicContact CE1-CG 4.29Å; F230-Y237 AromaticContact CE2-CD2 3.57Å; F230-Y237 HydrophobicContact CE2-CD2 3.57Å; F230-Y237 HydrophobicContact CE2-CE2 4.4Å; F230-Y237 AromaticContact CE2-CG 3.65Å; F230-Y237 HydrophobicContact CE2-CG 3.65Å; F230-Y237 HydrophobicContact CZ-CD1 4.25Å; F230-Y237 HydrophobicContact CZ-CD2 4.04Å; F230-Y237 AromaticContact CZ-CG 3.6Å; F230-Y237 HydrophobicContact CZ-CG 3.6Å; F230-Y237 PolarHBondContact N-O 2.84Å; F230-Y237 PolarHBondContact O-N 3.29Å; F232-Y237 HydrophobicContact CB-CD2 4.16Å; F232-Y237 HydrophobicContact CB-CE2 3.94Å; D235-Y237 HydrophobicContact CB-CD2 4.45Å; D235-Y237 HydrophobicContact CB-CE2 3.66Å; Y237-V250 HydrophobicContact CD1-CG1 4.34Å; Y237-L251 CarbonylContact C-O 3.48Å; Y237-L251 WeakPolarHBondContact CA-O 3.41Å; Y237-Q252 HydrophobicContact CD1-CB 3.88Å; Y237-Q252 HydrophobicContact CD1-CG 4.04Å; Y237-Q252 HydrophobicContact CE1-CB 3.82Å; Y237-Q252 HydrophobicContact CE1-CG 3.63Å; Y237-Q252 PolarHBondContact OH-NE2 3.03Å; Y237-Y263 HydrophobicContact CD1-CD1 4.43Å; Y237-Y263 HydrophobicContact CD1-CG 4.43Å; Y237-Y263 HydrophobicContact CE1-CD1 4.11Å; Y237-Y263 HydrophobicContact CE1-CD2 4.09Å; Y237-Y263 HydrophobicContact CE1-CE1 4.21Å; Y237-Y263 HydrophobicContact CE1-CE2 4.19Å; Y237-Y263 HydrophobicContact CE1-CG 4.04Å
238	V	98.4	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.7	179.3	-177.8	0	0	0	0	108.7	V227 D228 I240 V250 L251 F260 V510 F519	V227-V238 HydrophobicContact CG1-CG1 3.4Å; V227-V238 VanDerWaalsContact CG1-CG1 3.4Å; D228-V238 CarbonylContact O-C 3.59Å; D228-V238 WeakPolarHBondContact O-CA 3.32Å; D228-V238 WeakPolarHBondContact O-CG1 3.3Å; V238-I240 HydrophobicContact CG1-CG1 4.12Å; V238-V250 CarbonylContact O-C 3.58Å; V238-V250 WeakPolarHBondContact O-CA 3.46Å; V238-L251 HydrophobicContact CB-CB 4.38Å; V238-L251 PolarHBondContact N-O 2.85Å; V238-L251 PolarHBondContact O-N 2.71Å; V238-F260 HydrophobicContact CG2-CD1 4.25Å; V238-F260 HydrophobicContact CG2-CE1 3.9Å; V238-V510 HydrophobicContact CG2-CG1 3.99Å; V238-V510 HydrophobicContact CG2-CG2 3.88Å; V238-F519 HydrophobicContact CB-CE1 4.33Å; V238-F519 HydrophobicContact CB-CZ 4.35Å; V238-F519 HydrophobicContact CG1-CD1 3.93Å; V238-F519 HydrophobicContact CG1-CE1 3.81Å; V238-F519 HydrophobicContact CG1-CG 4.43Å; V238-F519 HydrophobicContact CG1-CZ 4.2Å; V238-F519 HydrophobicContact CG2-CE1 4.32Å; V238-F519 HydrophobicContact CG2-CE2 4.11Å; V238-F519 HydrophobicContact CG2-CZ 3.87Å
239	T	98.3	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.3	172.6	60	0	0	0	0	110.4	V227 D228 F230 M249 V250 C274 V285	V227-T239 CarbonylContact C-O 3.47Å; V227-T239 WeakPolarHBondContact CA-O 3.36Å; D228-T239 PolarHBondContact N-O 2.8Å; D228-T239 PolarHBondContact O-N 2.98Å; F230-T239 HydrophobicContact CD1-CG2 4.35Å; F230-T239 HydrophobicContact CE1-CG2 3.82Å; T239-M249 CarbonylContact C-O 3.4Å; T239-M249 VanDerWaalsContact CA-O 3.32Å; T239-M249 WeakPolarHBondContact CA-O 3.48Å; T239-V250 HydrophobicContact CG2-CG2 4.3Å; T239-C274 PolarHBondContact OG1-O 3.41Å; T239-V285 HydrophobicContact CG2-CG2 4.24Å
240	I	98.3	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.5	-178.8	-54.6	177.5	0	0	0	108.5	V227 V238 A242 C248 M249 L251 F519 T527	V227-I240 HydrophobicContact CG1-CG1 4.37Å; V227-I240 HydrophobicContact CG2-CG1 4.24Å; V227-I240 HydrophobicContact CG2-CG2 4.37Å; V238-I240 HydrophobicContact CG1-CG1 4.12Å; I240-A242 PolarHBondContact O-N 2.85Å; I240-C248 CarbonylContact O-C 3.59Å; I240-C248 WeakPolarHBondContact O-CA 3.37Å; I240-M249 HydrophobicContact CB-CB 4.33Å; I240-M249 PolarHBondContact N-O 3.01Å; I240-M249 PolarHBondContact O-N 2.94Å; I240-L251 HydrophobicContact CD1-CD1 3.62Å; I240-L251 HydrophobicContact CD1-CG 4.19Å; I240-F519 HydrophobicContact CD1-CD1 4.48Å; I240-F519 HydrophobicContact CD1-CE1 4.44Å; I240-T527 HydrophobicContact CD1-CG2 4.34Å
241	A	98.2	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.3	171.2	0	0	0	0	0	109.2	S224 L225 S226 P243 I271 C274	S224-A241 CarbonylContact C-O 3.56Å; S224-A241 WeakPolarHBondContact CA-O 3.12Å; S224-A241 WeakPolarHBondContact CB-O 3.49Å; L225-A241 PolarHBondContact N-O 2.71Å; S226-A241 PolarHBondContact O-N 3.2Å; S226-A241 WeakPolarHBondContact OG-CB 3.4Å; A241-P243 WeakPolarHBondContact O-CD 3.37Å; A241-I271 HydrophobicContact CB-CG2 3.94Å; A241-C274 HydrophobicContact CB-CB 4.46Å
242	A	96.3	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	95.3	-177.6	0	0	0	0	0	110.2	S222 E223 I240 S244 S245 D246 S247 M249	S222-A242 WeakPolarHBondContact OG-CB 3.22Å; E223-A242 WeakPolarHBondContact O-CA 3.48Å; E223-A242 WeakPolarHBondContact O-CB 3.47Å; I240-A242 PolarHBondContact O-N 2.85Å; A242-S244 PolarHBondContact O-N 2.82Å; A242-S245 WeakPolarHBondContact CB-OG 3.44Å; A242-S245 PolarHBondContact O-N 2.79Å; A242-S245 PolarHBondContact O-OG 2.81Å; A242-D246 PolarHBondContact O-N 2.9Å; A242-S247 WeakPolarHBondContact CA-O 3.35Å; A242-S247 WeakPolarHBondContact CB-O 3.36Å; A242-S247 PolarHBondContact N-O 3.49Å; A242-S247 PolarHBondContact O-N 3.13Å; A242-S247 VanDerWaalsContact O-N 3.17Å; A242-M249 HydrophobicContact CB-CG 4.4Å; A242-M249 HydrophobicContact CB-SD 4.13Å
243	P	92.1	Very high	95.5	Very high	31 Å²	31	31.7 Å²	31.7	20%	0.201	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.9	-36.3	-174.3	-15.2	25.3	0	0	0	112.9	L225 A241 S245 D246 I271	L225-P243 HydrophobicContact CB-CG 4.4Å; L225-P243 HydrophobicContact CD1-CG 3.42Å; L225-P243 VanDerWaalsContact CD1-CG 3.42Å; L225-P243 HydrophobicContact CG-CG 3.59Å; A241-P243 WeakPolarHBondContact O-CD 3.37Å; P243-S245 VanDerWaalsContact C-N 3.3Å; P243-S245 PolarHBondContact O-N 2.81Å; P243-D246 PolarHBondContact O-N 2.76Å; P243-I271 WeakPolarHBondContact CG-O 3.44Å
244	S	88.5	Confident	95.7	Very high	73 Å²	73	27.1 Å²	27.1	51%	0.51	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-74.4	-20.4	-177	48.1	0	0	0	0	113.5	E223 A242	E223-S244 VanDerWaalsContact OE2-CB 3.24Å; E223-S244 WeakPolarHBondContact OE2-CB 3.49Å; E223-S244 PolarHBondContact OE2-OG 2.79Å; A242-S244 PolarHBondContact O-N 2.82Å
245	S	90.9	Very high	95.8	Very high	53 Å²	53	23.9 Å²	23.9	37%	0.371	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-95.2	3.2	170.2	62.9	0	0	0	0	113.5	A242 P243 S247	A242-S245 WeakPolarHBondContact CB-OG 3.44Å; A242-S245 PolarHBondContact O-N 2.79Å; A242-S245 PolarHBondContact O-OG 2.81Å; P243-S245 VanDerWaalsContact C-N 3.3Å; P243-S245 PolarHBondContact O-N 2.81Å; S245-S247 WeakPolarHBondContact O-CB 3.3Å; S245-S247 PolarHBondContact O-N 2.67Å; S245-S247 PolarHBondContact OG-OG 3.42Å
246	D	94.3	Very high	95.8	Very high	72 Å²	72	29.2 Å²	29.2	39%	0.385	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.4	-173.5	-78.1	-38	0	0	0	111.7	A242 P243 G268 Q269 S270	A242-D246 PolarHBondContact O-N 2.9Å; P243-D246 PolarHBondContact O-N 2.76Å; D246-G268 CarbonylContact C-O 3.58Å; D246-G268 WeakPolarHBondContact CA-O 3.49Å; D246-G268 VanDerWaalsContact CB-O 3.26Å; D246-G268 WeakPolarHBondContact CB-O 3.36Å; D246-G268 PolarHBondContact O-N 2.83Å; D246-Q269 WeakPolarHBondContact OD1-CA 3.1Å; D246-S270 PolarHBondContact OD1-N 2.85Å
247	S	95.6	Very high	95.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.3	-170.4	88.7	0	0	0	0	114.6	A242 S245 N265 I266 I271	A242-S247 WeakPolarHBondContact CA-O 3.35Å; A242-S247 WeakPolarHBondContact CB-O 3.36Å; A242-S247 PolarHBondContact N-O 3.49Å; A242-S247 PolarHBondContact O-N 3.13Å; A242-S247 VanDerWaalsContact O-N 3.17Å; S245-S247 WeakPolarHBondContact O-CB 3.3Å; S245-S247 PolarHBondContact O-N 2.67Å; S245-S247 PolarHBondContact OG-OG 3.42Å; S247-N265 WeakPolarHBondContact CB-ND2 3.45Å; S247-N265 WeakPolarHBondContact CB-OD1 3.27Å; S247-N265 PolarHBondContact OG-ND2 2.55Å; S247-N265 PolarHBondContact OG-OD1 2.9Å; S247-I266 CarbonylContact C-O 3.57Å; S247-I266 WeakPolarHBondContact CA-O 3.46Å; S247-I271 VanDerWaalsContact C-CD1 3.49Å
248	C	97.6	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	97.7	171.1	-176.8	0	0	0	0	106.7	I240 N265 I266 I271 C274	I240-C248 CarbonylContact O-C 3.59Å; I240-C248 WeakPolarHBondContact O-CA 3.37Å; C248-N265 PolarHBondContact O-OD1 3.17Å; C248-I266 HydrophobicContact CB-CB 4.06Å; C248-I266 PolarHBondContact N-O 2.83Å; C248-I266 PolarHBondContact O-N 3.17Å; C248-I271 HydrophobicContact CB-CD1 3.92Å; C248-C274 HydrophobicContact CB-CB 4.37Å; C248-C274 WeakPolarHBondContact CB-SG 3.39Å; C248-C274 WeakPolarHBondContact SG-CB 3.3Å; C248-C274 CovalentContact SG-SG 2.01Å; C248-C274 PolarHBondContact SG-SG 2.9Å
249	M	97.5	Very high	95.4	Very high	24 Å²	24	39.4 Å²	39.4	12%	0.118	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.3	-176.9	-57.3	172.4	62.5	0	0	108.8	V220 T239 I240 A242 L251	V220-M249 HydrophobicContact CG1-CE 3.88Å; T239-M249 CarbonylContact C-O 3.4Å; T239-M249 VanDerWaalsContact CA-O 3.32Å; T239-M249 WeakPolarHBondContact CA-O 3.48Å; I240-M249 HydrophobicContact CB-CB 4.33Å; I240-M249 PolarHBondContact N-O 3.01Å; I240-M249 PolarHBondContact O-N 2.94Å; A242-M249 HydrophobicContact CB-CG 4.4Å; A242-M249 HydrophobicContact CB-SD 4.13Å; M249-L251 HydrophobicContact CE-CD2 4.44Å
250	V	97.9	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	172.1	-171.8	0	0	0	0	107.5	Y237 V238 T239 Y263 D264 I266 F306	Y237-V250 HydrophobicContact CD1-CG1 4.34Å; V238-V250 CarbonylContact O-C 3.58Å; V238-V250 WeakPolarHBondContact O-CA 3.46Å; T239-V250 HydrophobicContact CG2-CG2 4.3Å; V250-Y263 HydrophobicContact CG1-CD1 4.14Å; V250-Y263 WeakPolarHBondContact O-CA 3.11Å; V250-Y263 WeakPolarHBondContact O-CB 3.38Å; V250-Y263 PolarHBondContact O-N 2.85Å; V250-D264 HydrophobicContact CB-CB 4.26Å; V250-D264 HydrophobicContact CG2-CB 4.42Å; V250-D264 PolarHBondContact N-O 3.31Å; V250-D264 PolarHBondContact O-N 2.6Å; V250-I266 HydrophobicContact CG2-CD1 4.4Å; V250-F306 HydrophobicContact CG1-CE2 4.16Å; V250-F306 HydrophobicContact CG2-CD2 4.12Å; V250-F306 HydrophobicContact CG2-CE2 4Å
251	L	97.8	Very high	95.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	149.5	174.3	-51.3	-175	0	0	0	110.1	V220 Y237 V238 I240 M249 F260 R261 F519	V220-L251 HydrophobicContact CG2-CD1 4.06Å; Y237-L251 CarbonylContact C-O 3.48Å; Y237-L251 WeakPolarHBondContact CA-O 3.41Å; V238-L251 HydrophobicContact CB-CB 4.38Å; V238-L251 PolarHBondContact N-O 2.85Å; V238-L251 PolarHBondContact O-N 2.71Å; I240-L251 HydrophobicContact CD1-CD1 3.62Å; I240-L251 HydrophobicContact CD1-CG 4.19Å; M249-L251 HydrophobicContact CE-CD2 4.44Å; L251-F260 HydrophobicContact CB-CB 4.37Å; L251-F260 HydrophobicContact CD1-CB 4.19Å; L251-R261 CarbonylContact C-O 3.47Å; L251-R261 WeakPolarHBondContact CA-O 3.4Å; L251-F519 HydrophobicContact CD1-CE1 4.24Å
252	Q	97.1	Very high	95.1	Very high	50 Å²	50	49.5 Å²	49.5	23%	0.234	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.4	171.9	-175.5	-175.5	24.3	0	0	109.2	D235 Y237 F260 R261 Y263	D235-Q252 PolarHBondContact OD2-NE2 2.97Å; Y237-Q252 HydrophobicContact CD1-CB 3.88Å; Y237-Q252 HydrophobicContact CD1-CG 4.04Å; Y237-Q252 HydrophobicContact CE1-CB 3.82Å; Y237-Q252 HydrophobicContact CE1-CG 3.63Å; Y237-Q252 PolarHBondContact OH-NE2 3.03Å; Q252-F260 WeakPolarHBondContact O-CA 3.33Å; Q252-R261 PolarHBondContact N-O 3.25Å; Q252-R261 PolarHBondContact O-N 2.93Å; Q252-Y263 HydrophobicContact CB-CD2 4.14Å; Q252-Y263 HydrophobicContact CB-CG 4.27Å; Q252-Y263 VanDerWaalsContact OE1-CD2 3.24Å
253	W	97.2	Very high	95.1	Very high	9 Å²	9	52.5 Å²	52.5	3%	0.034	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.6	170.5	175.6	-106	0	0	0	111.4	V236 H255 M258 F260 T512 F517	V236-W253 HydrophobicContact CB-CB 4.3Å; V236-W253 PolarHBondContact O-N 2.83Å; W253-H255 AromaticContact CD1-CE1 3.41Å; W253-H255 VanDerWaalsContact CD1-CE1 3.41Å; W253-H255 AromaticContact CD1-CG 3.81Å; W253-H255 AromaticContact CD1-ND1 3.42Å; W253-H255 AromaticContact CD1-NE2 3.76Å; W253-H255 AromaticContact NE1-CE1 3.74Å; W253-H255 AromaticContact NE1-CG 3.81Å; W253-H255 AromaticContact NE1-ND1 3.28Å; W253-H255 PolarHBondContact NE1-ND1 2.91Å; W253-M258 HydrophobicContact CH2-CB 4.13Å; W253-M258 VanDerWaalsContact CH2-O 3.3Å; W253-M258 WeakPolarHBondContact CH2-O 3.41Å; W253-M258 HydrophobicContact CZ2-CB 4.26Å; W253-M258 HydrophobicContact CZ2-SD 3.79Å; W253-F260 HydrophobicContact CB-CD1 4.35Å; W253-F260 HydrophobicContact CB-CE1 4.05Å; W253-F260 HydrophobicContact CE3-CD1 4.27Å; W253-F260 AromaticContact CE3-CD2 3.88Å; W253-F260 HydrophobicContact CE3-CD2 3.88Å; W253-F260 HydrophobicContact CE3-CE1 4.03Å; W253-F260 AromaticContact CE3-CE2 3.62Å; W253-F260 HydrophobicContact CE3-CE2 3.62Å; W253-F260 HydrophobicContact CE3-CG 4.2Å; W253-F260 AromaticContact CE3-CZ 3.7Å; W253-F260 HydrophobicContact CE3-CZ 3.7Å; W253-F260 HydrophobicContact CZ3-CD2 4.07Å; W253-F260 AromaticContact CZ3-CE2 3.83Å; W253-F260 HydrophobicContact CZ3-CE2 3.83Å; W253-F260 HydrophobicContact CZ3-CZ 4.32Å; W253-T512 HydrophobicContact CD2-CG2 3.85Å; W253-T512 HydrophobicContact CE3-CG2 4.35Å; W253-T512 HydrophobicContact CG-CG2 3.9Å; W253-F517 HydrophobicContact CE3-CE2 4.26Å; W253-F517 HydrophobicContact CE3-CZ 4.45Å; W253-F517 AromaticContact CH2-CE2 3.98Å; W253-F517 HydrophobicContact CH2-CE2 3.98Å; W253-F517 AromaticContact CH2-CZ 3.56Å; W253-F517 HydrophobicContact CH2-CZ 3.56Å; W253-F517 HydrophobicContact CZ2-CZ 4.48Å; W253-F517 HydrophobicContact CZ3-CE1 4.42Å; W253-F517 AromaticContact CZ3-CE2 3.78Å; W253-F517 HydrophobicContact CZ3-CE2 3.78Å; W253-F517 AromaticContact CZ3-CZ 3.55Å; W253-F517 HydrophobicContact CZ3-CZ 3.55Å
254	D	95.5	Very high	95.3	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.144	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.8	171.7	174.6	20.1	0	0	0	111.2	I256 E257 M258 N259 R261	D254-I256 PolarHBondContact O-N 3.46Å; D254-I256 WeakPolarHBondContact OD1-CB 3.33Å; D254-I256 PolarHBondContact OD1-N 2.81Å; D254-E257 WeakPolarHBondContact OD2-CB 3.32Å; D254-E257 PolarHBondContact OD2-N 2.81Å; D254-M258 WeakPolarHBondContact O-CA 3.3Å; D254-M258 PolarHBondContact O-N 2.81Å; D254-N259 PolarHBondContact N-O 3.25Å; D254-R261 HydrophobicContact CB-CG 4.05Å; D254-R261 IonicContact OD2-CZ 3.16Å; D254-R261 IonicContact OD2-NE 2.7Å; D254-R261 PolarHBondContact OD2-NE 3.47Å; D254-R261 IonicContact OD2-NH2 3.02Å; D254-R261 PolarHBondContact OD2-NH2 2.81Å
255	H	92.8	Very high	95.6	Very high	89 Å²	89	52 Å²	52	41%	0.412	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.5	179	-59.2	-84.2	0	0	0	114.3	D235 W253 M258	D235-H255 IonicContact OD1-CD2 3.5Å; D235-H255 IonicContact OD1-NE2 2.67Å; D235-H255 PolarHBondContact OD1-NE2 3.17Å; W253-H255 AromaticContact CD1-CE1 3.41Å; W253-H255 VanDerWaalsContact CD1-CE1 3.41Å; W253-H255 AromaticContact CD1-CG 3.81Å; W253-H255 AromaticContact CD1-ND1 3.42Å; W253-H255 AromaticContact CD1-NE2 3.76Å; W253-H255 AromaticContact NE1-CE1 3.74Å; W253-H255 AromaticContact NE1-CG 3.81Å; W253-H255 AromaticContact NE1-ND1 3.28Å; W253-H255 PolarHBondContact NE1-ND1 2.91Å; H255-M258 VanDerWaalsContact O-CE 3.31Å; H255-M258 WeakPolarHBondContact O-CE 3.48Å
256	I	92.8	Very high	95.9	Very high	151 Å²	151	49.8 Å²	49.8	77%	0.774	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-57.6	-179.9	-58	176.6	0	0	0	110.7	D254 M258	D254-I256 PolarHBondContact O-N 3.46Å; D254-I256 WeakPolarHBondContact OD1-CB 3.33Å; D254-I256 PolarHBondContact OD1-N 2.81Å; I256-M258 VanDerWaalsContact C-N 3.26Å; I256-M258 PolarHBondContact O-N 2.87Å
257	E	94.4	Very high	96	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.523	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9	178	-70.5	-179.8	-166.9	0	0	113.4	D254 N259 R261	D254-E257 WeakPolarHBondContact OD2-CB 3.32Å; D254-E257 PolarHBondContact OD2-N 2.81Å; E257-N259 VanDerWaalsContact C-N 3.3Å; E257-N259 WeakPolarHBondContact CB-ND2 3.34Å; E257-N259 PolarHBondContact O-N 3.39Å; E257-N259 PolarHBondContact OE2-ND2 3.36Å; E257-R261 IonicContact OE1-CZ 2.94Å; E257-R261 IonicContact OE1-NH1 3.71Å; E257-R261 IonicContact OE1-NH2 2.79Å; E257-R261 PolarHBondContact OE1-NH2 2.75Å; E257-R261 IonicContact OE2-CZ 2.67Å; E257-R261 IonicContact OE2-NE 3.1Å; E257-R261 PolarHBondContact OE2-NE 2.83Å; E257-R261 IonicContact OE2-NH2 3.75Å; E257-R261 PolarHBondContact OE2-NH2 3.33Å
258	M	93.8	Very high	95.9	Very high	92 Å²	92	51.7 Å²	51.7	45%	0.453	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	42.6	178.5	-61.4	-75	-178.1	0	0	111.9	H217 W253 D254 H255 I256 R515	H217-M258 PolarHBondContact CE1-O 2.83Å; H217-M258 PolarHBondContact NE2-O 2.83Å; W253-M258 HydrophobicContact CH2-CB 4.13Å; W253-M258 VanDerWaalsContact CH2-O 3.3Å; W253-M258 WeakPolarHBondContact CH2-O 3.41Å; W253-M258 HydrophobicContact CZ2-CB 4.26Å; W253-M258 HydrophobicContact CZ2-SD 3.79Å; D254-M258 WeakPolarHBondContact O-CA 3.3Å; D254-M258 PolarHBondContact O-N 2.81Å; H255-M258 VanDerWaalsContact O-CE 3.31Å; H255-M258 WeakPolarHBondContact O-CE 3.48Å; I256-M258 VanDerWaalsContact C-N 3.26Å; I256-M258 PolarHBondContact O-N 2.87Å; M258-R515 PolarHBondContact O-NH1 3.31Å
259	N	96.1	Very high	95.6	Very high	39 Å²	39	57.3 Å²	57.3	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	170.2	-178.6	67.7	17.6	0	0	0	111.6	D254 E257 R261	D254-N259 PolarHBondContact N-O 3.25Å; E257-N259 VanDerWaalsContact C-N 3.3Å; E257-N259 WeakPolarHBondContact CB-ND2 3.34Å; E257-N259 PolarHBondContact O-N 3.39Å; E257-N259 PolarHBondContact OE2-ND2 3.36Å; N259-R261 WeakPolarHBondContact OD1-CG 3.44Å
260	F	97.3	Very high	95.5	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121	172.1	-72	-88	0	0	0	110.4	Q218 V238 L251 Q252 W253 V510 F517 F519 I529	Q218-F260 PolarHBondContact NE2-O 2.88Å; V238-F260 HydrophobicContact CG2-CD1 4.25Å; V238-F260 HydrophobicContact CG2-CE1 3.9Å; L251-F260 HydrophobicContact CB-CB 4.37Å; L251-F260 HydrophobicContact CD1-CB 4.19Å; Q252-F260 WeakPolarHBondContact O-CA 3.33Å; W253-F260 HydrophobicContact CB-CD1 4.35Å; W253-F260 HydrophobicContact CB-CE1 4.05Å; W253-F260 HydrophobicContact CE3-CD1 4.27Å; W253-F260 AromaticContact CE3-CD2 3.88Å; W253-F260 HydrophobicContact CE3-CD2 3.88Å; W253-F260 HydrophobicContact CE3-CE1 4.03Å; W253-F260 AromaticContact CE3-CE2 3.62Å; W253-F260 HydrophobicContact CE3-CE2 3.62Å; W253-F260 HydrophobicContact CE3-CG 4.2Å; W253-F260 AromaticContact CE3-CZ 3.7Å; W253-F260 HydrophobicContact CE3-CZ 3.7Å; W253-F260 HydrophobicContact CZ3-CD2 4.07Å; W253-F260 AromaticContact CZ3-CE2 3.83Å; W253-F260 HydrophobicContact CZ3-CE2 3.83Å; W253-F260 HydrophobicContact CZ3-CZ 4.32Å; F260-V510 HydrophobicContact CE1-CG1 4.07Å; F260-V510 HydrophobicContact CZ-CG1 3.79Å; F260-F517 HydrophobicContact CE2-CD1 4.42Å; F260-F517 AromaticContact CE2-CD2 3.89Å; F260-F517 HydrophobicContact CE2-CD2 3.89Å; F260-F517 HydrophobicContact CE2-CE2 4.12Å; F260-F517 HydrophobicContact CE2-CG 4.05Å; F260-F517 HydrophobicContact CE2-CZ 4.47Å; F260-F517 AromaticContact CZ-CD2 3.98Å; F260-F517 HydrophobicContact CZ-CD2 3.98Å; F260-F517 HydrophobicContact CZ-CE2 4.32Å; F260-F517 HydrophobicContact CZ-CG 4.46Å; F260-F519 HydrophobicContact CB-CZ 4.46Å; F260-F519 AromaticContact CD1-CZ 3.87Å; F260-F519 HydrophobicContact CD1-CZ 3.87Å; F260-F519 HydrophobicContact CD2-CE2 4.09Å; F260-F519 AromaticContact CD2-CZ 3.63Å; F260-F519 HydrophobicContact CD2-CZ 3.63Å; F260-F519 HydrophobicContact CE1-CE2 4.14Å; F260-F519 AromaticContact CE1-CZ 3.92Å; F260-F519 HydrophobicContact CE1-CZ 3.92Å; F260-F519 AromaticContact CE2-CE2 3.65Å; F260-F519 HydrophobicContact CE2-CE2 3.65Å; F260-F519 AromaticContact CE2-CZ 3.68Å; F260-F519 HydrophobicContact CE2-CZ 3.68Å; F260-F519 AromaticContact CG-CZ 3.72Å; F260-F519 HydrophobicContact CG-CZ 3.72Å; F260-F519 AromaticContact CZ-CE2 3.68Å; F260-F519 HydrophobicContact CZ-CE2 3.68Å; F260-F519 AromaticContact CZ-CZ 3.83Å; F260-F519 HydrophobicContact CZ-CZ 3.83Å; F260-I529 HydrophobicContact CB-CD1 4.28Å; F260-I529 HydrophobicContact CD2-CD1 3.99Å; F260-I529 HydrophobicContact CD2-CG2 4.38Å; F260-I529 HydrophobicContact CE2-CG2 4.29Å; F260-I529 HydrophobicContact CG-CD1 4.39Å
261	R	96.1	Very high	95.4	Very high	110 Å²	110	57.8 Å²	57.8	42%	0.415	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	150.7	179.9	-58.2	-171.2	-176	-160.4	13.4	111.3	L251 Q252 D254 E257 N259 Y263	L251-R261 CarbonylContact C-O 3.47Å; L251-R261 WeakPolarHBondContact CA-O 3.4Å; Q252-R261 PolarHBondContact N-O 3.25Å; Q252-R261 PolarHBondContact O-N 2.93Å; D254-R261 HydrophobicContact CB-CG 4.05Å; D254-R261 IonicContact OD2-CZ 3.16Å; D254-R261 IonicContact OD2-NE 2.7Å; D254-R261 PolarHBondContact OD2-NE 3.47Å; D254-R261 IonicContact OD2-NH2 3.02Å; D254-R261 PolarHBondContact OD2-NH2 2.81Å; E257-R261 IonicContact OE1-CZ 2.94Å; E257-R261 IonicContact OE1-NH1 3.71Å; E257-R261 IonicContact OE1-NH2 2.79Å; E257-R261 PolarHBondContact OE1-NH2 2.75Å; E257-R261 IonicContact OE2-CZ 2.67Å; E257-R261 IonicContact OE2-NE 3.1Å; E257-R261 PolarHBondContact OE2-NE 2.83Å; E257-R261 IonicContact OE2-NH2 3.75Å; E257-R261 PolarHBondContact OE2-NH2 3.33Å; N259-R261 WeakPolarHBondContact OD1-CG 3.44Å; R261-Y263 PolarHBondContact O-N 2.84Å
262	T	95.3	Very high	95.3	Very high	97 Å²	97	58.3 Å²	58.3	60%	0.595	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.8	171.2	-52.8	0	0	0	0	110
263	Y	96.1	Very high	95.3	Very high	63 Å²	63	56.2 Å²	56.2	25%	0.247	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-53.4	177.5	179.7	-100.3	0	0	0	111.1	Y237 V250 Q252 R261 F299	Y237-Y263 HydrophobicContact CD1-CD1 4.43Å; Y237-Y263 HydrophobicContact CD1-CG 4.43Å; Y237-Y263 HydrophobicContact CE1-CD1 4.11Å; Y237-Y263 HydrophobicContact CE1-CD2 4.09Å; Y237-Y263 HydrophobicContact CE1-CE1 4.21Å; Y237-Y263 HydrophobicContact CE1-CE2 4.19Å; Y237-Y263 HydrophobicContact CE1-CG 4.04Å; V250-Y263 HydrophobicContact CG1-CD1 4.14Å; V250-Y263 WeakPolarHBondContact O-CA 3.11Å; V250-Y263 WeakPolarHBondContact O-CB 3.38Å; V250-Y263 PolarHBondContact O-N 2.85Å; Q252-Y263 HydrophobicContact CB-CD2 4.14Å; Q252-Y263 HydrophobicContact CB-CG 4.27Å; Q252-Y263 VanDerWaalsContact OE1-CD2 3.24Å; R261-Y263 PolarHBondContact O-N 2.84Å; Y263-F299 AromaticContact CE1-CE2 3.74Å; Y263-F299 HydrophobicContact CE1-CE2 3.74Å; Y263-F299 HydrophobicContact CE1-CZ 4.34Å; Y263-F299 WeakPolarHBondContact OH-CE2 3.38Å; Y263-F299 WeakPolarHBondContact OH-CZ 3.38Å
264	D	96.4	Very high	95.3	Very high	26 Å²	26	56 Å²	56	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	168.2	178.5	-165.8	11.7	0	0	0	110.2	V250 R305 F306	V250-D264 HydrophobicContact CB-CB 4.26Å; V250-D264 HydrophobicContact CG2-CB 4.42Å; V250-D264 PolarHBondContact N-O 3.31Å; V250-D264 PolarHBondContact O-N 2.6Å; D264-R305 WeakPolarHBondContact OD2-CA 3.44Å; D264-F306 HydrophobicContact CB-CD2 4.4Å; D264-F306 PolarHBondContact OD2-N 3.28Å
265	N	95.9	Very high	95.4	Very high	69 Å²	69	56.2 Å²	56.2	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	109.5	176.8	-162.4	19.7	0	0	0	111.4	S247 C248	S247-N265 WeakPolarHBondContact CB-ND2 3.45Å; S247-N265 WeakPolarHBondContact CB-OD1 3.27Å; S247-N265 PolarHBondContact OG-ND2 2.55Å; S247-N265 PolarHBondContact OG-OD1 2.9Å; C248-N265 PolarHBondContact O-OD1 3.17Å
266	I	97.2	Very high	95.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.7	177.3	-61	160.8	0	0	0	108.4	S247 C248 V250 V285 V287 Y297 F306	S247-I266 CarbonylContact C-O 3.57Å; S247-I266 WeakPolarHBondContact CA-O 3.46Å; C248-I266 HydrophobicContact CB-CB 4.06Å; C248-I266 PolarHBondContact N-O 2.83Å; C248-I266 PolarHBondContact O-N 3.17Å; V250-I266 HydrophobicContact CG2-CD1 4.4Å; I266-V285 HydrophobicContact CD1-CB 4.09Å; I266-V285 HydrophobicContact CD1-CG1 4.14Å; I266-V285 HydrophobicContact CD1-CG2 4.4Å; I266-V287 HydrophobicContact CG2-CG2 4.2Å; I266-Y297 HydrophobicContact CD1-CG 4.25Å; I266-Y297 HydrophobicContact CG1-CD1 4.43Å; I266-Y297 HydrophobicContact CG1-CG 4.48Å; I266-Y297 HydrophobicContact CG2-CD1 3.7Å; I266-Y297 HydrophobicContact CG2-CD2 3.66Å; I266-Y297 HydrophobicContact CG2-CE1 3.53Å; I266-Y297 HydrophobicContact CG2-CE2 3.43Å; I266-Y297 VanDerWaalsContact CG2-CE2 3.43Å; I266-Y297 HydrophobicContact CG2-CG 3.79Å; I266-F306 HydrophobicContact CD1-CB 3.67Å; I266-F306 HydrophobicContact CD1-CD1 4.19Å; I266-F306 HydrophobicContact CD1-CD2 4.16Å; I266-F306 HydrophobicContact CD1-CG 3.74Å; I266-F306 HydrophobicContact CG1-CB 3.58Å; I266-F306 HydrophobicContact CG1-CD2 4.45Å; I266-F306 HydrophobicContact CG1-CG 4.13Å
267	T	95.9	Very high	95.9	Very high	102 Å²	102	45.7 Å²	45.7	63%	0.626	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.6	-178.5	55.2	0	0	0	0	112.1	Y297	T267-Y297 PolarHBondContact O-OH 2.8Å
268	G	93.1	Very high	96	Very high	12 Å²	12	43 Å²	43	12%	0.124	23%	0.226	C	C	.	.			trans	-176.7	148.5	-179.6	0	0	0	0	0	111.9	D246 I271	D246-G268 CarbonylContact C-O 3.58Å; D246-G268 WeakPolarHBondContact CA-O 3.49Å; D246-G268 VanDerWaalsContact CB-O 3.26Å; D246-G268 WeakPolarHBondContact CB-O 3.36Å; D246-G268 PolarHBondContact O-N 2.83Å; G268-I271 WeakPolarHBondContact O-CG1 3.34Å
269	Q	92.5	Very high	96	Very high	119 Å²	119	38.9 Å²	38.9	56%	0.556	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	126.7	-173.2	-69.5	-177.7	-13.2	0	0	111.1	D246 I271 Q289 F291	D246-Q269 WeakPolarHBondContact OD1-CA 3.1Å; Q269-I271 PolarHBondContact O-N 2.94Å; Q269-Q289 WeakPolarHBondContact O-CB 3.36Å; Q269-F291 HydrophobicContact CB-CB 4.41Å
270	S	93.5	Very high	95.9	Very high	34 Å²	34	44.1 Å²	44.1	24%	0.238	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	55	175	-56.3	0	0	0	0	113	D246 V272 L290	D246-S270 PolarHBondContact OD1-N 2.85Å; S270-V272 PolarHBondContact O-N 2.93Å; S270-L290 PolarHBondContact O-N 2.93Å; S270-L290 VanDerWaalsContact O-N 3.17Å
271	I	96	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.7	179.8	-59.5	175.9	0	0	0	109.6	A241 P243 S247 C248 G268 Q269 V287 A288 Q289	A241-I271 HydrophobicContact CB-CG2 3.94Å; P243-I271 WeakPolarHBondContact CG-O 3.44Å; S247-I271 VanDerWaalsContact C-CD1 3.49Å; C248-I271 HydrophobicContact CB-CD1 3.92Å; G268-I271 WeakPolarHBondContact O-CG1 3.34Å; Q269-I271 PolarHBondContact O-N 2.94Å; I271-V287 HydrophobicContact CB-CG1 4.43Å; I271-V287 HydrophobicContact CD1-CG1 3.72Å; I271-V287 HydrophobicContact CG1-CG1 3.85Å; I271-V287 HydrophobicContact CG2-CG1 3.75Å; I271-A288 WeakPolarHBondContact CA-O 3.5Å; I271-Q289 HydrophobicContact CG1-CG 4.15Å
272	V	95.9	Very high	95.6	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.085	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-36.8	-179.8	-175.3	0	0	0	0	111.7	L225 S270 A288 L290 N321	L225-V272 HydrophobicContact CD1-CG1 4.2Å; S270-V272 PolarHBondContact O-N 2.93Å; V272-A288 PolarHBondContact N-O 3.47Å; V272-L290 HydrophobicContact CG2-CD1 4.05Å; V272-L290 HydrophobicContact CG2-CD2 3.82Å; V272-L290 HydrophobicContact CG2-CG 3.49Å; V272-L290 VanDerWaalsContact CG2-CG 3.49Å; V272-N321 WeakPolarHBondContact CG1-O 3.45Å
273	G	96.7	Very high	95.7	Very high	6 Å²	6	45.7 Å²	45.7	6%	0.062	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.9	-173.6	0	0	0	0	0	112.1	S226 V287 A288	S226-G273 WeakPolarHBondContact OG-CA 3.23Å; G273-V287 WeakPolarHBondContact O-CA 3.2Å; G273-A288 PolarHBondContact O-N 2.62Å
274	C	97.9	Very high	95.8	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.3	168.5	-64.4	0	0	0	0	108.2	S226 D228 T239 A241 C248 V285 I286	S226-C274 PolarHBondContact OG-N 2.82Å; D228-C274 VanDerWaalsContact CB-O 3.26Å; D228-C274 WeakPolarHBondContact CB-O 3.4Å; T239-C274 PolarHBondContact OG1-O 3.41Å; A241-C274 HydrophobicContact CB-CB 4.46Å; C248-C274 HydrophobicContact CB-CB 4.37Å; C248-C274 WeakPolarHBondContact CB-SG 3.39Å; C248-C274 WeakPolarHBondContact SG-CB 3.3Å; C248-C274 CovalentContact SG-SG 2.01Å; C248-C274 PolarHBondContact SG-SG 2.9Å; C274-V285 HydrophobicContact CB-CG1 4.29Å; C274-I286 WeakPolarHBondContact CA-O 3.14Å
275	K	98.3	Very high	95.8	Very high	33 Å²	33	41.7 Å²	41.7	14%	0.143	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	179	-165.7	75.8	170.2	-156.9	0	109.3	V285 I286 I323 E324 A325	K275-V285 WeakPolarHBondContact O-CA 3.44Å; K275-I286 PolarHBondContact N-O 3.27Å; K275-I286 PolarHBondContact O-N 2.94Å; K275-I323 HydrophobicContact CB-CB 4.03Å; K275-I323 HydrophobicContact CB-CD1 4.34Å; K275-I323 HydrophobicContact CB-CG2 3.75Å; K275-I323 HydrophobicContact CG-CG2 4.17Å; K275-E324 VanDerWaalsContact NZ-CD 3.31Å; K275-E324 IonicContact NZ-OE1 2.96Å; K275-E324 PolarHBondContact NZ-OE1 3.43Å; K275-E324 IonicContact NZ-OE2 2.62Å; K275-E324 PolarHBondContact NZ-OE2 3.4Å; K275-E324 VanDerWaalsContact NZ-OE2 3.1Å; K275-A325 HydrophobicContact CG-CB 3.86Å
276	S	97.6	Very high	95.9	Very high	14 Å²	14	38.4 Å²	38.4	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.9	179.4	63.8	0	0	0	0	111.1	D228 F230 Y284	D228-S276 WeakPolarHBondContact OD2-CB 3.26Å; D228-S276 PolarHBondContact OD2-N 2.85Å; D228-S276 PolarHBondContact OD2-OG 2.84Å; F230-S276 WeakPolarHBondContact CB-OG 3.47Å; F230-S276 VanDerWaalsContact CD1-CB 3.48Å; F230-S276 WeakPolarHBondContact CD1-OG 3.39Å; S276-Y284 CarbonylContact C-O 3.53Å; S276-Y284 WeakPolarHBondContact CA-O 3.5Å
277	V	97.1	Very high	96	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.9	174.1	-63.2	0	0	0	0	109.8	I279 Y284 I286 A325 W332 F355	V277-I279 HydrophobicContact CG2-CD1 4.28Å; V277-I279 HydrophobicContact CG2-CG1 4.44Å; V277-Y284 HydrophobicContact CG2-CD2 4.46Å; V277-Y284 HydrophobicContact CG2-CG 4.49Å; V277-Y284 PolarHBondContact N-O 2.81Å; V277-Y284 PolarHBondContact O-N 2.93Å; V277-I286 HydrophobicContact CG1-CD1 4.09Å; V277-I286 HydrophobicContact CG2-CD1 4.35Å; V277-A325 HydrophobicContact CG1-CB 3.53Å; V277-W332 HydrophobicContact CG1-CZ3 4.4Å; V277-F355 HydrophobicContact CG2-CE2 4.18Å; V277-F355 HydrophobicContact CG2-CZ 4.26Å
278	I	96.4	Very high	96	Very high	55 Å²	55	33.3 Å²	33.3	28%	0.282	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.7	178.1	-54.9	179	0	0	0	108.5	F230 S231 E282 V283 W332	F230-I278 HydrophobicContact CB-CD1 4.27Å; F230-I278 HydrophobicContact CD2-CD1 4.39Å; S231-I278 WeakPolarHBondContact O-CD1 3.34Å; I278-E282 WeakPolarHBondContact CA-O 3.38Å; I278-V283 HydrophobicContact CG1-CG2 4.37Å; I278-W332 VanDerWaalsContact O-CZ2 3.3Å; I278-W332 WeakPolarHBondContact O-CZ2 3.49Å
279	I	95.6	Very high	96.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.1	-176.7	-49.9	177.9	0	0	0	107.4	V277 E281 E282 Y284 W332 W350 F355	V277-I279 HydrophobicContact CG2-CD1 4.28Å; V277-I279 HydrophobicContact CG2-CG1 4.44Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 2.7Å; I279-E282 PolarHBondContact N-O 2.98Å; I279-E282 WeakPolarHBondContact O-CB 3.22Å; I279-E282 PolarHBondContact O-N 2.95Å; I279-Y284 HydrophobicContact CB-CD2 4.44Å; I279-Y284 HydrophobicContact CB-CE2 4.07Å; I279-Y284 HydrophobicContact CD1-CD2 4.32Å; I279-Y284 HydrophobicContact CD1-CE2 4.4Å; I279-Y284 HydrophobicContact CG1-CD2 4.33Å; I279-Y284 HydrophobicContact CG1-CE2 4.4Å; I279-W332 HydrophobicContact CD1-CB 4.27Å; I279-W332 HydrophobicContact CD1-CG 4.13Å; I279-W332 HydrophobicContact CG1-CD2 4.31Å; I279-W332 HydrophobicContact CG1-CG 4.06Å; I279-W350 HydrophobicContact CD1-CD2 3.67Å; I279-W350 HydrophobicContact CD1-CE3 3.64Å; I279-W350 HydrophobicContact CD1-CG 4.11Å; I279-W350 HydrophobicContact CD1-CH2 4.49Å; I279-W350 HydrophobicContact CD1-CZ3 4.05Å; I279-W350 HydrophobicContact CG2-CD2 4.4Å; I279-W350 HydrophobicContact CG2-CZ2 4.28Å; I279-F355 HydrophobicContact CD1-CE2 3.74Å; I279-F355 HydrophobicContact CD1-CZ 3.57Å
280	Q	92.4	Very high	96.1	Very high	149 Å²	149	30.4 Å²	30.4	70%	0.696	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.6	178.4	-60.7	175.6	-1.5	0	0	113.1	E282	Q280-E282 PolarHBondContact O-N 2.84Å
281	E	91.9	Very high	95.9	Very high	169 Å²	169	34.2 Å²	34.2	79%	0.79	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	11.8	-177	-53.1	-178.2	175.3	0	0	115.2	F232 I279	F232-E281 VanDerWaalsContact CE2-O 3.27Å; F232-E281 WeakPolarHBondContact CE2-O 3.43Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 2.7Å
282	E	95.3	Very high	95.4	Very high	75 Å²	75	37.2 Å²	37.2	35%	0.35	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.1	171.4	-56.3	-165.1	132.1	0	0	110.5	I278 I279 Q280 Y284 K298	I278-E282 WeakPolarHBondContact CA-O 3.38Å; I279-E282 PolarHBondContact N-O 2.98Å; I279-E282 WeakPolarHBondContact O-CB 3.22Å; I279-E282 PolarHBondContact O-N 2.95Å; Q280-E282 PolarHBondContact O-N 2.84Å; E282-Y284 HydrophobicContact CB-CE2 3.77Å; E282-Y284 PolarHBondContact OE2-OH 2.97Å; E282-K298 VanDerWaalsContact CD-CE 3.43Å; E282-K298 VanDerWaalsContact OE1-CE 3.29Å; E282-K298 WeakPolarHBondContact OE1-CE 3.48Å; E282-K298 IonicContact OE1-NZ 3.35Å; E282-K298 PolarHBondContact OE1-NZ 2.83Å; E282-K298 VanDerWaalsContact OE2-CE 3.26Å; E282-K298 WeakPolarHBondContact OE2-CE 3.24Å; E282-K298 IonicContact OE2-NZ 2.65Å; E282-K298 PolarHBondContact OE2-NZ 2.83Å
283	V	97.2	Very high	95.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.7	-179.2	-174.4	0	0	0	0	109.7	F230 F232 I278 F299 F306	F230-V283 HydrophobicContact CD2-CG1 4.01Å; F230-V283 HydrophobicContact CE2-CG1 3.66Å; F230-V283 HydrophobicContact CE2-CG2 4.25Å; F230-V283 HydrophobicContact CZ-CG1 3.98Å; F232-V283 HydrophobicContact CB-CG2 4.01Å; F232-V283 HydrophobicContact CD1-CG2 3.98Å; F232-V283 HydrophobicContact CD2-CG2 3.37Å; F232-V283 HydrophobicContact CE1-CG2 4.27Å; F232-V283 HydrophobicContact CE2-CG2 3.73Å; F232-V283 HydrophobicContact CG-CG2 3.51Å; F232-V283 HydrophobicContact CZ-CG2 4.15Å; I278-V283 HydrophobicContact CG1-CG2 4.37Å; V283-F299 HydrophobicContact CB-CB 3.87Å; V283-F299 PolarHBondContact O-N 3.07Å; V283-F306 HydrophobicContact CG1-CE1 4.01Å; V283-F306 HydrophobicContact CG1-CZ 4.02Å
284	Y	98	Very high	95	Very high	4 Å²	4	37 Å²	37	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.6	172.2	-55.3	-98.8	0	0	0	110.6	S276 V277 I279 E282 I296 Y297 K298 F309 W350	S276-Y284 CarbonylContact C-O 3.53Å; S276-Y284 WeakPolarHBondContact CA-O 3.5Å; V277-Y284 HydrophobicContact CG2-CD2 4.46Å; V277-Y284 HydrophobicContact CG2-CG 4.49Å; V277-Y284 PolarHBondContact N-O 2.81Å; V277-Y284 PolarHBondContact O-N 2.93Å; I279-Y284 HydrophobicContact CB-CD2 4.44Å; I279-Y284 HydrophobicContact CB-CE2 4.07Å; I279-Y284 HydrophobicContact CD1-CD2 4.32Å; I279-Y284 HydrophobicContact CD1-CE2 4.4Å; I279-Y284 HydrophobicContact CG1-CD2 4.33Å; I279-Y284 HydrophobicContact CG1-CE2 4.4Å; E282-Y284 HydrophobicContact CB-CE2 3.77Å; E282-Y284 PolarHBondContact OE2-OH 2.97Å; Y284-I296 HydrophobicContact CD1-CG2 4.22Å; Y284-Y297 CarbonylContact C-O 3.59Å; Y284-Y297 WeakPolarHBondContact CA-O 2.99Å; Y284-K298 HydrophobicContact CD1-CB 3.84Å; Y284-K298 HydrophobicContact CD1-CG 4.15Å; Y284-K298 HydrophobicContact CE1-CB 3.87Å; Y284-K298 HydrophobicContact CE1-CD 3.8Å; Y284-K298 HydrophobicContact CE1-CG 3.83Å; Y284-F309 HydrophobicContact CD1-CD1 4.02Å; Y284-F309 HydrophobicContact CD1-CE1 4.28Å; Y284-F309 HydrophobicContact CD1-CG 4.39Å; Y284-F309 AromaticContact CE1-CD1 3.83Å; Y284-F309 HydrophobicContact CE1-CD1 3.83Å; Y284-F309 HydrophobicContact CE1-CD2 4.35Å; Y284-F309 AromaticContact CE1-CE1 3.73Å; Y284-F309 HydrophobicContact CE1-CE1 3.73Å; Y284-F309 HydrophobicContact CE1-CE2 4.27Å; Y284-F309 HydrophobicContact CE1-CG 4.14Å; Y284-F309 AromaticContact CE1-CZ 3.95Å; Y284-F309 HydrophobicContact CE1-CZ 3.95Å; Y284-W350 HydrophobicContact CE1-CH2 4.12Å; Y284-W350 HydrophobicContact CE1-CZ3 4.34Å; Y284-W350 HydrophobicContact CE2-CH2 4.21Å; Y284-W350 AromaticContact CZ-CH2 3.66Å; Y284-W350 WeakPolarHBondContact OH-CH2 3.23Å
285	V	98.3	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.5	172.7	-180	0	0	0	0	108.7	T239 I266 C274 K275 V287 Y297 F306	T239-V285 HydrophobicContact CG2-CG2 4.24Å; I266-V285 HydrophobicContact CD1-CB 4.09Å; I266-V285 HydrophobicContact CD1-CG1 4.14Å; I266-V285 HydrophobicContact CD1-CG2 4.4Å; C274-V285 HydrophobicContact CB-CG1 4.29Å; K275-V285 WeakPolarHBondContact O-CA 3.44Å; V285-V287 HydrophobicContact CG1-CG2 3.92Å; V285-Y297 PolarHBondContact N-O 2.85Å; V285-Y297 PolarHBondContact O-N 2.95Å; V285-F306 HydrophobicContact CB-CE1 4.43Å; V285-F306 HydrophobicContact CG2-CD1 4.07Å; V285-F306 HydrophobicContact CG2-CE1 3.53Å; V285-F306 HydrophobicContact CG2-CZ 3.9Å
286	I	98.1	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.2	174.5	-56.7	151.1	0	0	0	107.1	C274 K275 V277 I296 I323 F334	C274-I286 WeakPolarHBondContact CA-O 3.14Å; K275-I286 PolarHBondContact N-O 3.27Å; K275-I286 PolarHBondContact O-N 2.94Å; V277-I286 HydrophobicContact CG1-CD1 4.09Å; V277-I286 HydrophobicContact CG2-CD1 4.35Å; I286-I296 HydrophobicContact CG1-CG1 4.39Å; I286-I323 HydrophobicContact CG2-CD1 4.24Å; I286-I323 HydrophobicContact CG2-CG2 4.29Å; I286-F334 HydrophobicContact CD1-CB 3.88Å; I286-F334 HydrophobicContact CD1-CD1 3.39Å; I286-F334 HydrophobicContact CD1-CD2 4.27Å; I286-F334 HydrophobicContact CD1-CE1 3.89Å; I286-F334 HydrophobicContact CD1-CG 3.6Å; I286-F334 HydrophobicContact CG1-CD1 4.14Å; I286-F334 HydrophobicContact CG1-CE1 4.12Å; I286-F334 HydrophobicContact CG2-CD2 4.38Å; I286-F334 HydrophobicContact CG2-CE2 4.09Å; I286-F334 HydrophobicContact CG2-CZ 4.16Å
287	V	97.8	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.6	-175.9	-178.8	0	0	0	0	109	I266 I271 G273 V285 Q289 S294 H295 Y297	I266-V287 HydrophobicContact CG2-CG2 4.2Å; I271-V287 HydrophobicContact CB-CG1 4.43Å; I271-V287 HydrophobicContact CD1-CG1 3.72Å; I271-V287 HydrophobicContact CG1-CG1 3.85Å; I271-V287 HydrophobicContact CG2-CG1 3.75Å; G273-V287 WeakPolarHBondContact O-CA 3.2Å; V285-V287 HydrophobicContact CG1-CG2 3.92Å; V287-Q289 HydrophobicContact CG1-CG 4.08Å; V287-S294 WeakPolarHBondContact O-CA 3.09Å; V287-S294 WeakPolarHBondContact O-CB 3.37Å; V287-H295 PolarHBondContact N-O 3.47Å; V287-H295 PolarHBondContact O-N 3.08Å; V287-Y297 HydrophobicContact CB-CD2 4.28Å; V287-Y297 HydrophobicContact CB-CE2 4.19Å; V287-Y297 HydrophobicContact CG2-CD2 3.66Å; V287-Y297 HydrophobicContact CG2-CE2 3.92Å
288	A	96.4	Very high	94.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.5	175.9	0	0	0	0	0	111.9	I271 V272 G273 S294 P320 I323	I271-A288 WeakPolarHBondContact CA-O 3.5Å; V272-A288 PolarHBondContact N-O 3.47Å; G273-A288 PolarHBondContact O-N 2.62Å; A288-S294 WeakPolarHBondContact CA-OG 3.45Å; A288-P320 HydrophobicContact CB-CB 3.85Å; A288-P320 HydrophobicContact CB-CG 4.02Å; A288-I323 HydrophobicContact CB-CD1 3.42Å; A288-I323 VanDerWaalsContact CB-CD1 3.42Å; A288-I323 HydrophobicContact CB-CG1 3.86Å
289	Q	95	Very high	94.9	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.7	-173.2	-54.5	-172	13.6	0	0	111.6	Q269 I271 V287 F291 G293 S294 P320	Q269-Q289 WeakPolarHBondContact O-CB 3.36Å; I271-Q289 HydrophobicContact CG1-CG 4.15Å; V287-Q289 HydrophobicContact CG1-CG 4.08Å; Q289-F291 VanDerWaalsContact C-N 3.31Å; Q289-F291 VanDerWaalsContact CB-O 3.24Å; Q289-F291 WeakPolarHBondContact CB-O 3.38Å; Q289-F291 PolarHBondContact OE1-O 2.73Å; Q289-G293 WeakPolarHBondContact CB-O 3.5Å; Q289-S294 PolarHBondContact N-OG 2.94Å; Q289-P320 VanDerWaalsContact O-CG 3.25Å; Q289-P320 WeakPolarHBondContact O-CG 3.37Å
290	L	93.2	Very high	94.9	Very high	59 Å²	59	39.4 Å²	39.4	31%	0.309	20%	0.204	S	C	.	.	S	Bend	trans	-76.3	-20	174.3	-67.1	177.3	0	0	0	113.6	S270 V272 K319	S270-L290 PolarHBondContact O-N 2.93Å; S270-L290 VanDerWaalsContact O-N 3.17Å; V272-L290 HydrophobicContact CG2-CD1 4.05Å; V272-L290 HydrophobicContact CG2-CD2 3.82Å; V272-L290 HydrophobicContact CG2-CG 3.49Å; V272-L290 VanDerWaalsContact CG2-CG 3.49Å; L290-K319 HydrophobicContact CD2-CB 4.48Å; L290-K319 HydrophobicContact CD2-CD 3.88Å; L290-K319 PolarHBondContact O-NZ 3.31Å
291	F	89.5	Confident	94.8	Very high	114 Å²	114	36.5 Å²	36.5	50%	0.5	19%	0.193	S	C	.	.	S	Bend	trans	-137.2	153.8	-178.2	-61.5	-79.2	0	0	0	109.3	Q269 Q289 G293	Q269-F291 HydrophobicContact CB-CB 4.41Å; Q289-F291 VanDerWaalsContact C-N 3.31Å; Q289-F291 VanDerWaalsContact CB-O 3.24Å; Q289-F291 WeakPolarHBondContact CB-O 3.38Å; Q289-F291 PolarHBondContact OE1-O 2.73Å; F291-G293 PolarHBondContact O-N 2.85Å; F291-G293 VanDerWaalsContact O-N 3.11Å
292	G	84.8	Confident	94.7	Very high	62 Å²	62	35.9 Å²	35.9	64%	0.639	20%	0.195	S	C	*	.	S	Bend	trans	77.4	-13.2	178.2	0	0	0	0	0	115.9
293	G	89.6	Confident	94.5	Very high	12 Å²	12	37.5 Å²	37.5	12%	0.124	20%	0.203	C	C	.	.			trans	90.1	159.6	-176.8	0	0	0	0	0	111.9	Q289 F291 H295	Q289-G293 WeakPolarHBondContact CB-O 3.5Å; F291-G293 PolarHBondContact O-N 2.85Å; F291-G293 VanDerWaalsContact O-N 3.11Å; G293-H295 PolarHBondContact O-NE2 2.9Å
294	S	94.1	Very high	94.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	23%	0.225	C	C	.	.			trans	-88.1	150	179.1	-56.1	0	0	0	0	110.5	V287 A288 Q289 T312	V287-S294 WeakPolarHBondContact O-CA 3.09Å; V287-S294 WeakPolarHBondContact O-CB 3.37Å; A288-S294 WeakPolarHBondContact CA-OG 3.45Å; Q289-S294 PolarHBondContact N-OG 2.94Å; S294-T312 VanDerWaalsContact C-OG1 3.22Å; S294-T312 WeakPolarHBondContact CA-OG1 3.2Å; S294-T312 VanDerWaalsContact CB-OG1 3.27Å; S294-T312 WeakPolarHBondContact CB-OG1 3.28Å; S294-T312 WeakPolarHBondContact O-CB 3.42Å; S294-T312 WeakPolarHBondContact O-CG2 3.23Å; S294-T312 PolarHBondContact O-N 2.83Å; S294-T312 PolarHBondContact O-OG1 3.21Å
295	H	95.9	Very high	94	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.4	-174.1	-54	-54.9	0	0	0	111.1	V287 G293 Y297 K308 Q310 D311	V287-H295 PolarHBondContact N-O 3.47Å; V287-H295 PolarHBondContact O-N 3.08Å; G293-H295 PolarHBondContact O-NE2 2.9Å; H295-Y297 HydrophobicContact CB-CD2 4.42Å; H295-Y297 HydrophobicContact CB-CE2 3.81Å; H295-K308 PolarHBondContact CE1-NZ 3.35Å; H295-K308 PolarHBondContact ND1-NZ 3.27Å; H295-Q310 CarbonylContact C-O 3.55Å; H295-Q310 WeakPolarHBondContact CA-O 3.27Å; H295-D311 IonicContact CE1-OD1 2.74Å; H295-D311 PolarHBondContact CE1-OD1 2.75Å; H295-D311 IonicContact ND1-OD1 2.71Å; H295-D311 PolarHBondContact ND1-OD1 3.35Å
296	I	97.4	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.1	174.5	-54.8	173.6	0	0	0	107.3	Y284 I286 F309 Q310 T312 F334 F355	Y284-I296 HydrophobicContact CD1-CG2 4.22Å; I286-I296 HydrophobicContact CG1-CG1 4.39Å; I296-F309 HydrophobicContact CG2-CD1 4.12Å; I296-F309 WeakPolarHBondContact O-CA 3.49Å; I296-F309 WeakPolarHBondContact O-CB 3.39Å; I296-F309 PolarHBondContact O-N 2.79Å; I296-Q310 HydrophobicContact CB-CB 4.15Å; I296-Q310 HydrophobicContact CD1-CB 4.39Å; I296-Q310 PolarHBondContact N-O 3.5Å; I296-Q310 PolarHBondContact O-N 3.32Å; I296-T312 HydrophobicContact CD1-CG2 4.46Å; I296-T312 HydrophobicContact CG1-CG2 4.23Å; I296-F334 HydrophobicContact CD1-CE1 4.04Å; I296-F334 HydrophobicContact CD1-CZ 4.25Å; I296-F355 HydrophobicContact CD1-CB 3.73Å; I296-F355 HydrophobicContact CD1-CD2 3.86Å; I296-F355 HydrophobicContact CD1-CG 4.2Å
297	Y	98.2	Very high	93.9	Very high	27 Å²	27	48.9 Å²	48.9	11%	0.106	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.3	176.7	-70.2	-100.8	0	0	0	109.4	I266 T267 Y284 V285 V287 H295 N307 K308	I266-Y297 HydrophobicContact CD1-CG 4.25Å; I266-Y297 HydrophobicContact CG1-CD1 4.43Å; I266-Y297 HydrophobicContact CG1-CG 4.48Å; I266-Y297 HydrophobicContact CG2-CD1 3.7Å; I266-Y297 HydrophobicContact CG2-CD2 3.66Å; I266-Y297 HydrophobicContact CG2-CE1 3.53Å; I266-Y297 HydrophobicContact CG2-CE2 3.43Å; I266-Y297 VanDerWaalsContact CG2-CE2 3.43Å; I266-Y297 HydrophobicContact CG2-CG 3.79Å; T267-Y297 PolarHBondContact O-OH 2.8Å; Y284-Y297 CarbonylContact C-O 3.59Å; Y284-Y297 WeakPolarHBondContact CA-O 2.99Å; V285-Y297 PolarHBondContact N-O 2.85Å; V285-Y297 PolarHBondContact O-N 2.95Å; V287-Y297 HydrophobicContact CB-CD2 4.28Å; V287-Y297 HydrophobicContact CB-CE2 4.19Å; V287-Y297 HydrophobicContact CG2-CD2 3.66Å; V287-Y297 HydrophobicContact CG2-CE2 3.92Å; H295-Y297 HydrophobicContact CB-CD2 4.42Å; H295-Y297 HydrophobicContact CB-CE2 3.81Å; Y297-N307 CarbonylContact C-O 3.46Å; Y297-N307 VanDerWaalsContact CA-O 3.28Å; Y297-N307 WeakPolarHBondContact CA-O 3.41Å; Y297-K308 HydrophobicContact CD1-CB 4.1Å; Y297-K308 HydrophobicContact CE1-CB 3.72Å; Y297-K308 HydrophobicContact CE1-CG 4.4Å
298	K	97.7	Very high	93.9	Very high	56 Å²	56	53.7 Å²	53.7	24%	0.243	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.4	175.7	176.8	176.9	170.3	168.9	0	108.9	E282 Y284 N307 F309	E282-K298 VanDerWaalsContact CD-CE 3.43Å; E282-K298 VanDerWaalsContact OE1-CE 3.29Å; E282-K298 WeakPolarHBondContact OE1-CE 3.48Å; E282-K298 IonicContact OE1-NZ 3.35Å; E282-K298 PolarHBondContact OE1-NZ 2.83Å; E282-K298 VanDerWaalsContact OE2-CE 3.26Å; E282-K298 WeakPolarHBondContact OE2-CE 3.24Å; E282-K298 IonicContact OE2-NZ 2.65Å; E282-K298 PolarHBondContact OE2-NZ 2.83Å; Y284-K298 HydrophobicContact CD1-CB 3.84Å; Y284-K298 HydrophobicContact CD1-CG 4.15Å; Y284-K298 HydrophobicContact CE1-CB 3.87Å; Y284-K298 HydrophobicContact CE1-CD 3.8Å; Y284-K298 HydrophobicContact CE1-CG 3.83Å; K298-N307 PolarHBondContact N-O 3.21Å; K298-N307 PolarHBondContact O-N 3.44Å; K298-F309 HydrophobicContact CB-CB 3.71Å; K298-F309 HydrophobicContact CB-CD2 4.03Å; K298-F309 HydrophobicContact CB-CG 3.97Å; K298-F309 HydrophobicContact CD-CD2 4Å; K298-F309 HydrophobicContact CD-CE2 4.24Å
299	F	97.1	Very high	93.9	Very high	20 Å²	20	57 Å²	57	9%	0.088	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.7	173.2	-175.1	-113.4	0	0	0	110.4	F232 Y263 V283 D301 F306	F232-F299 AromaticContact CE1-CD1 3.88Å; F232-F299 HydrophobicContact CE1-CD1 3.88Å; F232-F299 AromaticContact CE1-CE1 3.83Å; F232-F299 HydrophobicContact CE1-CE1 3.83Å; F232-F299 HydrophobicContact CZ-CD1 4.44Å; Y263-F299 AromaticContact CE1-CE2 3.74Å; Y263-F299 HydrophobicContact CE1-CE2 3.74Å; Y263-F299 HydrophobicContact CE1-CZ 4.34Å; Y263-F299 WeakPolarHBondContact OH-CE2 3.38Å; Y263-F299 WeakPolarHBondContact OH-CZ 3.38Å; V283-F299 HydrophobicContact CB-CB 3.87Å; V283-F299 PolarHBondContact O-N 3.07Å; F299-D301 HydrophobicContact CE1-CB 4.45Å; F299-F306 HydrophobicContact CB-CD1 4.02Å; F299-F306 HydrophobicContact CB-CE1 3.6Å; F299-F306 HydrophobicContact CB-CZ 3.92Å; F299-F306 HydrophobicContact CD2-CD2 4.1Å; F299-F306 HydrophobicContact CD2-CE1 4.32Å; F299-F306 AromaticContact CD2-CE2 3.83Å; F299-F306 HydrophobicContact CD2-CE2 3.83Å; F299-F306 HydrophobicContact CD2-CG 4.45Å; F299-F306 AromaticContact CD2-CZ 3.96Å; F299-F306 HydrophobicContact CD2-CZ 3.96Å; F299-F306 HydrophobicContact CG-CE1 4.38Å; F299-F306 HydrophobicContact CG-CZ 4.26Å
300	D	94.9	Very high	94	Very high	43 Å²	43	58.1 Å²	58.1	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.5	175.3	-176.4	-31.9	0	0	0	108.4	D302 Q303 S304 R305 N307	D300-D302 WeakPolarHBondContact OD1-CB 3.26Å; D300-D302 PolarHBondContact OD1-N 2.65Å; D300-Q303 HydrophobicContact CB-CB 4.27Å; D300-Q303 PolarHBondContact OD1-N 3.34Å; D300-Q303 VanDerWaalsContact OD1-N 3.12Å; D300-Q303 PolarHBondContact OD2-NE2 2.69Å; D300-S304 WeakPolarHBondContact O-CA 3.08Å; D300-S304 PolarHBondContact O-N 2.58Å; D300-R305 PolarHBondContact N-O 3.19Å; D300-R305 PolarHBondContact O-N 3.33Å; D300-N307 WeakPolarHBondContact CB-ND2 3.31Å; D300-N307 PolarHBondContact OD2-ND2 3.01Å
301	D	89.8	Confident	94	Very high	87 Å²	87	59.4 Å²	59.4	47%	0.465	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.9	-175.7	-154.5	49.3	0	0	0	111.9	K233 F299 Q303 S304	K233-D301 IonicContact NZ-OD1 2.81Å; K233-D301 PolarHBondContact NZ-OD1 3.22Å; K233-D301 IonicContact NZ-OD2 3.76Å; K233-D301 PolarHBondContact NZ-OD2 3.4Å; F299-D301 HydrophobicContact CE1-CB 4.45Å; D301-Q303 VanDerWaalsContact C-N 3.33Å; D301-Q303 PolarHBondContact O-N 2.81Å; D301-S304 PolarHBondContact O-N 3.47Å; D301-S304 PolarHBondContact O-OG 3.36Å
302	D	90.9	Very high	93.8	Very high	157 Å²	157	54.2 Å²	54.2	84%	0.84	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-37.1	-178.1	-67.7	-34.8	0	0	0	111.1	D300	D300-D302 WeakPolarHBondContact OD1-CB 3.26Å; D300-D302 PolarHBondContact OD1-N 2.65Å
303	Q	90.6	Very high	93.6	Very high	108 Å²	108	55.2 Å²	55.2	51%	0.505	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.4	179.1	-60.9	-178	50.1	0	0	113.3	D300 D301 R305 N307	D300-Q303 HydrophobicContact CB-CB 4.27Å; D300-Q303 PolarHBondContact OD1-N 3.34Å; D300-Q303 VanDerWaalsContact OD1-N 3.12Å; D300-Q303 PolarHBondContact OD2-NE2 2.69Å; D301-Q303 VanDerWaalsContact C-N 3.33Å; D301-Q303 PolarHBondContact O-N 2.81Å; Q303-R305 HydrophobicContact CB-CG 3.66Å; Q303-R305 PolarHBondContact O-N 3.44Å; Q303-N307 PolarHBondContact NE2-ND2 3.05Å
304	S	90.8	Very high	92.8	Very high	68 Å²	68	58.8 Å²	58.8	48%	0.476	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	41.8	-175	-60	0	0	0	0	113	D300 D301	D300-S304 WeakPolarHBondContact O-CA 3.08Å; D300-S304 PolarHBondContact O-N 2.58Å; D301-S304 PolarHBondContact O-N 3.47Å; D301-S304 PolarHBondContact O-OG 3.36Å
305	R	94.6	Very high	92	Very high	120 Å²	120	64 Å²	64	45%	0.453	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.3	-176.8	69.4	-179.3	-65.5	177	3.9	112.5	D264 D300 Q303	D264-R305 WeakPolarHBondContact OD2-CA 3.44Å; D300-R305 PolarHBondContact N-O 3.19Å; D300-R305 PolarHBondContact O-N 3.33Å; Q303-R305 HydrophobicContact CB-CG 3.66Å; Q303-R305 PolarHBondContact O-N 3.44Å
306	F	97.3	Very high	91.3	Very high	10 Å²	10	66 Å²	66	4%	0.044	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.5	172.3	-74.4	-87.2	0	0	0	111.6	F230 V250 D264 I266 V283 V285 F299	F230-F306 HydrophobicContact CZ-CZ 4.22Å; V250-F306 HydrophobicContact CG1-CE2 4.16Å; V250-F306 HydrophobicContact CG2-CD2 4.12Å; V250-F306 HydrophobicContact CG2-CE2 4Å; D264-F306 HydrophobicContact CB-CD2 4.4Å; D264-F306 PolarHBondContact OD2-N 3.28Å; I266-F306 HydrophobicContact CD1-CB 3.67Å; I266-F306 HydrophobicContact CD1-CD1 4.19Å; I266-F306 HydrophobicContact CD1-CD2 4.16Å; I266-F306 HydrophobicContact CD1-CG 3.74Å; I266-F306 HydrophobicContact CG1-CB 3.58Å; I266-F306 HydrophobicContact CG1-CD2 4.45Å; I266-F306 HydrophobicContact CG1-CG 4.13Å; V283-F306 HydrophobicContact CG1-CE1 4.01Å; V283-F306 HydrophobicContact CG1-CZ 4.02Å; V285-F306 HydrophobicContact CB-CE1 4.43Å; V285-F306 HydrophobicContact CG2-CD1 4.07Å; V285-F306 HydrophobicContact CG2-CE1 3.53Å; V285-F306 HydrophobicContact CG2-CZ 3.9Å; F299-F306 HydrophobicContact CB-CD1 4.02Å; F299-F306 HydrophobicContact CB-CE1 3.6Å; F299-F306 HydrophobicContact CB-CZ 3.92Å; F299-F306 HydrophobicContact CD2-CD2 4.1Å; F299-F306 HydrophobicContact CD2-CE1 4.32Å; F299-F306 AromaticContact CD2-CE2 3.83Å; F299-F306 HydrophobicContact CD2-CE2 3.83Å; F299-F306 HydrophobicContact CD2-CG 4.45Å; F299-F306 AromaticContact CD2-CZ 3.96Å; F299-F306 HydrophobicContact CD2-CZ 3.96Å; F299-F306 HydrophobicContact CG-CE1 4.38Å; F299-F306 HydrophobicContact CG-CZ 4.26Å
307	N	97	Very high	90.9	Very high	47 Å²	47	66.9 Å²	66.9	25%	0.251	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.6	176.4	-72.2	-39.1	0	0	0	110	Y297 K298 D300 Q303 F309	Y297-N307 CarbonylContact C-O 3.46Å; Y297-N307 VanDerWaalsContact CA-O 3.28Å; Y297-N307 WeakPolarHBondContact CA-O 3.41Å; K298-N307 PolarHBondContact N-O 3.21Å; K298-N307 PolarHBondContact O-N 3.44Å; D300-N307 WeakPolarHBondContact CB-ND2 3.31Å; D300-N307 PolarHBondContact OD2-ND2 3.01Å; Q303-N307 PolarHBondContact NE2-ND2 3.05Å; N307-F309 PolarHBondContact O-N 3.22Å
308	K	96.9	Very high	90.6	Very high	102 Å²	102	68 Å²	68	44%	0.443	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122.8	177.8	-176.3	177.2	175.1	177.5	0	109	H295 Y297 D311	H295-K308 PolarHBondContact CE1-NZ 3.35Å; H295-K308 PolarHBondContact ND1-NZ 3.27Å; Y297-K308 HydrophobicContact CD1-CB 4.1Å; Y297-K308 HydrophobicContact CE1-CB 3.72Å; Y297-K308 HydrophobicContact CE1-CG 4.4Å; K308-D311 WeakPolarHBondContact CE-OD1 3.48Å; K308-D311 VanDerWaalsContact CE-OD2 3.31Å; K308-D311 WeakPolarHBondContact CE-OD2 3.37Å; K308-D311 VanDerWaalsContact NZ-CG 3.27Å; K308-D311 IonicContact NZ-OD1 2.71Å; K308-D311 PolarHBondContact NZ-OD1 3.14Å; K308-D311 IonicContact NZ-OD2 2.69Å; K308-D311 PolarHBondContact NZ-OD2 3.29Å; K308-D311 VanDerWaalsContact NZ-OD2 3.16Å
309	F	96.7	Very high	90.5	Very high	71 Å²	71	68.6 Å²	68.6	31%	0.311	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-45.2	-176	175.4	-109.3	0	0	0	111.8	Y284 I296 K298 N307 W350 N353	Y284-F309 HydrophobicContact CD1-CD1 4.02Å; Y284-F309 HydrophobicContact CD1-CE1 4.28Å; Y284-F309 HydrophobicContact CD1-CG 4.39Å; Y284-F309 AromaticContact CE1-CD1 3.83Å; Y284-F309 HydrophobicContact CE1-CD1 3.83Å; Y284-F309 HydrophobicContact CE1-CD2 4.35Å; Y284-F309 AromaticContact CE1-CE1 3.73Å; Y284-F309 HydrophobicContact CE1-CE1 3.73Å; Y284-F309 HydrophobicContact CE1-CE2 4.27Å; Y284-F309 HydrophobicContact CE1-CG 4.14Å; Y284-F309 AromaticContact CE1-CZ 3.95Å; Y284-F309 HydrophobicContact CE1-CZ 3.95Å; I296-F309 HydrophobicContact CG2-CD1 4.12Å; I296-F309 WeakPolarHBondContact O-CA 3.49Å; I296-F309 WeakPolarHBondContact O-CB 3.39Å; I296-F309 PolarHBondContact O-N 2.79Å; K298-F309 HydrophobicContact CB-CB 3.71Å; K298-F309 HydrophobicContact CB-CD2 4.03Å; K298-F309 HydrophobicContact CB-CG 3.97Å; K298-F309 HydrophobicContact CD-CD2 4Å; K298-F309 HydrophobicContact CD-CE2 4.24Å; N307-F309 PolarHBondContact O-N 3.22Å; F309-W350 HydrophobicContact CE1-CH2 4.41Å; F309-W350 HydrophobicContact CE1-CZ3 4.29Å; F309-W350 HydrophobicContact CZ-CH2 4.39Å; F309-N353 WeakPolarHBondContact CZ-O 3.47Å
310	Q	96.3	Very high	90.5	Very high	33 Å²	33	67.7 Å²	67.7	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	146.2	-175.3	-161.6	-168.5	-30.4	0	0	112.5	H295 I296 F355	H295-Q310 CarbonylContact C-O 3.55Å; H295-Q310 WeakPolarHBondContact CA-O 3.27Å; I296-Q310 HydrophobicContact CB-CB 4.15Å; I296-Q310 HydrophobicContact CD1-CB 4.39Å; I296-Q310 PolarHBondContact N-O 3.5Å; I296-Q310 PolarHBondContact O-N 3.32Å; Q310-F355 PolarHBondContact NE2-O 2.71Å; Q310-F355 PolarHBondContact OE1-O 2.74Å
311	D	93.1	Very high	90.6	Very high	87 Å²	87	69.1 Å²	69.1	47%	0.465	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134	163.1	-73	-75.8	0	0	0	110.8	H295 K308	H295-D311 IonicContact CE1-OD1 2.74Å; H295-D311 PolarHBondContact CE1-OD1 2.75Å; H295-D311 IonicContact ND1-OD1 2.71Å; H295-D311 PolarHBondContact ND1-OD1 3.35Å; K308-D311 WeakPolarHBondContact CE-OD1 3.48Å; K308-D311 VanDerWaalsContact CE-OD2 3.31Å; K308-D311 WeakPolarHBondContact CE-OD2 3.37Å; K308-D311 VanDerWaalsContact NZ-CG 3.27Å; K308-D311 IonicContact NZ-OD1 2.71Å; K308-D311 PolarHBondContact NZ-OD1 3.14Å; K308-D311 IonicContact NZ-OD2 2.69Å; K308-D311 PolarHBondContact NZ-OD2 3.29Å; K308-D311 VanDerWaalsContact NZ-OD2 3.16Å
312	T	86.9	Confident	90.9	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.031	35%	0.346	C	S	.	.			trans	-77	153.8	169.3	65.5	0	0	0	0	110.5	S294 I296 V314	S294-T312 VanDerWaalsContact C-OG1 3.22Å; S294-T312 WeakPolarHBondContact CA-OG1 3.2Å; S294-T312 VanDerWaalsContact CB-OG1 3.27Å; S294-T312 WeakPolarHBondContact CB-OG1 3.28Å; S294-T312 WeakPolarHBondContact O-CB 3.42Å; S294-T312 WeakPolarHBondContact O-CG2 3.23Å; S294-T312 PolarHBondContact O-N 2.83Å; S294-T312 PolarHBondContact O-OG1 3.21Å; I296-T312 HydrophobicContact CD1-CG2 4.46Å; I296-T312 HydrophobicContact CG1-CG2 4.23Å; T312-V314 PolarHBondContact O-N 2.84Å
313	E	80.4	Confident	91.3	Very high	82 Å²	82	59.5 Å²	59.5	38%	0.383	31%	0.308	S	S	.	.			trans	-65.4	98.8	177.9	-74.2	178.6	-164.9	0	0	111.1	S315 K316 S357	E313-S315 PolarHBondContact O-N 2.84Å; E313-K316 PolarHBondContact O-N 2.84Å; E313-K316 IonicContact OE2-NZ 3.03Å; E313-S357 WeakPolarHBondContact OE2-CB 3.44Å
314	V	73.1	Confident	91.6	Very high	87 Å²	87	55.9 Å²	55.9	53%	0.527	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.6	-176.3	-173.5	0	0	0	0	112.9	T312 K316	T312-V314 PolarHBondContact O-N 2.84Å; V314-K316 PolarHBondContact O-N 3.23Å
315	S	76.7	Confident	92	Very high	112 Å²	112	53.4 Å²	53.4	78%	0.783	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.8	-176.1	57.1	0	0	0	0	114.3	E313	E313-S315 PolarHBondContact O-N 2.84Å
316	K	80.4	Confident	92.1	Very high	65 Å²	65	48.2 Å²	48.2	28%	0.283	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-25.5	-177	-61.1	-171.7	-175.6	-176.5	0	113.8	E313 V314 G343 L344 T346 S357	E313-K316 PolarHBondContact O-N 2.84Å; E313-K316 IonicContact OE2-NZ 3.03Å; V314-K316 PolarHBondContact O-N 3.23Å; K316-G343 CarbonylContact O-C 3.59Å; K316-G343 WeakPolarHBondContact O-CA 3.31Å; K316-L344 PolarHBondContact O-N 2.96Å; K316-T346 HydrophobicContact CD-CG2 4.27Å; K316-S357 PolarHBondContact NZ-OG 2.77Å
317	I	89.6	Confident	92.1	Very high	17 Å²	17	52 Å²	52	9%	0.087	27%	0.274	C	S	.	.			trans	-108.5	129.8	-176.9	-61.6	173.8	0	0	0	109.1	P320 I336 D338 Y348	I317-P320 HydrophobicContact CG2-CB 4.07Å; I317-P320 HydrophobicContact CG2-CG 4.17Å; I317-I336 HydrophobicContact CD1-CB 3.96Å; I317-I336 HydrophobicContact CD1-CD1 3.54Å; I317-I336 HydrophobicContact CD1-CG1 4.29Å; I317-I336 HydrophobicContact CD1-CG2 4Å; I317-I336 HydrophobicContact CG2-CG2 4.31Å; I317-D338 WeakPolarHBondContact CA-OD2 3.1Å; I317-Y348 HydrophobicContact CD1-CE2 3.9Å; I317-Y348 WeakPolarHBondContact CD1-OH 3.26Å
318	S	92.2	Very high	92.1	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	27%	0.269	S	S	.	.	S	Bend	trans	-122	-46.9	-178.7	149.8	0	0	0	0	112.2	D338 S340	S318-D338 PolarHBondContact N-OD2 2.92Å; S318-S340 VanDerWaalsContact CB-OG 3.23Å; S318-S340 WeakPolarHBondContact CB-OG 3.49Å; S318-S340 WeakPolarHBondContact OG-CB 3.22Å; S318-S340 PolarHBondContact OG-OG 3.5Å
319	K	95.3	Very high	91.9	Very high	70 Å²	70	49.8 Å²	49.8	30%	0.304	28%	0.283	S	S	.	.	S	Bend	trans	-137.4	77	179.2	-64.3	-66.2	164.1	-162.1	0	111.3	L290 N321 D338 S339	L290-K319 HydrophobicContact CD2-CB 4.48Å; L290-K319 HydrophobicContact CD2-CD 3.88Å; L290-K319 PolarHBondContact O-NZ 3.31Å; K319-N321 PolarHBondContact O-N 3.4Å; K319-D338 PolarHBondContact N-OD1 3.01Å; K319-D338 VanDerWaalsContact N-OD1 3.13Å; K319-D338 PolarHBondContact N-OD2 2.97Å; K319-S339 WeakPolarHBondContact CB-OG 3.45Å; K319-S339 PolarHBondContact O-N 2.77Å; K319-S339 PolarHBondContact O-OG 2.69Å
320	P	96.1	Very high	91.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.9	178.3	29.3	-35.5	0	0	0	110.2	A288 Q289 I317 I336 A337	A288-P320 HydrophobicContact CB-CB 3.85Å; A288-P320 HydrophobicContact CB-CG 4.02Å; Q289-P320 VanDerWaalsContact O-CG 3.25Å; Q289-P320 WeakPolarHBondContact O-CG 3.37Å; I317-P320 HydrophobicContact CG2-CB 4.07Å; I317-P320 HydrophobicContact CG2-CG 4.17Å; P320-I336 HydrophobicContact CB-CG2 3.5Å; P320-A337 WeakPolarHBondContact CA-O 3.33Å
321	N	97.1	Very high	91.6	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-33.2	178.9	-163.6	80.6	0	0	0	112.9	V272 K319 A337 T368	V272-N321 WeakPolarHBondContact CG1-O 3.45Å; K319-N321 PolarHBondContact O-N 3.4Å; N321-A337 PolarHBondContact N-O 2.84Å; N321-T368 PolarHBondContact ND2-O 3.02Å
322	D	98.1	Very high	91.9	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.5	-178	176.6	51.1	0	0	0	111.1	I336 A337 A370	D322-I336 WeakPolarHBondContact O-CA 3.22Å; D322-A337 HydrophobicContact CB-CB 4.12Å; D322-A337 PolarHBondContact O-N 3Å; D322-A370 PolarHBondContact OD2-N 3.14Å
323	I	98.1	Very high	92.4	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.3	178	-43.8	173.7	0	0	0	108.8	K275 I286 A288 F334 V335 I336	K275-I323 HydrophobicContact CB-CB 4.03Å; K275-I323 HydrophobicContact CB-CD1 4.34Å; K275-I323 HydrophobicContact CB-CG2 3.75Å; K275-I323 HydrophobicContact CG-CG2 4.17Å; I286-I323 HydrophobicContact CG2-CD1 4.24Å; I286-I323 HydrophobicContact CG2-CG2 4.29Å; A288-I323 HydrophobicContact CB-CD1 3.42Å; A288-I323 VanDerWaalsContact CB-CD1 3.42Å; A288-I323 HydrophobicContact CB-CG1 3.86Å; I323-F334 HydrophobicContact CG2-CD2 4.38Å; I323-V335 WeakPolarHBondContact CA-O 3.31Å; I323-I336 HydrophobicContact CG1-CG1 4.36Å; I323-I336 HydrophobicContact CG2-CG1 4.32Å
324	E	98	Very high	93.2	Very high	32 Å²	32	46.5 Å²	46.5	15%	0.15	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135	174.5	-164.4	51.2	-110.6	0	0	110.4	K275 F326 F334 V335 A370 F372	K275-E324 VanDerWaalsContact NZ-CD 3.31Å; K275-E324 IonicContact NZ-OE1 2.96Å; K275-E324 PolarHBondContact NZ-OE1 3.43Å; K275-E324 IonicContact NZ-OE2 2.62Å; K275-E324 PolarHBondContact NZ-OE2 3.4Å; K275-E324 VanDerWaalsContact NZ-OE2 3.1Å; E324-F326 HydrophobicContact CG-CD1 4.48Å; E324-F334 CarbonylContact O-C 3.49Å; E324-F334 WeakPolarHBondContact O-CA 3.41Å; E324-F334 WeakPolarHBondContact O-CB 3.43Å; E324-V335 HydrophobicContact CB-CG1 3.9Å; E324-V335 PolarHBondContact N-O 3.39Å; E324-V335 PolarHBondContact O-N 3.45Å; E324-A370 HydrophobicContact CB-CB 4.45Å; E324-A370 WeakPolarHBondContact CB-O 3.42Å; E324-F372 HydrophobicContact CG-CB 4.26Å
325	A	97.9	Very high	94.4	Very high	17 Å²	17	42.3 Å²	42.3	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.7	-174.8	0	0	0	0	0	109.8	K275 V277 F333 F334	K275-A325 HydrophobicContact CG-CB 3.86Å; V277-A325 HydrophobicContact CG1-CB 3.53Å; A325-F333 WeakPolarHBondContact CA-O 3.46Å; A325-F334 HydrophobicContact CB-CB 4.07Å
326	F	97.9	Very high	95.4	Very high	10 Å²	10	37 Å²	37	4%	0.044	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	167.1	-170.5	54.7	-94	0	0	0	112.2	E324 I328 F333 V335 L347 F372 L381 F402	E324-F326 HydrophobicContact CG-CD1 4.48Å; F326-I328 HydrophobicContact CD2-CD1 4.44Å; F326-I328 HydrophobicContact CD2-CG1 4.13Å; F326-I328 HydrophobicContact CE2-CD1 4.02Å; F326-I328 HydrophobicContact CE2-CG1 4.21Å; F326-F333 HydrophobicContact CD2-CB 4.08Å; F326-F333 HydrophobicContact CE2-CB 3.7Å; F326-F333 HydrophobicContact CE2-CD2 4.4Å; F326-F333 HydrophobicContact CE2-CG 4.23Å; F326-F333 HydrophobicContact CZ-CB 4.06Å; F326-F333 PolarHBondContact N-O 2.88Å; F326-F333 PolarHBondContact O-N 3.14Å; F326-V335 HydrophobicContact CE1-CB 4.46Å; F326-V335 HydrophobicContact CE1-CG1 4.04Å; F326-L347 HydrophobicContact CE1-CD1 4.31Å; F326-L347 HydrophobicContact CE2-CD1 4.32Å; F326-L347 HydrophobicContact CZ-CD1 3.57Å; F326-F372 HydrophobicContact CB-CB 4Å; F326-F372 HydrophobicContact CB-CD1 3.45Å; F326-F372 VanDerWaalsContact CB-CD1 3.45Å; F326-F372 HydrophobicContact CB-CD2 4.04Å; F326-F372 HydrophobicContact CB-CE1 3.86Å; F326-F372 HydrophobicContact CB-CE2 4.38Å; F326-F372 HydrophobicContact CB-CG 3.55Å; F326-F372 HydrophobicContact CB-CZ 4.31Å; F326-F372 HydrophobicContact CD1-CB 3.51Å; F326-F372 HydrophobicContact CD1-CD1 4.48Å; F326-F372 AromaticContact CD1-CD2 3.85Å; F326-F372 HydrophobicContact CD1-CD2 3.85Å; F326-F372 AromaticContact CD1-CG 3.7Å; F326-F372 HydrophobicContact CD1-CG 3.7Å; F326-F372 HydrophobicContact CD2-CD1 4.29Å; F326-F372 AromaticContact CD2-CD2 3.34Å; F326-F372 HydrophobicContact CD2-CD2 3.34Å; F326-F372 HydrophobicContact CD2-CE1 4.36Å; F326-F372 AromaticContact CD2-CE2 3.42Å; F326-F372 HydrophobicContact CD2-CE2 3.42Å; F326-F372 VanDerWaalsContact CD2-CE2 3.42Å; F326-F372 AromaticContact CD2-CG 3.79Å; F326-F372 HydrophobicContact CD2-CG 3.79Å; F326-F372 AromaticContact CD2-CZ 3.95Å; F326-F372 HydrophobicContact CD2-CZ 3.95Å; F326-F372 HydrophobicContact CE1-CB 4.05Å; F326-F372 HydrophobicContact CE1-CD2 4.08Å; F326-F372 HydrophobicContact CE1-CG 4.3Å; F326-F372 AromaticContact CE2-CD2 3.6Å; F326-F372 HydrophobicContact CE2-CD2 3.6Å; F326-F372 AromaticContact CE2-CE2 3.76Å; F326-F372 HydrophobicContact CE2-CE2 3.76Å; F326-F372 HydrophobicContact CE2-CG 4.38Å; F326-F372 HydrophobicContact CG-CB 3.77Å; F326-F372 AromaticContact CG-CD1 3.86Å; F326-F372 HydrophobicContact CG-CD1 3.86Å; F326-F372 AromaticContact CG-CD2 3.47Å; F326-F372 HydrophobicContact CG-CD2 3.47Å; F326-F372 VanDerWaalsContact CG-CD2 3.47Å; F326-F372 HydrophobicContact CG-CE1 4.31Å; F326-F372 AromaticContact CG-CE2 3.95Å; F326-F372 HydrophobicContact CG-CE2 3.95Å; F326-F372 AromaticContact CG-CG 3.4Å; F326-F372 HydrophobicContact CG-CG 3.4Å; F326-F372 HydrophobicContact CG-CZ 4.35Å; F326-F372 AromaticContact CZ-CD2 3.95Å; F326-F372 HydrophobicContact CZ-CD2 3.95Å; F326-L381 HydrophobicContact CE1-CD1 4.2Å; F326-F402 HydrophobicContact CE2-CE2 4.12Å; F326-F402 HydrophobicContact CE2-CZ 4.11Å; F326-F402 HydrophobicContact CZ-CE2 4.07Å; F326-F402 HydrophobicContact CZ-CZ 4.24Å
327	Q	96.8	Very high	96.3	Very high	91 Å²	91	33.9 Å²	33.9	43%	0.425	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.5	175.9	-67.6	-176.9	-46.9	0	0	111.5	D331 W332	Q327-D331 WeakPolarHBondContact CA-O 3.35Å; Q327-W332 VanDerWaalsContact CD-CE2 3.49Å; Q327-W332 VanDerWaalsContact CD-CZ2 3.48Å; Q327-W332 HydrophobicContact CG-CD2 3.45Å; Q327-W332 VanDerWaalsContact CG-CD2 3.45Å; Q327-W332 HydrophobicContact CG-CE3 3.51Å; Q327-W332 HydrophobicContact CG-CG 4.09Å; Q327-W332 HydrophobicContact CG-CH2 3.8Å; Q327-W332 HydrophobicContact CG-CZ2 3.76Å; Q327-W332 HydrophobicContact CG-CZ3 3.68Å
328	I	96.4	Very high	96.6	Very high	28 Å²	28	33.2 Å²	33.2	14%	0.144	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	103.2	166.8	-54.4	178.2	0	0	0	107.6	F326 A330 D331 F333 F372 A379 W395 F402	F326-I328 HydrophobicContact CD2-CD1 4.44Å; F326-I328 HydrophobicContact CD2-CG1 4.13Å; F326-I328 HydrophobicContact CE2-CD1 4.02Å; F326-I328 HydrophobicContact CE2-CG1 4.21Å; I328-A330 PolarHBondContact O-N 2.89Å; I328-D331 PolarHBondContact N-O 3.27Å; I328-D331 PolarHBondContact O-N 3.3Å; I328-F333 HydrophobicContact CB-CD2 4.42Å; I328-F333 HydrophobicContact CB-CE2 4.02Å; I328-F333 HydrophobicContact CD1-CD2 4.43Å; I328-F333 HydrophobicContact CD1-CE2 4.32Å; I328-F333 HydrophobicContact CG1-CD2 4.25Å; I328-F333 HydrophobicContact CG1-CE2 4.25Å; I328-F372 HydrophobicContact CD1-CE2 4.29Å; I328-F372 HydrophobicContact CG1-CE2 4.09Å; I328-F372 HydrophobicContact CG1-CZ 4.22Å; I328-A379 HydrophobicContact CD1-CB 3.99Å; I328-A379 HydrophobicContact CG1-CB 4.1Å; I328-A379 HydrophobicContact CG2-CB 4.37Å; I328-W395 HydrophobicContact CD1-CB 4.48Å; I328-W395 HydrophobicContact CD1-CD2 3.68Å; I328-W395 HydrophobicContact CD1-CE3 3.71Å; I328-W395 HydrophobicContact CD1-CG 4.04Å; I328-W395 HydrophobicContact CD1-CZ3 4.15Å; I328-W395 HydrophobicContact CG2-CG 4.4Å; I328-F402 HydrophobicContact CD1-CE2 4.12Å; I328-F402 HydrophobicContact CD1-CZ 3.83Å
329	G	92.9	Very high	96.8	Very high	73 Å²	73	32.5 Å²	32.5	75%	0.753	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	-126	-169.1	0	0	0	0	0	110.3
330	A	92.4	Very high	96.8	Very high	97 Å²	97	30 Å²	30	80%	0.802	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.4	176.4	0	0	0	0	0	113.4	I328	I328-A330 PolarHBondContact O-N 2.89Å
331	D	95.1	Very high	96.8	Very high	60 Å²	60	35.1 Å²	35.1	32%	0.321	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.7	-176.2	-73.2	-44.4	0	0	0	110.6	Q327 I328 F333 K349	Q327-D331 WeakPolarHBondContact CA-O 3.35Å; I328-D331 PolarHBondContact N-O 3.27Å; I328-D331 PolarHBondContact O-N 3.3Å; D331-F333 HydrophobicContact CB-CD2 4.25Å; D331-F333 HydrophobicContact CB-CE2 3.4Å; D331-F333 HydrophobicContact CB-CZ 3.88Å; D331-F333 WeakPolarHBondContact O-CD2 3.47Å; D331-K349 WeakPolarHBondContact OD1-CE 3.5Å; D331-K349 IonicContact OD1-NZ 2.85Å; D331-K349 PolarHBondContact OD1-NZ 2.78Å; D331-K349 IonicContact OD2-NZ 2.79Å; D331-K349 PolarHBondContact OD2-NZ 3.19Å
332	W	97.6	Very high	96.5	Very high	51 Å²	51	35.6 Å²	35.6	19%	0.193	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.9	171.6	-85.2	104.6	0	0	0	111.7	V277 I278 I279 Q327 W350 F355	V277-W332 HydrophobicContact CG1-CZ3 4.4Å; I278-W332 VanDerWaalsContact O-CZ2 3.3Å; I278-W332 WeakPolarHBondContact O-CZ2 3.49Å; I279-W332 HydrophobicContact CD1-CB 4.27Å; I279-W332 HydrophobicContact CD1-CG 4.13Å; I279-W332 HydrophobicContact CG1-CD2 4.31Å; I279-W332 HydrophobicContact CG1-CG 4.06Å; Q327-W332 VanDerWaalsContact CD-CE2 3.49Å; Q327-W332 VanDerWaalsContact CD-CZ2 3.48Å; Q327-W332 HydrophobicContact CG-CD2 3.45Å; Q327-W332 VanDerWaalsContact CG-CD2 3.45Å; Q327-W332 HydrophobicContact CG-CE3 3.51Å; Q327-W332 HydrophobicContact CG-CG 4.09Å; Q327-W332 HydrophobicContact CG-CH2 3.8Å; Q327-W332 HydrophobicContact CG-CZ2 3.76Å; Q327-W332 HydrophobicContact CG-CZ3 3.68Å; W332-W350 HydrophobicContact CB-CB 3.79Å; W332-W350 HydrophobicContact CB-CG 4.46Å; W332-W350 PolarHBondContact O-N 2.64Å; W332-F355 HydrophobicContact CB-CE1 4.3Å; W332-F355 HydrophobicContact CB-CZ 4.38Å
333	F	98.1	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.3	174.9	-60.6	-94.5	0	0	0	111	A325 F326 I328 D331 L347 Y348 K349 Y358 W395	A325-F333 WeakPolarHBondContact CA-O 3.46Å; F326-F333 HydrophobicContact CD2-CB 4.08Å; F326-F333 HydrophobicContact CE2-CB 3.7Å; F326-F333 HydrophobicContact CE2-CD2 4.4Å; F326-F333 HydrophobicContact CE2-CG 4.23Å; F326-F333 HydrophobicContact CZ-CB 4.06Å; F326-F333 PolarHBondContact N-O 2.88Å; F326-F333 PolarHBondContact O-N 3.14Å; I328-F333 HydrophobicContact CB-CD2 4.42Å; I328-F333 HydrophobicContact CB-CE2 4.02Å; I328-F333 HydrophobicContact CD1-CD2 4.43Å; I328-F333 HydrophobicContact CD1-CE2 4.32Å; I328-F333 HydrophobicContact CG1-CD2 4.25Å; I328-F333 HydrophobicContact CG1-CE2 4.25Å; D331-F333 HydrophobicContact CB-CD2 4.25Å; D331-F333 HydrophobicContact CB-CE2 3.4Å; D331-F333 HydrophobicContact CB-CZ 3.88Å; D331-F333 WeakPolarHBondContact O-CD2 3.47Å; F333-L347 HydrophobicContact CB-CD1 3.88Å; F333-L347 HydrophobicContact CD1-CD1 4.12Å; F333-L347 HydrophobicContact CD1-CD2 4.06Å; F333-L347 HydrophobicContact CD1-CG 4.02Å; F333-L347 HydrophobicContact CE1-CD2 4.45Å; F333-L347 HydrophobicContact CG-CD1 4.36Å; F333-Y348 WeakPolarHBondContact CA-O 3.41Å; F333-Y348 WeakPolarHBondContact CB-O 3.22Å; F333-Y348 WeakPolarHBondContact CD1-O 3.5Å; F333-K349 HydrophobicContact CD1-CB 3.78Å; F333-K349 HydrophobicContact CD1-CG 3.98Å; F333-K349 HydrophobicContact CE1-CB 3.61Å; F333-K349 HydrophobicContact CE1-CD 3.69Å; F333-K349 HydrophobicContact CE1-CG 3.49Å; F333-K349 VanDerWaalsContact CE1-CG 3.49Å; F333-K349 HydrophobicContact CZ-CD 3.84Å; F333-K349 HydrophobicContact CZ-CG 3.91Å; F333-Y358 HydrophobicContact CE1-CD1 4.08Å; F333-Y358 HydrophobicContact CE1-CE1 4.2Å; F333-Y358 HydrophobicContact CE1-CG 4.39Å; F333-W395 HydrophobicContact CE1-CH2 4.31Å; F333-W395 AromaticContact CZ-CH2 3.98Å; F333-W395 HydrophobicContact CZ-CH2 3.98Å
334	F	97.9	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.3	157.5	72.4	-100.2	0	0	0	110	I286 I296 I323 E324 A325 I336 Y348 F355	I286-F334 HydrophobicContact CD1-CB 3.88Å; I286-F334 HydrophobicContact CD1-CD1 3.39Å; I286-F334 HydrophobicContact CD1-CD2 4.27Å; I286-F334 HydrophobicContact CD1-CE1 3.89Å; I286-F334 HydrophobicContact CD1-CG 3.6Å; I286-F334 HydrophobicContact CG1-CD1 4.14Å; I286-F334 HydrophobicContact CG1-CE1 4.12Å; I286-F334 HydrophobicContact CG2-CD2 4.38Å; I286-F334 HydrophobicContact CG2-CE2 4.09Å; I286-F334 HydrophobicContact CG2-CZ 4.16Å; I296-F334 HydrophobicContact CD1-CE1 4.04Å; I296-F334 HydrophobicContact CD1-CZ 4.25Å; I323-F334 HydrophobicContact CG2-CD2 4.38Å; E324-F334 CarbonylContact O-C 3.49Å; E324-F334 WeakPolarHBondContact O-CA 3.41Å; E324-F334 WeakPolarHBondContact O-CB 3.43Å; A325-F334 HydrophobicContact CB-CB 4.07Å; F334-I336 HydrophobicContact CD2-CD1 4.37Å; F334-I336 HydrophobicContact CD2-CG1 4Å; F334-I336 HydrophobicContact CE2-CD1 3.7Å; F334-I336 HydrophobicContact CE2-CG1 3.82Å; F334-Y348 AromaticContact CD2-CD2 3.89Å; F334-Y348 HydrophobicContact CD2-CD2 3.89Å; F334-Y348 HydrophobicContact CD2-CG 4.35Å; F334-Y348 HydrophobicContact CE1-CG 4.08Å; F334-Y348 HydrophobicContact CE2-CD1 4.48Å; F334-Y348 AromaticContact CE2-CD2 3.21Å; F334-Y348 HydrophobicContact CE2-CD2 3.21Å; F334-Y348 AromaticContact CE2-CE2 3.86Å; F334-Y348 HydrophobicContact CE2-CE2 3.86Å; F334-Y348 AromaticContact CE2-CG 3.6Å; F334-Y348 HydrophobicContact CE2-CG 3.6Å; F334-Y348 HydrophobicContact CZ-CD1 4.04Å; F334-Y348 AromaticContact CZ-CD2 3.6Å; F334-Y348 HydrophobicContact CZ-CD2 3.6Å; F334-Y348 HydrophobicContact CZ-CE2 4.31Å; F334-Y348 AromaticContact CZ-CG 3.44Å; F334-Y348 HydrophobicContact CZ-CG 3.44Å; F334-Y348 VanDerWaalsContact CZ-CG 3.44Å; F334-Y348 PolarHBondContact N-O 3.09Å; F334-Y348 VanDerWaalsContact N-O 3.13Å; F334-Y348 PolarHBondContact O-N 3.4Å; F334-F355 HydrophobicContact CD1-CB 4.32Å; F334-F355 AromaticContact CD1-CD1 3.49Å; F334-F355 HydrophobicContact CD1-CD1 3.49Å; F334-F355 VanDerWaalsContact CD1-CD1 3.49Å; F334-F355 HydrophobicContact CD1-CD2 4.23Å; F334-F355 AromaticContact CD1-CE1 3.66Å; F334-F355 HydrophobicContact CD1-CE1 3.66Å; F334-F355 HydrophobicContact CD1-CE2 4.37Å; F334-F355 AromaticContact CD1-CG 3.79Å; F334-F355 HydrophobicContact CD1-CG 3.79Å; F334-F355 HydrophobicContact CD1-CZ 4.08Å; F334-F355 HydrophobicContact CE1-CB 3.47Å; F334-F355 VanDerWaalsContact CE1-CB 3.47Å; F334-F355 AromaticContact CE1-CD1 3.54Å; F334-F355 HydrophobicContact CE1-CD1 3.54Å; F334-F355 AromaticContact CE1-CD2 3.88Å; F334-F355 HydrophobicContact CE1-CD2 3.88Å; F334-F355 HydrophobicContact CE1-CE1 4.15Å; F334-F355 HydrophobicContact CE1-CE2 4.43Å; F334-F355 AromaticContact CE1-CG 3.37Å; F334-F355 HydrophobicContact CE1-CG 3.37Å; F334-F355 HydrophobicContact CZ-CB 4.23Å
335	V	98.1	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.6	173.9	63.5	0	0	0	0	109.2	I323 E324 F326 T346 L347 A370 L381	I323-V335 WeakPolarHBondContact CA-O 3.31Å; E324-V335 HydrophobicContact CB-CG1 3.9Å; E324-V335 PolarHBondContact N-O 3.39Å; E324-V335 PolarHBondContact O-N 3.45Å; F326-V335 HydrophobicContact CE1-CB 4.46Å; F326-V335 HydrophobicContact CE1-CG1 4.04Å; V335-T346 WeakPolarHBondContact CA-O 3.36Å; V335-L347 HydrophobicContact CB-CD1 4.2Å; V335-A370 HydrophobicContact CG1-CB 3.58Å; V335-L381 HydrophobicContact CG1-CD1 4.18Å; V335-L381 HydrophobicContact CG2-CD2 4.39Å
336	I	97.9	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	168.1	-66.5	175.1	0	0	0	107.3	I317 P320 D322 I323 F334 S345 T346 Y348	I317-I336 HydrophobicContact CD1-CB 3.96Å; I317-I336 HydrophobicContact CD1-CD1 3.54Å; I317-I336 HydrophobicContact CD1-CG1 4.29Å; I317-I336 HydrophobicContact CD1-CG2 4Å; I317-I336 HydrophobicContact CG2-CG2 4.31Å; P320-I336 HydrophobicContact CB-CG2 3.5Å; D322-I336 WeakPolarHBondContact O-CA 3.22Å; I323-I336 HydrophobicContact CG1-CG1 4.36Å; I323-I336 HydrophobicContact CG2-CG1 4.32Å; F334-I336 HydrophobicContact CD2-CD1 4.37Å; F334-I336 HydrophobicContact CD2-CG1 4Å; F334-I336 HydrophobicContact CE2-CD1 3.7Å; F334-I336 HydrophobicContact CE2-CG1 3.82Å; I336-S345 VanDerWaalsContact O-CA 3.26Å; I336-S345 WeakPolarHBondContact O-CA 3.49Å; I336-T346 PolarHBondContact N-O 2.76Å; I336-T346 VanDerWaalsContact N-O 3.09Å; I336-T346 PolarHBondContact O-N 3.42Å; I336-T346 VanDerWaalsContact O-N 3.1Å; I336-Y348 HydrophobicContact CD1-CE2 4.42Å
337	A	97.9	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.8	172.3	0	0	0	0	0	109.7	P320 N321 D322 D367 A370	P320-A337 WeakPolarHBondContact CA-O 3.33Å; N321-A337 PolarHBondContact N-O 2.84Å; D322-A337 HydrophobicContact CB-CB 4.12Å; D322-A337 PolarHBondContact O-N 3Å; A337-D367 HydrophobicContact CB-CB 4.12Å; A337-A370 HydrophobicContact CB-CB 4.27Å
338	D	97.1	Very high	95.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.3	-179.7	-159.6	-60.3	0	0	0	111.9	I317 S318 K319 S340 S345 D367	I317-D338 WeakPolarHBondContact CA-OD2 3.1Å; S318-D338 PolarHBondContact N-OD2 2.92Å; K319-D338 PolarHBondContact N-OD1 3.01Å; K319-D338 VanDerWaalsContact N-OD1 3.13Å; K319-D338 PolarHBondContact N-OD2 2.97Å; D338-S340 VanDerWaalsContact C-N 3.3Å; D338-S340 PolarHBondContact O-N 3.28Å; D338-S340 WeakPolarHBondContact OD1-CA 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.29Å; D338-S340 WeakPolarHBondContact OD1-CB 3.34Å; D338-S340 PolarHBondContact OD1-N 2.83Å; D338-S340 PolarHBondContact OD1-OG 2.62Å; D338-S345 PolarHBondContact N-OG 3.3Å; D338-D367 CarbonylContact C-O 3.53Å; D338-D367 VanDerWaalsContact C-O 3.26Å; D338-D367 PolarHBondContact O-N 3.36Å
339	S	96.8	Very high	95.9	Very high	36 Å²	36	29.5 Å²	29.5	25%	0.252	19%	0.194	S	C	.	.			trans	-85	-1.3	-177.9	63	0	0	0	0	113.8	K319 R366 D367	K319-S339 WeakPolarHBondContact CB-OG 3.45Å; K319-S339 PolarHBondContact O-N 2.77Å; K319-S339 PolarHBondContact O-OG 2.69Å; S339-R366 VanDerWaalsContact O-CB 3.3Å; S339-R366 WeakPolarHBondContact O-CB 3.3Å; S339-R366 WeakPolarHBondContact O-CD 3.46Å; S339-R366 WeakPolarHBondContact O-CG 3.37Å; S339-D367 VanDerWaalsContact CA-O 3.23Å; S339-D367 WeakPolarHBondContact CA-O 3.4Å; S339-D367 PolarHBondContact N-O 3.37Å
340	S	95.6	Very high	96.1	Very high	18 Å²	18	27 Å²	27	13%	0.126	16%	0.161	C	C	.	.	S	Bend	trans	-99.6	148	175.7	74.6	0	0	0	0	111.9	S318 D338 A342 G343	S318-S340 VanDerWaalsContact CB-OG 3.23Å; S318-S340 WeakPolarHBondContact CB-OG 3.49Å; S318-S340 WeakPolarHBondContact OG-CB 3.22Å; S318-S340 PolarHBondContact OG-OG 3.5Å; D338-S340 VanDerWaalsContact C-N 3.3Å; D338-S340 PolarHBondContact O-N 3.28Å; D338-S340 WeakPolarHBondContact OD1-CA 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.29Å; D338-S340 WeakPolarHBondContact OD1-CB 3.34Å; D338-S340 PolarHBondContact OD1-N 2.83Å; D338-S340 PolarHBondContact OD1-OG 2.62Å; S340-A342 VanDerWaalsContact C-N 3.25Å; S340-A342 PolarHBondContact O-N 2.96Å; S340-G343 PolarHBondContact OG-N 2.87Å
341	K	94.3	Very high	96.2	Very high	107 Å²	107	26 Å²	26	47%	0.465	14%	0.143	S	C	.	.	S	Bend	trans	-68.9	-23.6	176.4	-71.8	-168.2	167.1	-167.4	0	114.1	W364 R366	K341-W364 VanDerWaalsContact O-CE3 3.28Å; K341-R366 HydrophobicContact CG-CG 3.97Å
342	A	91	Very high	95.9	Very high	83 Å²	83	28.6 Å²	28.6	69%	0.686	16%	0.157	S	C	*	.	S	Bend	trans	-89	-29	-177.1	0	0	0	0	0	112	S340	S340-A342 VanDerWaalsContact C-N 3.25Å; S340-A342 PolarHBondContact O-N 2.96Å
343	G	91.1	Very high	95.7	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	18%	0.18	C	C	.	.	S	Bend	trans	-76.7	160.2	169.2	0	0	0	0	0	111.1	K316 S340	K316-G343 CarbonylContact O-C 3.59Å; K316-G343 WeakPolarHBondContact O-CA 3.31Å; S340-G343 PolarHBondContact OG-N 2.87Å
344	L	93.8	Very high	95.5	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.215	18%	0.18	C	C	.	.			trans	-121.7	129.1	177	-60.8	178.4	0	0	0	108.6	K316 T346 E363	K316-L344 PolarHBondContact O-N 2.96Å; L344-T346 PolarHBondContact O-N 2.77Å; L344-T346 VanDerWaalsContact O-N 3.09Å; L344-T346 PolarHBondContact O-OG1 2.96Å; L344-E363 HydrophobicContact CD2-CB 3.96Å; L344-E363 HydrophobicContact CD2-CG 3.83Å
345	S	97.1	Very high	95.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	118.7	168.4	-67.9	0	0	0	0	108.8	I336 D338 L361 D367	I336-S345 VanDerWaalsContact O-CA 3.26Å; I336-S345 WeakPolarHBondContact O-CA 3.49Å; D338-S345 PolarHBondContact N-OG 3.3Å; S345-L361 PolarHBondContact O-N 2.91Å; S345-D367 VanDerWaalsContact CB-OD2 3.28Å; S345-D367 WeakPolarHBondContact CB-OD2 3.26Å; S345-D367 VanDerWaalsContact OG-CB 3.31Å; S345-D367 WeakPolarHBondContact OG-CB 3.25Å; S345-D367 PolarHBondContact OG-OD2 2.97Å
346	T	97.5	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.9	-164.4	-62.7	0	0	0	0	110.5	K316 V335 I336 L344 Y348 S357	K316-T346 HydrophobicContact CD-CG2 4.27Å; V335-T346 WeakPolarHBondContact CA-O 3.36Å; I336-T346 PolarHBondContact N-O 2.76Å; I336-T346 VanDerWaalsContact N-O 3.09Å; I336-T346 PolarHBondContact O-N 3.42Å; I336-T346 VanDerWaalsContact O-N 3.1Å; L344-T346 PolarHBondContact O-N 2.77Å; L344-T346 VanDerWaalsContact O-N 3.09Å; L344-T346 PolarHBondContact O-OG1 2.96Å; T346-Y348 HydrophobicContact CG2-CD2 4.12Å; T346-Y348 HydrophobicContact CG2-CE1 4.48Å; T346-Y348 HydrophobicContact CG2-CE2 3.55Å; T346-Y348 WeakPolarHBondContact O-CD2 3.24Å; T346-Y348 WeakPolarHBondContact O-CE2 3.2Å; T346-S357 VanDerWaalsContact CG2-OG 3.24Å; T346-S357 WeakPolarHBondContact CG2-OG 3.36Å
347	L	97.3	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.2	171	-175.3	68	0	0	0	109.5	F326 F333 V335 Y358 Q359 F402	F326-L347 HydrophobicContact CE1-CD1 4.31Å; F326-L347 HydrophobicContact CE2-CD1 4.32Å; F326-L347 HydrophobicContact CZ-CD1 3.57Å; F333-L347 HydrophobicContact CB-CD1 3.88Å; F333-L347 HydrophobicContact CD1-CD1 4.12Å; F333-L347 HydrophobicContact CD1-CD2 4.06Å; F333-L347 HydrophobicContact CD1-CG 4.02Å; F333-L347 HydrophobicContact CE1-CD2 4.45Å; F333-L347 HydrophobicContact CG-CD1 4.36Å; V335-L347 HydrophobicContact CB-CD1 4.2Å; L347-Y358 HydrophobicContact CD2-CD1 3.96Å; L347-Y358 WeakPolarHBondContact O-CB 3.4Å; L347-Y358 PolarHBondContact O-N 3.42Å; L347-Q359 HydrophobicContact CB-CB 4.24Å; L347-Q359 WeakPolarHBondContact CB-O 3.31Å; L347-Q359 HydrophobicContact CD2-CB 4.38Å; L347-Q359 PolarHBondContact N-O 2.68Å; L347-Q359 PolarHBondContact O-N 3.24Å; L347-F402 HydrophobicContact CD2-CD2 3.73Å; L347-F402 HydrophobicContact CD2-CE2 3.85Å
348	Y	97.4	Very high	95	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.8	175.3	-66.7	-98.8	0	0	0	109.8	I317 F333 F334 I336 T346 Y356	I317-Y348 HydrophobicContact CD1-CE2 3.9Å; I317-Y348 WeakPolarHBondContact CD1-OH 3.26Å; F333-Y348 WeakPolarHBondContact CA-O 3.41Å; F333-Y348 WeakPolarHBondContact CB-O 3.22Å; F333-Y348 WeakPolarHBondContact CD1-O 3.5Å; F334-Y348 AromaticContact CD2-CD2 3.89Å; F334-Y348 HydrophobicContact CD2-CD2 3.89Å; F334-Y348 HydrophobicContact CD2-CG 4.35Å; F334-Y348 HydrophobicContact CE1-CG 4.08Å; F334-Y348 HydrophobicContact CE2-CD1 4.48Å; F334-Y348 AromaticContact CE2-CD2 3.21Å; F334-Y348 HydrophobicContact CE2-CD2 3.21Å; F334-Y348 AromaticContact CE2-CE2 3.86Å; F334-Y348 HydrophobicContact CE2-CE2 3.86Å; F334-Y348 AromaticContact CE2-CG 3.6Å; F334-Y348 HydrophobicContact CE2-CG 3.6Å; F334-Y348 HydrophobicContact CZ-CD1 4.04Å; F334-Y348 AromaticContact CZ-CD2 3.6Å; F334-Y348 HydrophobicContact CZ-CD2 3.6Å; F334-Y348 HydrophobicContact CZ-CE2 4.31Å; F334-Y348 AromaticContact CZ-CG 3.44Å; F334-Y348 HydrophobicContact CZ-CG 3.44Å; F334-Y348 VanDerWaalsContact CZ-CG 3.44Å; F334-Y348 PolarHBondContact N-O 3.09Å; F334-Y348 VanDerWaalsContact N-O 3.13Å; F334-Y348 PolarHBondContact O-N 3.4Å; I336-Y348 HydrophobicContact CD1-CE2 4.42Å; T346-Y348 HydrophobicContact CG2-CD2 4.12Å; T346-Y348 HydrophobicContact CG2-CE1 4.48Å; T346-Y348 HydrophobicContact CG2-CE2 3.55Å; T346-Y348 WeakPolarHBondContact O-CD2 3.24Å; T346-Y348 WeakPolarHBondContact O-CE2 3.2Å; Y348-Y356 CarbonylContact C-O 3.59Å; Y348-Y356 VanDerWaalsContact CA-O 3.25Å; Y348-Y356 WeakPolarHBondContact CA-O 3.46Å
349	K	97.2	Very high	95	Very high	43 Å²	43	42.6 Å²	42.6	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.4	178.5	-175.7	179	177	172.1	0	110.4	D331 F333 F355 Y356 Y358	D331-K349 WeakPolarHBondContact OD1-CE 3.5Å; D331-K349 IonicContact OD1-NZ 2.85Å; D331-K349 PolarHBondContact OD1-NZ 2.78Å; D331-K349 IonicContact OD2-NZ 2.79Å; D331-K349 PolarHBondContact OD2-NZ 3.19Å; F333-K349 HydrophobicContact CD1-CB 3.78Å; F333-K349 HydrophobicContact CD1-CG 3.98Å; F333-K349 HydrophobicContact CE1-CB 3.61Å; F333-K349 HydrophobicContact CE1-CD 3.69Å; F333-K349 HydrophobicContact CE1-CG 3.49Å; F333-K349 VanDerWaalsContact CE1-CG 3.49Å; F333-K349 HydrophobicContact CZ-CD 3.84Å; F333-K349 HydrophobicContact CZ-CG 3.91Å; K349-F355 WeakPolarHBondContact O-CA 3.49Å; K349-Y356 PolarHBondContact N-O 3.37Å; K349-Y356 PolarHBondContact O-N 3.36Å; K349-Y358 HydrophobicContact CB-CD2 3.8Å; K349-Y358 HydrophobicContact CB-CG 3.9Å; K349-Y358 HydrophobicContact CD-CD2 3.9Å; K349-Y358 HydrophobicContact CD-CE2 3.8Å; K349-Y358 HydrophobicContact CG-CD2 4.43Å
350	W	96.8	Very high	95	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.076	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.8	170.2	-177.7	-103.6	0	0	0	111.9	I279 Y284 F309 W332 D352 G354 F355	I279-W350 HydrophobicContact CD1-CD2 3.67Å; I279-W350 HydrophobicContact CD1-CE3 3.64Å; I279-W350 HydrophobicContact CD1-CG 4.11Å; I279-W350 HydrophobicContact CD1-CH2 4.49Å; I279-W350 HydrophobicContact CD1-CZ3 4.05Å; I279-W350 HydrophobicContact CG2-CD2 4.4Å; I279-W350 HydrophobicContact CG2-CZ2 4.28Å; Y284-W350 HydrophobicContact CE1-CH2 4.12Å; Y284-W350 HydrophobicContact CE1-CZ3 4.34Å; Y284-W350 HydrophobicContact CE2-CH2 4.21Å; Y284-W350 AromaticContact CZ-CH2 3.66Å; Y284-W350 WeakPolarHBondContact OH-CH2 3.23Å; F309-W350 HydrophobicContact CE1-CH2 4.41Å; F309-W350 HydrophobicContact CE1-CZ3 4.29Å; F309-W350 HydrophobicContact CZ-CH2 4.39Å; W332-W350 HydrophobicContact CB-CB 3.79Å; W332-W350 HydrophobicContact CB-CG 4.46Å; W332-W350 PolarHBondContact O-N 2.64Å; W350-D352 VanDerWaalsContact CZ2-O 3.31Å; W350-D352 WeakPolarHBondContact CZ2-O 3.27Å; W350-G354 WeakPolarHBondContact CA-O 3.43Å; W350-F355 HydrophobicContact CB-CD1 4.16Å; W350-F355 HydrophobicContact CB-CE1 3.85Å; W350-F355 HydrophobicContact CB-CZ 4.25Å; W350-F355 HydrophobicContact CD2-CE2 4.5Å; W350-F355 HydrophobicContact CE3-CD1 4.42Å; W350-F355 AromaticContact CE3-CD2 3.53Å; W350-F355 HydrophobicContact CE3-CD2 3.53Å; W350-F355 HydrophobicContact CE3-CE1 4.35Å; W350-F355 AromaticContact CE3-CE2 3.46Å; W350-F355 HydrophobicContact CE3-CE2 3.46Å; W350-F355 VanDerWaalsContact CE3-CE2 3.46Å; W350-F355 HydrophobicContact CE3-CG 4.04Å; W350-F355 AromaticContact CE3-CZ 3.91Å; W350-F355 HydrophobicContact CE3-CZ 3.91Å; W350-F355 AromaticContact CZ3-CD2 3.89Å; W350-F355 HydrophobicContact CZ3-CD2 3.89Å; W350-F355 AromaticContact CZ3-CE2 3.91Å; W350-F355 HydrophobicContact CZ3-CE2 3.91Å
351	N	94.2	Very high	95	Very high	77 Å²	77	41.9 Å²	41.9	41%	0.412	22%	0.22	S	C	.	.			trans	-133.3	37.8	178.2	73.9	-6.7	0	0	0	113.7	N353 G354 Y356	N351-N353 PolarHBondContact O-N 3.39Å; N351-N353 PolarHBondContact OD1-N 3.37Å; N351-G354 PolarHBondContact N-O 2.75Å; N351-G354 PolarHBondContact OD1-N 2.85Å; N351-G354 PolarHBondContact OD1-O 3.41Å; N351-Y356 HydrophobicContact CB-CD2 4.44Å; N351-Y356 WeakPolarHBondContact ND2-CD2 3.49Å; N351-Y356 WeakPolarHBondContact ND2-CE2 3.4Å; N351-Y356 VanDerWaalsContact OD1-CD2 3.26Å; N351-Y356 WeakPolarHBondContact OD1-CD2 3.16Å; N351-Y356 WeakPolarHBondContact OD1-CE2 3.3Å
352	D	90.1	Very high	95.1	Very high	115 Å²	115	37.9 Å²	37.9	62%	0.615	20%	0.203	S	C	*	.	S	Bend	trans	72.1	-30.1	-177.6	-52.4	-45.5	0	0	0	115.4	W350	W350-D352 VanDerWaalsContact CZ2-O 3.31Å; W350-D352 WeakPolarHBondContact CZ2-O 3.27Å
353	N	91.9	Very high	95.3	Very high	127 Å²	127	39.4 Å²	39.4	68%	0.679	20%	0.196	S	C	*	.	S	Bend	trans	-106.2	-12.5	178.9	-73.9	-12	0	0	0	113.9	F309 N351	F309-N353 WeakPolarHBondContact CZ-O 3.47Å; N351-N353 PolarHBondContact O-N 3.39Å; N351-N353 PolarHBondContact OD1-N 3.37Å
354	G	94.8	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.			trans	166.1	-171	-178.4	0	0	0	0	0	113.2	W350 N351	W350-G354 WeakPolarHBondContact CA-O 3.43Å; N351-G354 PolarHBondContact N-O 2.75Å; N351-G354 PolarHBondContact OD1-N 2.85Å; N351-G354 PolarHBondContact OD1-O 3.41Å
355	F	96.1	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	178.1	-78.7	-83.5	0	0	0	111.1	V277 I279 I296 Q310 W332 F334 K349 W350	V277-F355 HydrophobicContact CG2-CE2 4.18Å; V277-F355 HydrophobicContact CG2-CZ 4.26Å; I279-F355 HydrophobicContact CD1-CE2 3.74Å; I279-F355 HydrophobicContact CD1-CZ 3.57Å; I296-F355 HydrophobicContact CD1-CB 3.73Å; I296-F355 HydrophobicContact CD1-CD2 3.86Å; I296-F355 HydrophobicContact CD1-CG 4.2Å; Q310-F355 PolarHBondContact NE2-O 2.71Å; Q310-F355 PolarHBondContact OE1-O 2.74Å; W332-F355 HydrophobicContact CB-CE1 4.3Å; W332-F355 HydrophobicContact CB-CZ 4.38Å; F334-F355 HydrophobicContact CD1-CB 4.32Å; F334-F355 AromaticContact CD1-CD1 3.49Å; F334-F355 HydrophobicContact CD1-CD1 3.49Å; F334-F355 VanDerWaalsContact CD1-CD1 3.49Å; F334-F355 HydrophobicContact CD1-CD2 4.23Å; F334-F355 AromaticContact CD1-CE1 3.66Å; F334-F355 HydrophobicContact CD1-CE1 3.66Å; F334-F355 HydrophobicContact CD1-CE2 4.37Å; F334-F355 AromaticContact CD1-CG 3.79Å; F334-F355 HydrophobicContact CD1-CG 3.79Å; F334-F355 HydrophobicContact CD1-CZ 4.08Å; F334-F355 HydrophobicContact CE1-CB 3.47Å; F334-F355 VanDerWaalsContact CE1-CB 3.47Å; F334-F355 AromaticContact CE1-CD1 3.54Å; F334-F355 HydrophobicContact CE1-CD1 3.54Å; F334-F355 AromaticContact CE1-CD2 3.88Å; F334-F355 HydrophobicContact CE1-CD2 3.88Å; F334-F355 HydrophobicContact CE1-CE1 4.15Å; F334-F355 HydrophobicContact CE1-CE2 4.43Å; F334-F355 AromaticContact CE1-CG 3.37Å; F334-F355 HydrophobicContact CE1-CG 3.37Å; F334-F355 HydrophobicContact CZ-CB 4.23Å; K349-F355 WeakPolarHBondContact O-CA 3.49Å; W350-F355 HydrophobicContact CB-CD1 4.16Å; W350-F355 HydrophobicContact CB-CE1 3.85Å; W350-F355 HydrophobicContact CB-CZ 4.25Å; W350-F355 HydrophobicContact CD2-CE2 4.5Å; W350-F355 HydrophobicContact CE3-CD1 4.42Å; W350-F355 AromaticContact CE3-CD2 3.53Å; W350-F355 HydrophobicContact CE3-CD2 3.53Å; W350-F355 HydrophobicContact CE3-CE1 4.35Å; W350-F355 AromaticContact CE3-CE2 3.46Å; W350-F355 HydrophobicContact CE3-CE2 3.46Å; W350-F355 VanDerWaalsContact CE3-CE2 3.46Å; W350-F355 HydrophobicContact CE3-CG 4.04Å; W350-F355 AromaticContact CE3-CZ 3.91Å; W350-F355 HydrophobicContact CE3-CZ 3.91Å; W350-F355 AromaticContact CZ3-CD2 3.89Å; W350-F355 HydrophobicContact CZ3-CD2 3.89Å; W350-F355 AromaticContact CZ3-CE2 3.91Å; W350-F355 HydrophobicContact CZ3-CE2 3.91Å
356	Y	95.2	Very high	95.6	Very high	101 Å²	101	55 Å²	55	40%	0.396	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.5	-175.7	-63	-94.9	0	0	0	110.8	Y348 K349 N351 Y358	Y348-Y356 CarbonylContact C-O 3.59Å; Y348-Y356 VanDerWaalsContact CA-O 3.25Å; Y348-Y356 WeakPolarHBondContact CA-O 3.46Å; K349-Y356 PolarHBondContact N-O 3.37Å; K349-Y356 PolarHBondContact O-N 3.36Å; N351-Y356 HydrophobicContact CB-CD2 4.44Å; N351-Y356 WeakPolarHBondContact ND2-CD2 3.49Å; N351-Y356 WeakPolarHBondContact ND2-CE2 3.4Å; N351-Y356 VanDerWaalsContact OD1-CD2 3.26Å; N351-Y356 WeakPolarHBondContact OD1-CD2 3.16Å; N351-Y356 WeakPolarHBondContact OD1-CE2 3.3Å; Y356-Y358 PolarHBondContact O-N 2.78Å
357	S	94.9	Very high	95.6	Very high	26 Å²	26	55 Å²	55	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	126.9	-179	-174.8	0	0	0	0	110.3	E313 K316 T346	E313-S357 WeakPolarHBondContact OE2-CB 3.44Å; K316-S357 PolarHBondContact NZ-OG 2.77Å; T346-S357 VanDerWaalsContact CG2-OG 3.24Å; T346-S357 WeakPolarHBondContact CG2-OG 3.36Å
358	Y	95.9	Very high	95.7	Very high	63 Å²	63	55.9 Å²	55.9	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-44	-173.1	-171.2	-103.7	0	0	0	112.3	F333 L347 K349 Y356 W395 Q400 K401	F333-Y358 HydrophobicContact CE1-CD1 4.08Å; F333-Y358 HydrophobicContact CE1-CE1 4.2Å; F333-Y358 HydrophobicContact CE1-CG 4.39Å; L347-Y358 HydrophobicContact CD2-CD1 3.96Å; L347-Y358 WeakPolarHBondContact O-CB 3.4Å; L347-Y358 PolarHBondContact O-N 3.42Å; K349-Y358 HydrophobicContact CB-CD2 3.8Å; K349-Y358 HydrophobicContact CB-CG 3.9Å; K349-Y358 HydrophobicContact CD-CD2 3.9Å; K349-Y358 HydrophobicContact CD-CE2 3.8Å; K349-Y358 HydrophobicContact CG-CD2 4.43Å; Y356-Y358 PolarHBondContact O-N 2.78Å; Y358-W395 AromaticContact CE1-CH2 3.85Å; Y358-W395 HydrophobicContact CE1-CH2 3.85Å; Y358-W395 HydrophobicContact CE1-CZ3 4.21Å; Y358-Q400 WeakPolarHBondContact CE1-O 3.45Å; Y358-Q400 VanDerWaalsContact CZ-O 3.28Å; Y358-Q400 VanDerWaalsContact OH-CB 3.28Å; Y358-Q400 WeakPolarHBondContact OH-CB 3.21Å; Y358-Q400 PolarHBondContact OH-O 2.92Å; Y358-K401 HydrophobicContact CE1-CG 4.43Å
359	Q	96.6	Very high	95.7	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	134.7	180	-180	173.4	3.2	0	0	110.7	L347 L361 F402	L347-Q359 HydrophobicContact CB-CB 4.24Å; L347-Q359 WeakPolarHBondContact CB-O 3.31Å; L347-Q359 HydrophobicContact CD2-CB 4.38Å; L347-Q359 PolarHBondContact N-O 2.68Å; L347-Q359 PolarHBondContact O-N 3.24Å; Q359-L361 HydrophobicContact CG-CD2 3.83Å; Q359-L361 HydrophobicContact CG-CG 4.42Å; Q359-F402 PolarHBondContact NE2-O 3.06Å
360	S	96.2	Very high	95.8	Very high	35 Å²	35	54.2 Å²	54.2	25%	0.245	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.7	166.4	-63	0	0	0	0	109.9
361	L	96.7	Very high	95.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.7	-174.3	-58.5	174.1	0	0	0	109.6	S345 Q359 E363 L381 L383 Y393 F402	S345-L361 PolarHBondContact O-N 2.91Å; Q359-L361 HydrophobicContact CG-CD2 3.83Å; Q359-L361 HydrophobicContact CG-CG 4.42Å; L361-E363 PolarHBondContact O-N 3.11Å; L361-L381 HydrophobicContact CD1-CD2 3.53Å; L361-L383 HydrophobicContact CB-CD1 4.04Å; L361-L383 HydrophobicContact CD1-CD1 4.42Å; L361-Y393 HydrophobicContact CD2-CD1 4.14Å; L361-Y393 HydrophobicContact CD2-CE1 3.94Å; L361-F402 HydrophobicContact CD2-CB 4.24Å
362	H	95.7	Very high	96.1	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.106	24%	0.236	C	C	.	.	S	Bend	trans	50.3	56	166.6	-144.8	-159.9	0	0	0	115.5	W364 F365 D367 L383 S385 Y393	H362-W364 PolarHBondContact O-N 3.17Å; H362-F365 HydrophobicContact CB-CB 4.41Å; H362-F365 HydrophobicContact CB-CD2 4.39Å; H362-F365 AromaticContact CD2-CD2 3.12Å; H362-F365 WeakPolarHBondContact CD2-CD2 3.27Å; H362-F365 AromaticContact CD2-CE2 3.5Å; H362-F365 VanDerWaalsContact CD2-CE2 3.5Å; H362-F365 WeakPolarHBondContact CD2-CE2 3.44Å; H362-F365 AromaticContact CD2-CG 3.48Å; H362-F365 VanDerWaalsContact CD2-CG 3.48Å; H362-F365 WeakPolarHBondContact CD2-CG 3.5Å; H362-F365 AromaticContact CE1-CD1 3.57Å; H362-F365 AromaticContact CE1-CD2 3.9Å; H362-F365 AromaticContact CE1-CG 3.4Å; H362-F365 VanDerWaalsContact CE1-CG 3.4Å; H362-F365 WeakPolarHBondContact CE1-CG 3.01Å; H362-F365 AromaticContact CG-CD2 3.59Å; H362-F365 AromaticContact CG-CG 3.69Å; H362-F365 WeakPolarHBondContact ND1-CB 3.29Å; H362-F365 AromaticContact ND1-CG 3.64Å; H362-F365 AromaticContact NE2-CD1 3.47Å; H362-F365 WeakPolarHBondContact NE2-CD1 3.42Å; H362-F365 AromaticContact NE2-CD2 3.37Å; H362-F365 WeakPolarHBondContact NE2-CD2 3.25Å; H362-F365 AromaticContact NE2-CE1 3.68Å; H362-F365 AromaticContact NE2-CE2 3.6Å; H362-F365 AromaticContact NE2-CG 3.31Å; H362-F365 VanDerWaalsContact NE2-CG 3.31Å; H362-F365 WeakPolarHBondContact NE2-CG 3.29Å; H362-F365 AromaticContact NE2-CZ 3.74Å; H362-F365 WeakPolarHBondContact O-CB 3.26Å; H362-F365 PolarHBondContact O-N 3.17Å; H362-D367 WeakPolarHBondContact CB-OD2 3.4Å; H362-D367 IonicContact CE1-OD1 3.03Å; H362-D367 IonicContact CG-OD1 3.24Å; H362-D367 IonicContact CG-OD2 2.61Å; H362-D367 IonicContact ND1-OD1 3.35Å; H362-D367 PolarHBondContact ND1-OD1 2.95Å; H362-D367 IonicContact ND1-OD2 3.36Å; H362-L383 HydrophobicContact CB-CD1 3.84Å; H362-S385 PolarHBondContact CE1-OG 2.82Å; H362-S385 PolarHBondContact ND1-OG 3.49Å; H362-Y393 PolarHBondContact N-OH 2.86Å
363	E	94.7	Very high	96.4	Very high	116 Å²	116	45.9 Å²	45.9	54%	0.542	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	135.6	-178.5	-55.5	-174.4	173.8	0	0	112.9	L344 L361 F365	L344-E363 HydrophobicContact CD2-CB 3.96Å; L344-E363 HydrophobicContact CD2-CG 3.83Å; L361-E363 PolarHBondContact O-N 3.11Å; E363-F365 VanDerWaalsContact C-N 3.26Å; E363-F365 WeakPolarHBondContact O-CD2 3.28Å; E363-F365 WeakPolarHBondContact O-CE2 3.15Å; E363-F365 PolarHBondContact O-N 3.19Å
364	W	94.8	Very high	96.5	Very high	179 Å²	179	43.6 Å²	43.6	68%	0.678	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	9.2	179	-47.9	100.1	0	0	0	116.3	K341 H362	K341-W364 VanDerWaalsContact O-CE3 3.28Å; H362-W364 PolarHBondContact O-N 3.17Å
365	F	96.5	Very high	96.4	Very high	73 Å²	73	43.8 Å²	43.8	32%	0.32	20%	0.196	S	C	.	.			trans	-94.1	168.5	173.4	-68.9	-90.8	0	0	0	111.8	H362 E363 Q388	H362-F365 HydrophobicContact CB-CB 4.41Å; H362-F365 HydrophobicContact CB-CD2 4.39Å; H362-F365 AromaticContact CD2-CD2 3.12Å; H362-F365 WeakPolarHBondContact CD2-CD2 3.27Å; H362-F365 AromaticContact CD2-CE2 3.5Å; H362-F365 VanDerWaalsContact CD2-CE2 3.5Å; H362-F365 WeakPolarHBondContact CD2-CE2 3.44Å; H362-F365 AromaticContact CD2-CG 3.48Å; H362-F365 VanDerWaalsContact CD2-CG 3.48Å; H362-F365 WeakPolarHBondContact CD2-CG 3.5Å; H362-F365 AromaticContact CE1-CD1 3.57Å; H362-F365 AromaticContact CE1-CD2 3.9Å; H362-F365 AromaticContact CE1-CG 3.4Å; H362-F365 VanDerWaalsContact CE1-CG 3.4Å; H362-F365 WeakPolarHBondContact CE1-CG 3.01Å; H362-F365 AromaticContact CG-CD2 3.59Å; H362-F365 AromaticContact CG-CG 3.69Å; H362-F365 WeakPolarHBondContact ND1-CB 3.29Å; H362-F365 AromaticContact ND1-CG 3.64Å; H362-F365 AromaticContact NE2-CD1 3.47Å; H362-F365 WeakPolarHBondContact NE2-CD1 3.42Å; H362-F365 AromaticContact NE2-CD2 3.37Å; H362-F365 WeakPolarHBondContact NE2-CD2 3.25Å; H362-F365 AromaticContact NE2-CE1 3.68Å; H362-F365 AromaticContact NE2-CE2 3.6Å; H362-F365 AromaticContact NE2-CG 3.31Å; H362-F365 VanDerWaalsContact NE2-CG 3.31Å; H362-F365 WeakPolarHBondContact NE2-CG 3.29Å; H362-F365 AromaticContact NE2-CZ 3.74Å; H362-F365 WeakPolarHBondContact O-CB 3.26Å; H362-F365 PolarHBondContact O-N 3.17Å; E363-F365 VanDerWaalsContact C-N 3.26Å; E363-F365 WeakPolarHBondContact O-CD2 3.28Å; E363-F365 WeakPolarHBondContact O-CE2 3.15Å; E363-F365 PolarHBondContact O-N 3.19Å; F365-Q388 HydrophobicContact CD1-CG 3.95Å; F365-Q388 HydrophobicContact CE1-CG 4.02Å
366	R	97.5	Very high	96	Very high	121 Å²	121	49.4 Å²	49.4	46%	0.457	23%	0.226	S	C	.	.			trans	-116.7	81	177.1	-66.3	-167.6	177.2	104.9	-5.7	107.6	S339 K341 S385 R386	S339-R366 VanDerWaalsContact O-CB 3.3Å; S339-R366 WeakPolarHBondContact O-CB 3.3Å; S339-R366 WeakPolarHBondContact O-CD 3.46Å; S339-R366 WeakPolarHBondContact O-CG 3.37Å; K341-R366 HydrophobicContact CG-CG 3.97Å; R366-S385 VanDerWaalsContact O-CA 3.23Å; R366-S385 WeakPolarHBondContact O-CA 3.48Å; R366-S385 WeakPolarHBondContact O-CB 3.33Å; R366-R386 HydrophobicContact CB-CB 4.3Å; R366-R386 PolarHBondContact O-N 3Å
367	D	98.3	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132	-176.4	-62	-32.8	0	0	0	109.7	A337 D338 S339 S345 H362 A384 S385	A337-D367 HydrophobicContact CB-CB 4.12Å; D338-D367 CarbonylContact C-O 3.53Å; D338-D367 VanDerWaalsContact C-O 3.26Å; D338-D367 PolarHBondContact O-N 3.36Å; S339-D367 VanDerWaalsContact CA-O 3.23Å; S339-D367 WeakPolarHBondContact CA-O 3.4Å; S339-D367 PolarHBondContact N-O 3.37Å; S345-D367 VanDerWaalsContact CB-OD2 3.28Å; S345-D367 WeakPolarHBondContact CB-OD2 3.26Å; S345-D367 VanDerWaalsContact OG-CB 3.31Å; S345-D367 WeakPolarHBondContact OG-CB 3.25Å; S345-D367 PolarHBondContact OG-OD2 2.97Å; H362-D367 WeakPolarHBondContact CB-OD2 3.4Å; H362-D367 IonicContact CE1-OD1 3.03Å; H362-D367 IonicContact CG-OD1 3.24Å; H362-D367 IonicContact CG-OD2 2.61Å; H362-D367 IonicContact ND1-OD1 3.35Å; H362-D367 PolarHBondContact ND1-OD1 2.95Å; H362-D367 IonicContact ND1-OD2 3.36Å; D367-A384 CarbonylContact C-O 3.59Å; D367-A384 VanDerWaalsContact CA-O 3.3Å; D367-A384 WeakPolarHBondContact CA-O 3.48Å; D367-S385 WeakPolarHBondContact OD1-CB 3.39Å; D367-S385 PolarHBondContact OD1-OG 3.46Å
368	T	97.9	Very high	95.7	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-27.9	-176.8	53.4	0	0	0	0	111.9	N321 A384 V415	N321-T368 PolarHBondContact ND2-O 3.02Å; T368-A384 PolarHBondContact N-O 3.04Å; T368-A384 PolarHBondContact OG1-O 3.06Å; T368-V415 WeakPolarHBondContact CB-O 3.48Å; T368-V415 PolarHBondContact OG1-O 3.28Å
369	D	98.6	Very high	95.8	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.2	-176.5	176.6	79.7	0	0	0	109.7	A384 V415 A416 V417 K418	D369-A384 HydrophobicContact CB-CB 4.33Å; D369-A384 PolarHBondContact O-N 3.22Å; D369-V415 WeakPolarHBondContact CB-O 3.19Å; D369-A416 HydrophobicContact CB-CB 4.04Å; D369-V417 PolarHBondContact OD2-N 3.3Å; D369-V417 VanDerWaalsContact OD2-O 3.05Å; D369-K418 IonicContact OD1-NZ 2.85Å; D369-K418 PolarHBondContact OD1-NZ 3.24Å; D369-K418 IonicContact OD2-NZ 3.81Å
370	A	98.4	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129	174.9	0	0	0	0	0	109.8	D322 E324 V335 A337 L381 I382 L383	D322-A370 PolarHBondContact OD2-N 3.14Å; E324-A370 HydrophobicContact CB-CB 4.45Å; E324-A370 WeakPolarHBondContact CB-O 3.42Å; V335-A370 HydrophobicContact CG1-CB 3.58Å; A337-A370 HydrophobicContact CB-CB 4.27Å; A370-L381 HydrophobicContact CB-CD1 4.45Å; A370-I382 WeakPolarHBondContact CA-O 3.36Å; A370-L383 HydrophobicContact CB-CD2 3.56Å
371	E	98.5	Very high	95.9	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.9	-177	-177	67.1	-179.1	0	0	110.6	I382 V417 K418 H419	E371-I382 HydrophobicContact CB-CB 4.39Å; E371-I382 PolarHBondContact N-O 3.15Å; E371-I382 PolarHBondContact O-N 2.85Å; E371-V417 HydrophobicContact CB-CB 4.32Å; E371-V417 HydrophobicContact CB-CG1 4.43Å; E371-V417 WeakPolarHBondContact CB-O 3.13Å; E371-V417 HydrophobicContact CG-CG1 4.42Å; E371-V417 WeakPolarHBondContact CG-O 3.06Å; E371-K418 WeakPolarHBondContact OE2-CD 3.21Å; E371-K418 IonicContact OE2-NZ 2.69Å; E371-K418 PolarHBondContact OE2-NZ 3.43Å; E371-H419 IonicContact OE1-CE1 2.65Å; E371-H419 IonicContact OE1-CG 2.84Å; E371-H419 PolarHBondContact OE1-N 3.4Å; E371-H419 IonicContact OE1-ND1 3.93Å; E371-H419 PolarHBondContact OE1-ND1 3.35Å
372	F	98.4	Very high	96	Very high	24 Å²	24	46 Å²	46	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.9	174.2	177.7	-95.7	0	0	0	110.9	E324 F326 I328 A379 H380 L381 F402 H419	E324-F372 HydrophobicContact CG-CB 4.26Å; F326-F372 HydrophobicContact CB-CB 4Å; F326-F372 HydrophobicContact CB-CD1 3.45Å; F326-F372 VanDerWaalsContact CB-CD1 3.45Å; F326-F372 HydrophobicContact CB-CD2 4.04Å; F326-F372 HydrophobicContact CB-CE1 3.86Å; F326-F372 HydrophobicContact CB-CE2 4.38Å; F326-F372 HydrophobicContact CB-CG 3.55Å; F326-F372 HydrophobicContact CB-CZ 4.31Å; F326-F372 HydrophobicContact CD1-CB 3.51Å; F326-F372 HydrophobicContact CD1-CD1 4.48Å; F326-F372 AromaticContact CD1-CD2 3.85Å; F326-F372 HydrophobicContact CD1-CD2 3.85Å; F326-F372 AromaticContact CD1-CG 3.7Å; F326-F372 HydrophobicContact CD1-CG 3.7Å; F326-F372 HydrophobicContact CD2-CD1 4.29Å; F326-F372 AromaticContact CD2-CD2 3.34Å; F326-F372 HydrophobicContact CD2-CD2 3.34Å; F326-F372 HydrophobicContact CD2-CE1 4.36Å; F326-F372 AromaticContact CD2-CE2 3.42Å; F326-F372 HydrophobicContact CD2-CE2 3.42Å; F326-F372 VanDerWaalsContact CD2-CE2 3.42Å; F326-F372 AromaticContact CD2-CG 3.79Å; F326-F372 HydrophobicContact CD2-CG 3.79Å; F326-F372 AromaticContact CD2-CZ 3.95Å; F326-F372 HydrophobicContact CD2-CZ 3.95Å; F326-F372 HydrophobicContact CE1-CB 4.05Å; F326-F372 HydrophobicContact CE1-CD2 4.08Å; F326-F372 HydrophobicContact CE1-CG 4.3Å; F326-F372 AromaticContact CE2-CD2 3.6Å; F326-F372 HydrophobicContact CE2-CD2 3.6Å; F326-F372 AromaticContact CE2-CE2 3.76Å; F326-F372 HydrophobicContact CE2-CE2 3.76Å; F326-F372 HydrophobicContact CE2-CG 4.38Å; F326-F372 HydrophobicContact CG-CB 3.77Å; F326-F372 AromaticContact CG-CD1 3.86Å; F326-F372 HydrophobicContact CG-CD1 3.86Å; F326-F372 AromaticContact CG-CD2 3.47Å; F326-F372 HydrophobicContact CG-CD2 3.47Å; F326-F372 VanDerWaalsContact CG-CD2 3.47Å; F326-F372 HydrophobicContact CG-CE1 4.31Å; F326-F372 AromaticContact CG-CE2 3.95Å; F326-F372 HydrophobicContact CG-CE2 3.95Å; F326-F372 AromaticContact CG-CG 3.4Å; F326-F372 HydrophobicContact CG-CG 3.4Å; F326-F372 HydrophobicContact CG-CZ 4.35Å; F326-F372 AromaticContact CZ-CD2 3.95Å; F326-F372 HydrophobicContact CZ-CD2 3.95Å; I328-F372 HydrophobicContact CD1-CE2 4.29Å; I328-F372 HydrophobicContact CG1-CE2 4.09Å; I328-F372 HydrophobicContact CG1-CZ 4.22Å; F372-A379 HydrophobicContact CE2-CB 3.76Å; F372-A379 HydrophobicContact CZ-CB 3.88Å; F372-H380 VanDerWaalsContact CD2-O 3.27Å; F372-H380 WeakPolarHBondContact CD2-O 3.09Å; F372-L381 HydrophobicContact CB-CD1 4.25Å; F372-F402 HydrophobicContact CD2-CZ 4.44Å; F372-F402 HydrophobicContact CE2-CZ 4.34Å; F372-H419 PolarHBondContact O-CE1 3.17Å; F372-H419 PolarHBondContact O-ND1 3.22Å
373	L	97.1	Very high	96.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.9	176.4	74.4	171.5	0	0	0	112.6	L375 H380 I382 H419 L426 L428 F447	L373-L375 HydrophobicContact CD1-CD1 3.89Å; L373-L375 HydrophobicContact CD1-CD2 4.38Å; L373-L375 HydrophobicContact CD1-CG 3.88Å; L373-L375 HydrophobicContact CD2-CD1 4.36Å; L373-L375 HydrophobicContact CG-CD1 4.05Å; L373-L375 HydrophobicContact CG-CG 4.07Å; L373-H380 HydrophobicContact CD2-CB 3.84Å; L373-H380 HydrophobicContact CG-CB 4.42Å; L373-H380 PolarHBondContact N-O 3.39Å; L373-H380 PolarHBondContact O-N 3.22Å; L373-I382 HydrophobicContact CD1-CD1 4.02Å; L373-I382 HydrophobicContact CD2-CD1 3.62Å; L373-I382 HydrophobicContact CD2-CG1 3.75Å; L373-H419 HydrophobicContact CB-CB 4.21Å; L373-H419 HydrophobicContact CD1-CB 4.16Å; L373-L426 HydrophobicContact CD1-CD2 4.28Å; L373-L428 HydrophobicContact CD1-CD2 4Å; L373-F447 HydrophobicContact CD1-CZ 4.47Å
374	N	94.8	Very high	96.3	Very high	79 Å²	79	39.4 Å²	39.4	42%	0.422	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.3	170.1	-74.1	-49	0	0	0	110.4	K378 A379 R421	N374-K378 WeakPolarHBondContact CA-O 3.26Å; N374-A379 WeakPolarHBondContact OD1-CA 3.33Å; N374-R421 PolarHBondContact O-NH2 3.3Å
375	L	92.3	Very high	96.4	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.6	175.1	-77.3	158.2	0	0	0	108.9	L373 G377 K378 H380 I392 L426 W442 F447	L373-L375 HydrophobicContact CD1-CD1 3.89Å; L373-L375 HydrophobicContact CD1-CD2 4.38Å; L373-L375 HydrophobicContact CD1-CG 3.88Å; L373-L375 HydrophobicContact CD2-CD1 4.36Å; L373-L375 HydrophobicContact CG-CD1 4.05Å; L373-L375 HydrophobicContact CG-CG 4.07Å; L375-G377 PolarHBondContact O-N 2.76Å; L375-G377 VanDerWaalsContact O-N 3.14Å; L375-K378 PolarHBondContact N-O 3.23Å; L375-K378 PolarHBondContact O-N 2.73Å; L375-H380 HydrophobicContact CD1-CB 4.03Å; L375-I392 HydrophobicContact CD1-CD1 3.52Å; L375-L426 HydrophobicContact CD2-CD2 3.18Å; L375-L426 HydrophobicContact CG-CD2 3.95Å; L375-W442 HydrophobicContact CD2-CD2 3.63Å; L375-W442 HydrophobicContact CD2-CE3 3.99Å; L375-W442 HydrophobicContact CD2-CG 3.91Å; L375-W442 HydrophobicContact CD2-CZ2 4.25Å; L375-W442 HydrophobicContact CD2-CZ3 4.44Å; L375-F447 HydrophobicContact CD1-CE2 4.48Å; L375-F447 HydrophobicContact CD1-CZ 4.42Å; L375-F447 HydrophobicContact CD2-CE2 4.5Å; L375-F447 HydrophobicContact CD2-CZ 3.89Å
376	D	88.1	Confident	96.4	Very high	119 Å²	119	32.9 Å²	32.9	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	42.8	177.9	-54.8	-28.8	0	0	0	113.7	K378 W442	D376-K378 VanDerWaalsContact C-N 3.29Å; D376-K378 PolarHBondContact O-N 3.21Å; D376-W442 PolarHBondContact OD1-NE1 3.14Å; D376-W442 PolarHBondContact OD2-NE1 2.98Å
377	G	89	Confident	96.2	Very high	64 Å²	64	30.8 Å²	30.8	66%	0.66	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	10.2	179.2	0	0	0	0	0	115.2	L375	L375-G377 PolarHBondContact O-N 2.76Å; L375-G377 VanDerWaalsContact O-N 3.14Å
378	K	93.9	Very high	96	Very high	105 Å²	105	34.9 Å²	34.9	46%	0.457	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.9	175.7	-62.5	177.3	-175.4	171.2	0	110.9	N374 L375 D376 H380 Q394	N374-K378 WeakPolarHBondContact CA-O 3.26Å; L375-K378 PolarHBondContact N-O 3.23Å; L375-K378 PolarHBondContact O-N 2.73Å; D376-K378 VanDerWaalsContact C-N 3.29Å; D376-K378 PolarHBondContact O-N 3.21Å; K378-H380 PolarHBondContact O-ND1 3.44Å; K378-Q394 HydrophobicContact CD-CG 4.35Å; K378-Q394 VanDerWaalsContact CD-OE1 3.31Å
379	A	97.3	Very high	96	Very high	10 Å²	10	35.5 Å²	35.5	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.8	173.3	0	0	0	0	0	110.7	I328 F372 N374 W395	I328-A379 HydrophobicContact CD1-CB 3.99Å; I328-A379 HydrophobicContact CG1-CB 4.1Å; I328-A379 HydrophobicContact CG2-CB 4.37Å; F372-A379 HydrophobicContact CE2-CB 3.76Å; F372-A379 HydrophobicContact CZ-CB 3.88Å; N374-A379 WeakPolarHBondContact OD1-CA 3.33Å; A379-W395 HydrophobicContact CB-CB 3.78Å; A379-W395 HydrophobicContact CB-CG 4.39Å; A379-W395 WeakPolarHBondContact O-CB 3.48Å; A379-W395 PolarHBondContact O-N 3.4Å
380	H	97.8	Very high	95.9	Very high	7 Å²	7	35 Å²	35	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.5	175.9	-67.1	75	0	0	0	110.3	F372 L373 L375 K378 I392 Y393 Q394 Q405	F372-H380 VanDerWaalsContact CD2-O 3.27Å; F372-H380 WeakPolarHBondContact CD2-O 3.09Å; L373-H380 HydrophobicContact CD2-CB 3.84Å; L373-H380 HydrophobicContact CG-CB 4.42Å; L373-H380 PolarHBondContact N-O 3.39Å; L373-H380 PolarHBondContact O-N 3.22Å; L375-H380 HydrophobicContact CD1-CB 4.03Å; K378-H380 PolarHBondContact O-ND1 3.44Å; H380-I392 HydrophobicContact CB-CD1 4.37Å; H380-I392 HydrophobicContact CB-CG1 4.38Å; H380-Y393 CarbonylContact C-O 3.59Å; H380-Y393 WeakPolarHBondContact CA-O 3.02Å; H380-Y393 VanDerWaalsContact CB-O 3.31Å; H380-Y393 WeakPolarHBondContact CB-O 3.45Å; H380-Y393 PolarHBondContact CD2-O 2.94Å; H380-Q394 WeakPolarHBondContact NE2-CG 3.46Å; H380-Q405 PolarHBondContact CD2-OE1 3.09Å; H380-Q405 PolarHBondContact NE2-OE1 2.97Å; H380-Q405 VanDerWaalsContact NE2-OE1 3.1Å
381	L	98.5	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.2	174.5	-175.4	69.9	0	0	0	108.4	F326 V335 L361 A370 F372 L383 Y393 F402	F326-L381 HydrophobicContact CE1-CD1 4.2Å; V335-L381 HydrophobicContact CG1-CD1 4.18Å; V335-L381 HydrophobicContact CG2-CD2 4.39Å; L361-L381 HydrophobicContact CD1-CD2 3.53Å; A370-L381 HydrophobicContact CB-CD1 4.45Å; F372-L381 HydrophobicContact CB-CD1 4.25Å; L381-L383 HydrophobicContact CD2-CD2 4.36Å; L381-L383 HydrophobicContact CG-CD2 4.42Å; L381-Y393 PolarHBondContact N-O 2.86Å; L381-Y393 PolarHBondContact O-N 3.12Å; L381-F402 HydrophobicContact CB-CD1 4.02Å; L381-F402 HydrophobicContact CB-CE1 3.73Å; L381-F402 HydrophobicContact CB-CZ 4.01Å
382	I	98.4	Very high	95.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.2	174.8	-62.1	168.1	0	0	0	108	A370 E371 L373 P390 V391 I392 I408 V417 L428	A370-I382 WeakPolarHBondContact CA-O 3.36Å; E371-I382 HydrophobicContact CB-CB 4.39Å; E371-I382 PolarHBondContact N-O 3.15Å; E371-I382 PolarHBondContact O-N 2.85Å; L373-I382 HydrophobicContact CD1-CD1 4.02Å; L373-I382 HydrophobicContact CD2-CD1 3.62Å; L373-I382 HydrophobicContact CD2-CG1 3.75Å; I382-P390 HydrophobicContact CG2-CB 3.99Å; I382-V391 CarbonylContact C-O 3.53Å; I382-V391 VanDerWaalsContact CA-O 3.25Å; I382-V391 WeakPolarHBondContact CA-O 3.39Å; I382-I392 HydrophobicContact CG1-CB 4.39Å; I382-I392 HydrophobicContact CG1-CD1 4.41Å; I382-I392 HydrophobicContact CG1-CG1 4.28Å; I382-I408 HydrophobicContact CD1-CD1 3.99Å; I382-I408 HydrophobicContact CG1-CD1 4.47Å; I382-I408 HydrophobicContact CG2-CD1 4.38Å; I382-V417 HydrophobicContact CD1-CG1 4.36Å; I382-V417 HydrophobicContact CG2-CB 4.38Å; I382-V417 HydrophobicContact CG2-CG1 4.3Å; I382-V417 HydrophobicContact CG2-CG2 4.19Å; I382-L428 HydrophobicContact CD1-CD1 3.88Å; I382-L428 HydrophobicContact CD1-CD2 4.15Å
383	L	98.5	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	170.2	-60	179.1	0	0	0	109.4	L361 H362 A370 L381 P390 V391 Y393	L361-L383 HydrophobicContact CB-CD1 4.04Å; L361-L383 HydrophobicContact CD1-CD1 4.42Å; H362-L383 HydrophobicContact CB-CD1 3.84Å; A370-L383 HydrophobicContact CB-CD2 3.56Å; L381-L383 HydrophobicContact CD2-CD2 4.36Å; L381-L383 HydrophobicContact CG-CD2 4.42Å; L383-P390 WeakPolarHBondContact O-CA 3.45Å; L383-V391 HydrophobicContact CB-CG2 3.83Å; L383-V391 PolarHBondContact N-O 2.92Å; L383-V391 PolarHBondContact O-N 3.19Å; L383-Y393 HydrophobicContact CD1-CE2 3.81Å; L383-Y393 HydrophobicContact CG-CE2 4.23Å
384	A	98.2	Very high	95.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	168.2	0	0	0	0	0	109.4	D367 T368 D369 V414 V417	D367-A384 CarbonylContact C-O 3.59Å; D367-A384 VanDerWaalsContact CA-O 3.3Å; D367-A384 WeakPolarHBondContact CA-O 3.48Å; T368-A384 PolarHBondContact N-O 3.04Å; T368-A384 PolarHBondContact OG1-O 3.06Å; D369-A384 HydrophobicContact CB-CB 4.33Å; D369-A384 PolarHBondContact O-N 3.22Å; A384-V414 HydrophobicContact CB-CB 4.45Å; A384-V414 HydrophobicContact CB-CG1 4.13Å; A384-V417 HydrophobicContact CB-CG2 4.25Å
385	S	97.3	Very high	96	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.6	-177.5	-32.7	0	0	0	0	111.6	H362 R366 D367 S387 Q388	H362-S385 PolarHBondContact CE1-OG 2.82Å; H362-S385 PolarHBondContact ND1-OG 3.49Å; R366-S385 VanDerWaalsContact O-CA 3.23Å; R366-S385 WeakPolarHBondContact O-CA 3.48Å; R366-S385 WeakPolarHBondContact O-CB 3.33Å; D367-S385 WeakPolarHBondContact OD1-CB 3.39Å; D367-S385 PolarHBondContact OD1-OG 3.46Å; S385-S387 PolarHBondContact O-N 3.3Å; S385-Q388 PolarHBondContact O-N 3.34Å
386	R	94.8	Very high	96.2	Very high	113 Å²	113	36.6 Å²	36.6	43%	0.426	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	130.8	-176	-164.1	69.9	178	144.4	5.9	112.1	R366 Q388 D413	R366-R386 HydrophobicContact CB-CB 4.3Å; R366-R386 PolarHBondContact O-N 3Å; R386-Q388 PolarHBondContact O-N 3.36Å; R386-D413 WeakPolarHBondContact CD-OD1 3.47Å; R386-D413 IonicContact CZ-OD1 2.86Å; R386-D413 IonicContact CZ-OD2 3.59Å; R386-D413 VanDerWaalsContact CZ-OD2 3.27Å; R386-D413 IonicContact NE-OD1 3.02Å; R386-D413 IonicContact NH1-OD1 2.86Å; R386-D413 PolarHBondContact NH1-OD1 3.39Å; R386-D413 IonicContact NH1-OD2 3.65Å; R386-D413 PolarHBondContact NH1-OD2 2.69Å; R386-D413 IonicContact NH2-OD2 3.09Å; R386-D413 PolarHBondContact NH2-OD2 2.83Å
387	S	93.8	Very high	96.4	Very high	78 Å²	78	40.8 Å²	40.8	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	27.4	-179.9	-48	0	0	0	0	114.4	S385 D413	S385-S387 PolarHBondContact O-N 3.3Å; S387-D413 PolarHBondContact N-OD1 3.42Å
388	Q	95.6	Very high	96.6	Very high	87 Å²	87	42.6 Å²	42.6	41%	0.407	21%	0.209	S	C	.	.	S	Bend	trans	-128.9	169.4	174.9	-61.5	-63.5	-63.4	0	0	110	F365 S385 R386 D413	F365-Q388 HydrophobicContact CD1-CG 3.95Å; F365-Q388 HydrophobicContact CE1-CG 4.02Å; S385-Q388 PolarHBondContact O-N 3.34Å; R386-Q388 PolarHBondContact O-N 3.36Å; Q388-D413 PolarHBondContact O-N 3Å
389	V	96.3	Very high	96.5	Very high	30 Å²	30	42.3 Å²	42.3	18%	0.182	21%	0.212	C	C	.	.			trans	-82.6	149.7	165.9	-68.4	0	0	0	0	109.9	D407 E412	V389-D407 HydrophobicContact CG2-CB 3.76Å; V389-E412 HydrophobicContact CG1-CG 3.92Å
390	P	97.6	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.			trans	-59.5	139.6	173.1	-22.8	32.5	0	0	0	111.7	I382 L383 D407 I408 M411 V414 V417 M430	I382-P390 HydrophobicContact CG2-CB 3.99Å; L383-P390 WeakPolarHBondContact O-CA 3.45Å; P390-D407 CarbonylContact O-C 3.49Å; P390-D407 WeakPolarHBondContact O-CA 3.48Å; P390-I408 HydrophobicContact CB-CB 4.45Å; P390-I408 HydrophobicContact CB-CD1 4.39Å; P390-I408 PolarHBondContact O-N 2.97Å; P390-M411 VanDerWaalsContact CD-O 3.3Å; P390-M411 WeakPolarHBondContact CD-O 3.23Å; P390-V414 HydrophobicContact CG-CB 3.85Å; P390-V414 HydrophobicContact CG-CG1 4.17Å; P390-V414 HydrophobicContact CG-CG2 3.69Å; P390-V417 HydrophobicContact CB-CG2 4.49Å; P390-V417 HydrophobicContact CG-CG2 4.35Å; P390-M430 HydrophobicContact CG-CE 4.42Å
391	V	97.4	Very high	96.4	Very high	17 Å²	17	51.2 Å²	51.2	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	145.4	176.4	-66.5	0	0	0	0	110.6	I382 L383 Y393 L404	I382-V391 CarbonylContact C-O 3.53Å; I382-V391 VanDerWaalsContact CA-O 3.25Å; I382-V391 WeakPolarHBondContact CA-O 3.39Å; L383-V391 HydrophobicContact CB-CG2 3.83Å; L383-V391 PolarHBondContact N-O 2.92Å; L383-V391 PolarHBondContact O-N 3.19Å; V391-Y393 HydrophobicContact CB-CE2 4.45Å; V391-Y393 HydrophobicContact CG2-CD2 4.43Å; V391-Y393 HydrophobicContact CG2-CE2 3.7Å; V391-L404 HydrophobicContact CB-CD1 4.02Å; V391-L404 HydrophobicContact CG1-CD1 4.48Å
392	I	97.1	Very high	96.3	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.7	179	-177	162.8	0	0	0	110.8	L375 H380 I382 Q405 G406	L375-I392 HydrophobicContact CD1-CD1 3.52Å; H380-I392 HydrophobicContact CB-CD1 4.37Å; H380-I392 HydrophobicContact CB-CG1 4.38Å; I382-I392 HydrophobicContact CG1-CB 4.39Å; I382-I392 HydrophobicContact CG1-CD1 4.41Å; I382-I392 HydrophobicContact CG1-CG1 4.28Å; I392-Q405 HydrophobicContact CG2-CB 4.3Å; I392-Q405 WeakPolarHBondContact O-CB 3.46Å; I392-Q405 PolarHBondContact O-N 3.13Å; I392-G406 WeakPolarHBondContact CG2-O 3.18Å; I392-G406 PolarHBondContact N-O 3.02Å; I392-G406 PolarHBondContact O-N 2.79Å
393	Y	98.2	Very high	96.3	Very high	16 Å²	16	55.1 Å²	55.1	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.9	172.6	-66.5	-100.7	0	0	0	110	L361 H362 H380 L381 L383 V391 F402 I403 L404	L361-Y393 HydrophobicContact CD2-CD1 4.14Å; L361-Y393 HydrophobicContact CD2-CE1 3.94Å; H362-Y393 PolarHBondContact N-OH 2.86Å; H380-Y393 CarbonylContact C-O 3.59Å; H380-Y393 WeakPolarHBondContact CA-O 3.02Å; H380-Y393 VanDerWaalsContact CB-O 3.31Å; H380-Y393 WeakPolarHBondContact CB-O 3.45Å; H380-Y393 PolarHBondContact CD2-O 2.94Å; L381-Y393 PolarHBondContact N-O 2.86Å; L381-Y393 PolarHBondContact O-N 3.12Å; L383-Y393 HydrophobicContact CD1-CE2 3.81Å; L383-Y393 HydrophobicContact CG-CE2 4.23Å; V391-Y393 HydrophobicContact CB-CE2 4.45Å; V391-Y393 HydrophobicContact CG2-CD2 4.43Å; V391-Y393 HydrophobicContact CG2-CE2 3.7Å; Y393-F402 HydrophobicContact CD1-CB 4.22Å; Y393-F402 HydrophobicContact CG-CB 4.39Å; Y393-I403 CarbonylContact C-O 3.57Å; Y393-I403 WeakPolarHBondContact CA-O 3.36Å; Y393-L404 HydrophobicContact CD1-CB 4.13Å; Y393-L404 HydrophobicContact CE1-CB 3.88Å; Y393-L404 HydrophobicContact CE1-CD1 4.2Å; Y393-L404 HydrophobicContact CE2-CD1 4.22Å
394	Q	97.4	Very high	96.3	Very high	57 Å²	57	59.9 Å²	59.9	27%	0.266	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.1	172.4	-172.6	-170.4	-105.9	0	0	109.9	K378 H380 S396 I403 Q405	K378-Q394 HydrophobicContact CD-CG 4.35Å; K378-Q394 VanDerWaalsContact CD-OE1 3.31Å; H380-Q394 WeakPolarHBondContact NE2-CG 3.46Å; Q394-S396 PolarHBondContact O-N 2.92Å; Q394-I403 PolarHBondContact N-O 3.02Å; Q394-I403 PolarHBondContact O-N 3.39Å; Q394-Q405 HydrophobicContact CB-CB 4.38Å
395	W	97.8	Very high	96.1	Very high	29 Å²	29	64.7 Å²	64.7	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.1	172.5	-178	-105	0	0	0	111.5	I328 F333 Y358 A379 Q400 F402	I328-W395 HydrophobicContact CD1-CB 4.48Å; I328-W395 HydrophobicContact CD1-CD2 3.68Å; I328-W395 HydrophobicContact CD1-CE3 3.71Å; I328-W395 HydrophobicContact CD1-CG 4.04Å; I328-W395 HydrophobicContact CD1-CZ3 4.15Å; I328-W395 HydrophobicContact CG2-CG 4.4Å; F333-W395 HydrophobicContact CE1-CH2 4.31Å; F333-W395 AromaticContact CZ-CH2 3.98Å; F333-W395 HydrophobicContact CZ-CH2 3.98Å; Y358-W395 AromaticContact CE1-CH2 3.85Å; Y358-W395 HydrophobicContact CE1-CH2 3.85Å; Y358-W395 HydrophobicContact CE1-CZ3 4.21Å; A379-W395 HydrophobicContact CB-CB 3.78Å; A379-W395 HydrophobicContact CB-CG 4.39Å; A379-W395 WeakPolarHBondContact O-CB 3.48Å; A379-W395 PolarHBondContact O-N 3.4Å; W395-Q400 HydrophobicContact CH2-CB 4.24Å; W395-Q400 WeakPolarHBondContact CH2-O 3.02Å; W395-Q400 HydrophobicContact CZ2-CB 3.9Å; W395-F402 HydrophobicContact CB-CD1 4.28Å; W395-F402 HydrophobicContact CB-CE1 3.99Å; W395-F402 HydrophobicContact CB-CZ 4.48Å; W395-F402 HydrophobicContact CE3-CD1 4.38Å; W395-F402 AromaticContact CE3-CD2 3.69Å; W395-F402 HydrophobicContact CE3-CD2 3.69Å; W395-F402 HydrophobicContact CE3-CE1 4.36Å; W395-F402 AromaticContact CE3-CE2 3.68Å; W395-F402 HydrophobicContact CE3-CE2 3.68Å; W395-F402 HydrophobicContact CE3-CG 4.07Å; W395-F402 HydrophobicContact CE3-CZ 4.03Å; W395-F402 AromaticContact CZ3-CD2 3.99Å; W395-F402 HydrophobicContact CZ3-CD2 3.99Å; W395-F402 HydrophobicContact CZ3-CE2 4.04Å
396	S	96.6	Very high	95.9	Very high	17 Å²	17	66 Å²	66	12%	0.119	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117	173.1	176.6	0	0	0	0	110.9	Q394 S398 N399 Q400 K401 I403	Q394-S396 PolarHBondContact O-N 2.92Å; S396-S398 VanDerWaalsContact C-N 3.3Å; S396-S398 PolarHBondContact O-N 3.5Å; S396-S398 PolarHBondContact OG-OG 2.82Å; S396-S398 VanDerWaalsContact OG-OG 3.07Å; S396-N399 PolarHBondContact OG-N 3.33Å; S396-Q400 WeakPolarHBondContact O-CA 3.37Å; S396-Q400 PolarHBondContact O-N 3.08Å; S396-K401 WeakPolarHBondContact CB-O 3.49Å; S396-K401 PolarHBondContact N-O 3.41Å; S396-K401 PolarHBondContact O-N 2.98Å; S396-I403 VanDerWaalsContact CB-CD1 3.42Å
397	R	92.1	Very high	95.9	Very high	208 Å²	208	65 Å²	65	79%	0.785	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.1	176.2	-65.7	-173.4	-177.7	-168.9	1.2	113.2
398	S	93.5	Very high	96	Very high	102 Å²	102	61.7 Å²	61.7	71%	0.713	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-40.4	-179.7	64.3	0	0	0	0	112	S396	S396-S398 VanDerWaalsContact C-N 3.3Å; S396-S398 PolarHBondContact O-N 3.5Å; S396-S398 PolarHBondContact OG-OG 2.82Å; S396-S398 VanDerWaalsContact OG-OG 3.07Å
399	N	92.9	Very high	95.7	Very high	98 Å²	98	60.3 Å²	60.3	52%	0.524	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-8.5	-174.8	-58.7	-9.7	0	0	0	112.1	S396 K401	S396-N399 PolarHBondContact OG-N 3.33Å; N399-K401 HydrophobicContact CB-CB 4.48Å; N399-K401 WeakPolarHBondContact O-CG 3.43Å; N399-K401 PolarHBondContact O-N 3.12Å
400	Q	94.9	Very high	95.3	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	45.9	-170	-59.4	-175.2	-40.1	0	0	111.3	Y358 W395 S396	Y358-Q400 WeakPolarHBondContact CE1-O 3.45Å; Y358-Q400 VanDerWaalsContact CZ-O 3.28Å; Y358-Q400 VanDerWaalsContact OH-CB 3.28Å; Y358-Q400 WeakPolarHBondContact OH-CB 3.21Å; Y358-Q400 PolarHBondContact OH-O 2.92Å; W395-Q400 HydrophobicContact CH2-CB 4.24Å; W395-Q400 WeakPolarHBondContact CH2-O 3.02Å; W395-Q400 HydrophobicContact CZ2-CB 3.9Å; S396-Q400 WeakPolarHBondContact O-CA 3.37Å; S396-Q400 PolarHBondContact O-N 3.08Å
401	K	96.9	Very high	94.8	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.439	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.9	-177.8	-76.1	-175.5	-178.7	-175.7	0	110.4	Y358 S396 N399	Y358-K401 HydrophobicContact CE1-CG 4.43Å; S396-K401 WeakPolarHBondContact CB-O 3.49Å; S396-K401 PolarHBondContact N-O 3.41Å; S396-K401 PolarHBondContact O-N 2.98Å; N399-K401 HydrophobicContact CB-CB 4.48Å; N399-K401 WeakPolarHBondContact O-CG 3.43Å; N399-K401 PolarHBondContact O-N 3.12Å
402	F	98.1	Very high	94.5	Very high	5 Å²	5	71.2 Å²	71.2	2%	0.022	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.2	167.1	-79.9	-73.9	0	0	0	110.1	F326 I328 L347 Q359 L361 F372 L381 Y393 W395	F326-F402 HydrophobicContact CE2-CE2 4.12Å; F326-F402 HydrophobicContact CE2-CZ 4.11Å; F326-F402 HydrophobicContact CZ-CE2 4.07Å; F326-F402 HydrophobicContact CZ-CZ 4.24Å; I328-F402 HydrophobicContact CD1-CE2 4.12Å; I328-F402 HydrophobicContact CD1-CZ 3.83Å; L347-F402 HydrophobicContact CD2-CD2 3.73Å; L347-F402 HydrophobicContact CD2-CE2 3.85Å; Q359-F402 PolarHBondContact NE2-O 3.06Å; L361-F402 HydrophobicContact CD2-CB 4.24Å; F372-F402 HydrophobicContact CD2-CZ 4.44Å; F372-F402 HydrophobicContact CE2-CZ 4.34Å; L381-F402 HydrophobicContact CB-CD1 4.02Å; L381-F402 HydrophobicContact CB-CE1 3.73Å; L381-F402 HydrophobicContact CB-CZ 4.01Å; Y393-F402 HydrophobicContact CD1-CB 4.22Å; Y393-F402 HydrophobicContact CG-CB 4.39Å; W395-F402 HydrophobicContact CB-CD1 4.28Å; W395-F402 HydrophobicContact CB-CE1 3.99Å; W395-F402 HydrophobicContact CB-CZ 4.48Å; W395-F402 HydrophobicContact CE3-CD1 4.38Å; W395-F402 AromaticContact CE3-CD2 3.69Å; W395-F402 HydrophobicContact CE3-CD2 3.69Å; W395-F402 HydrophobicContact CE3-CE1 4.36Å; W395-F402 AromaticContact CE3-CE2 3.68Å; W395-F402 HydrophobicContact CE3-CE2 3.68Å; W395-F402 HydrophobicContact CE3-CG 4.07Å; W395-F402 HydrophobicContact CE3-CZ 4.03Å; W395-F402 AromaticContact CZ3-CD2 3.99Å; W395-F402 HydrophobicContact CZ3-CD2 3.99Å; W395-F402 HydrophobicContact CZ3-CE2 4.04Å
403	I	97.9	Very high	94.3	Very high	79 Å²	79	72.4 Å²	72.4	41%	0.405	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.8	177.1	-55.7	-177.9	0	0	0	107.5	Y393 Q394 S396 Q405	Y393-I403 CarbonylContact C-O 3.57Å; Y393-I403 WeakPolarHBondContact CA-O 3.36Å; Q394-I403 PolarHBondContact N-O 3.02Å; Q394-I403 PolarHBondContact O-N 3.39Å; S396-I403 VanDerWaalsContact CB-CD1 3.42Å; I403-Q405 PolarHBondContact O-N 2.01Å
404	L	97.2	Very high	94.3	Very high	99 Å²	99	71.6 Å²	71.6	52%	0.518	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	121	176.8	-179.2	65.2	0	0	0	109.3	V391 Y393	V391-L404 HydrophobicContact CB-CD1 4.02Å; V391-L404 HydrophobicContact CG1-CD1 4.48Å; Y393-L404 HydrophobicContact CD1-CB 4.13Å; Y393-L404 HydrophobicContact CE1-CB 3.88Å; Y393-L404 HydrophobicContact CE1-CD1 4.2Å; Y393-L404 HydrophobicContact CE2-CD1 4.22Å
405	Q	94.6	Very high	94.2	Very high	103 Å²	103	69.6 Å²	69.6	48%	0.481	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-35.7	179.7	-180	-178.4	-1.2	0	0	111.4	H380 I392 Q394 I403	H380-Q405 PolarHBondContact CD2-OE1 3.09Å; H380-Q405 PolarHBondContact NE2-OE1 2.97Å; H380-Q405 VanDerWaalsContact NE2-OE1 3.1Å; I392-Q405 HydrophobicContact CG2-CB 4.3Å; I392-Q405 WeakPolarHBondContact O-CB 3.46Å; I392-Q405 PolarHBondContact O-N 3.13Å; Q394-Q405 HydrophobicContact CB-CB 4.38Å; I403-Q405 PolarHBondContact O-N 2.01Å
406	G	94.3	Very high	94.3	Very high	28 Å²	28	68.5 Å²	68.5	29%	0.289	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-159	-178.7	0	0	0	0	0	111.7	I392	I392-G406 WeakPolarHBondContact CG2-O 3.18Å; I392-G406 PolarHBondContact N-O 3.02Å; I392-G406 PolarHBondContact O-N 2.79Å
407	D	94.8	Very high	94.3	Very high	92 Å²	92	67.7 Å²	67.7	49%	0.492	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163	178.6	60.2	-24.1	0	0	0	111.8	V389 P390 P409	V389-D407 HydrophobicContact CG2-CB 3.76Å; P390-D407 CarbonylContact O-C 3.49Å; P390-D407 WeakPolarHBondContact O-CA 3.48Å; D407-P409 WeakPolarHBondContact O-CD 3.47Å
408	I	94.2	Very high	94.6	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.041	32%	0.315	C	S	.	.			trans	-100.8	102.7	169	-50.7	175.1	0	0	0	107.4	I382 P390 L428 M430 L440 F447	I382-I408 HydrophobicContact CD1-CD1 3.99Å; I382-I408 HydrophobicContact CG1-CD1 4.47Å; I382-I408 HydrophobicContact CG2-CD1 4.38Å; P390-I408 HydrophobicContact CB-CB 4.45Å; P390-I408 HydrophobicContact CB-CD1 4.39Å; P390-I408 PolarHBondContact O-N 2.97Å; I408-L428 HydrophobicContact CD1-CD1 3.84Å; I408-M430 HydrophobicContact CB-CE 4.04Å; I408-M430 HydrophobicContact CD1-CE 3.6Å; I408-M430 HydrophobicContact CG1-CE 4.42Å; I408-M430 HydrophobicContact CG2-CE 3.58Å; I408-L440 HydrophobicContact CG2-CD2 4.16Å; I408-F447 HydrophobicContact CD1-CD2 4.08Å; I408-F447 HydrophobicContact CD1-CE2 4.24Å; I408-F447 HydrophobicContact CG1-CD2 4.42Å; I408-F447 HydrophobicContact CG2-CB 4.35Å; I408-F447 HydrophobicContact CG2-CD2 4.49Å
409	P	89.9	Confident	94.9	Very high	59 Å²	59	56.9 Å²	56.9	38%	0.383	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	172	-168.7	30.6	-37	0	0	0	112.4	D407 M411	D407-P409 WeakPolarHBondContact O-CD 3.47Å; P409-M411 PolarHBondContact O-N 2.72Å
410	N	87.2	Confident	95.1	Very high	140 Å²	140	53.2 Å²	53.2	75%	0.749	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16.5	171.8	-48.5	-53.3	0	0	0	115.4
411	M	87.2	Confident	95.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.27	C	S	.	.			trans	-143.8	88.4	171.3	-156.2	166.9	174.4	0	0	112.6	P390 P409 V414 M430 R432 K438	P390-M411 VanDerWaalsContact CD-O 3.3Å; P390-M411 WeakPolarHBondContact CD-O 3.23Å; P409-M411 PolarHBondContact O-N 2.72Å; M411-V414 HydrophobicContact CB-CG2 4.03Å; M411-V414 HydrophobicContact CE-CG2 4.08Å; M411-V414 HydrophobicContact CG-CG2 3.5Å; M411-V414 VanDerWaalsContact CG-CG2 3.5Å; M411-V414 WeakPolarHBondContact O-CG2 3.45Å; M411-V414 HydrophobicContact SD-CG2 3.92Å; M411-M430 HydrophobicContact CB-SD 4.25Å; M411-M430 HydrophobicContact CE-CB 3.44Å; M411-M430 VanDerWaalsContact CE-CB 3.44Å; M411-M430 VanDerWaalsContact CE-O 3.23Å; M411-M430 WeakPolarHBondContact CE-O 3.47Å; M411-M430 HydrophobicContact CG-SD 4.41Å; M411-M430 HydrophobicContact SD-CB 3.27Å; M411-M430 WeakPolarHBondContact SD-CB 3.22Å; M411-M430 HydrophobicContact SD-CG 3.97Å; M411-M430 HydrophobicContact SD-SD 3.46Å; M411-R432 HydrophobicContact CE-CG 3.7Å; M411-K438 HydrophobicContact CE-CB 4.03Å; M411-K438 HydrophobicContact CE-CD 4.34Å; M411-K438 HydrophobicContact CE-CG 3.93Å; M411-K438 HydrophobicContact CG-CD 4.43Å; M411-K438 HydrophobicContact SD-CB 3.81Å; M411-K438 HydrophobicContact SD-CD 3.7Å; M411-K438 HydrophobicContact SD-CG 3.86Å
412	E	90.9	Very high	95	Very high	134 Å²	134	48.7 Å²	48.7	63%	0.626	25%	0.25	S	S	*	.			trans	-78.6	156.2	171.1	-64.4	176.2	-171.4	0	0	111.8	V389 V414 R432	V389-E412 HydrophobicContact CG1-CG 3.92Å; E412-V414 VanDerWaalsContact C-N 3.32Å; E412-V414 PolarHBondContact O-N 3.04Å; E412-R432 PolarHBondContact O-NE 3.09Å; E412-R432 PolarHBondContact O-NH2 2.89Å; E412-R432 VanDerWaalsContact O-NH2 3.14Å
413	D	94.3	Very high	94.6	Very high	40 Å²	40	54.4 Å²	54.4	21%	0.214	28%	0.275	C	S	.	.	S	Bend	trans	59.7	37.2	173.3	-156.3	43	0	0	0	114	R386 S387 Q388	R386-D413 WeakPolarHBondContact CD-OD1 3.47Å; R386-D413 IonicContact CZ-OD1 2.86Å; R386-D413 IonicContact CZ-OD2 3.59Å; R386-D413 VanDerWaalsContact CZ-OD2 3.27Å; R386-D413 IonicContact NE-OD1 3.02Å; R386-D413 IonicContact NH1-OD1 2.86Å; R386-D413 PolarHBondContact NH1-OD1 3.39Å; R386-D413 IonicContact NH1-OD2 3.65Å; R386-D413 PolarHBondContact NH1-OD2 2.69Å; R386-D413 IonicContact NH2-OD2 3.09Å; R386-D413 PolarHBondContact NH2-OD2 2.83Å; S387-D413 PolarHBondContact N-OD1 3.42Å; Q388-D413 PolarHBondContact O-N 3Å
414	V	96.9	Very high	94.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131	170.3	179.8	0	0	0	0	109	A384 P390 M411 E412 A416 V417 M430 T431	A384-V414 HydrophobicContact CB-CB 4.45Å; A384-V414 HydrophobicContact CB-CG1 4.13Å; P390-V414 HydrophobicContact CG-CB 3.85Å; P390-V414 HydrophobicContact CG-CG1 4.17Å; P390-V414 HydrophobicContact CG-CG2 3.69Å; M411-V414 HydrophobicContact CB-CG2 4.03Å; M411-V414 HydrophobicContact CE-CG2 4.08Å; M411-V414 HydrophobicContact CG-CG2 3.5Å; M411-V414 VanDerWaalsContact CG-CG2 3.5Å; M411-V414 WeakPolarHBondContact O-CG2 3.45Å; M411-V414 HydrophobicContact SD-CG2 3.92Å; E412-V414 VanDerWaalsContact C-N 3.32Å; E412-V414 PolarHBondContact O-N 3.04Å; V414-A416 WeakPolarHBondContact CG1-O 3.34Å; V414-V417 HydrophobicContact CG1-CG2 3.7Å; V414-M430 HydrophobicContact CG1-CB 4.28Å; V414-M430 HydrophobicContact CG2-CB 4.43Å; V414-T431 CarbonylContact C-O 3.52Å; V414-T431 WeakPolarHBondContact CA-O 3.32Å
415	V	97.2	Very high	94.1	Very high	14 Å²	14	57.6 Å²	57.6	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-38.4	-179.5	-178.4	0	0	0	0	111.1	T368 D369 T431 M459	T368-V415 WeakPolarHBondContact CB-O 3.48Å; T368-V415 PolarHBondContact OG1-O 3.28Å; D369-V415 WeakPolarHBondContact CB-O 3.19Å; V415-T431 PolarHBondContact N-O 3.11Å; V415-M459 HydrophobicContact CG1-CE 3.89Å; V415-M459 HydrophobicContact CG1-SD 4.26Å
416	A	98.1	Very high	94.2	Very high	6 Å²	6	53 Å²	53	5%	0.05	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.7	179.6	0	0	0	0	0	111.2	D369 V414 T431	D369-A416 HydrophobicContact CB-CB 4.04Å; V414-A416 WeakPolarHBondContact CG1-O 3.34Å; A416-T431 WeakPolarHBondContact O-CB 3.48Å; A416-T431 PolarHBondContact O-N 3.02Å; A416-T431 PolarHBondContact O-OG1 2.83Å
417	V	98.3	Very high	94.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	175.2	-179.6	0	0	0	0	108.3	D369 E371 I382 A384 P390 V414 L428 S429 M430	D369-V417 PolarHBondContact OD2-N 3.3Å; D369-V417 VanDerWaalsContact OD2-O 3.05Å; E371-V417 HydrophobicContact CB-CB 4.32Å; E371-V417 HydrophobicContact CB-CG1 4.43Å; E371-V417 WeakPolarHBondContact CB-O 3.13Å; E371-V417 HydrophobicContact CG-CG1 4.42Å; E371-V417 WeakPolarHBondContact CG-O 3.06Å; I382-V417 HydrophobicContact CD1-CG1 4.36Å; I382-V417 HydrophobicContact CG2-CB 4.38Å; I382-V417 HydrophobicContact CG2-CG1 4.3Å; I382-V417 HydrophobicContact CG2-CG2 4.19Å; A384-V417 HydrophobicContact CB-CG2 4.25Å; P390-V417 HydrophobicContact CB-CG2 4.49Å; P390-V417 HydrophobicContact CG-CG2 4.35Å; V414-V417 HydrophobicContact CG1-CG2 3.7Å; V417-L428 HydrophobicContact CG1-CB 4.46Å; V417-L428 HydrophobicContact CG1-CD1 4.29Å; V417-L428 HydrophobicContact CG1-CD2 4.02Å; V417-L428 HydrophobicContact CG1-CG 4.49Å; V417-S429 WeakPolarHBondContact CA-O 3.43Å; V417-M430 HydrophobicContact CG2-CG 4.37Å
418	K	98.5	Very high	94.5	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	171	-62.2	-69.7	152.8	-144.5	0	110	D369 E371 L428 S429 I460 P463	D369-K418 IonicContact OD1-NZ 2.85Å; D369-K418 PolarHBondContact OD1-NZ 3.24Å; D369-K418 IonicContact OD2-NZ 3.81Å; E371-K418 WeakPolarHBondContact OE2-CD 3.21Å; E371-K418 IonicContact OE2-NZ 2.69Å; E371-K418 PolarHBondContact OE2-NZ 3.43Å; K418-L428 CarbonylContact O-C 3.52Å; K418-L428 WeakPolarHBondContact O-CA 3.34Å; K418-S429 PolarHBondContact N-O 3.25Å; K418-S429 PolarHBondContact O-N 2.71Å; K418-S429 PolarHBondContact O-OG 3.44Å; K418-I460 HydrophobicContact CG-CD1 4.39Å; K418-P463 HydrophobicContact CB-CG 4.08Å
419	H	97.9	Very high	94.7	Very high	62 Å²	62	47 Å²	47	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	152.9	175.5	83.7	-78.3	0	0	0	111.3	E371 F372 L373 L426 Y427 L428	E371-H419 IonicContact OE1-CE1 2.65Å; E371-H419 IonicContact OE1-CG 2.84Å; E371-H419 PolarHBondContact OE1-N 3.4Å; E371-H419 IonicContact OE1-ND1 3.93Å; E371-H419 PolarHBondContact OE1-ND1 3.35Å; F372-H419 PolarHBondContact O-CE1 3.17Å; F372-H419 PolarHBondContact O-ND1 3.22Å; L373-H419 HydrophobicContact CB-CB 4.21Å; L373-H419 HydrophobicContact CD1-CB 4.16Å; H419-L426 HydrophobicContact CB-CD1 4.3Å; H419-Y427 WeakPolarHBondContact CA-O 3.41Å; H419-L428 HydrophobicContact CB-CD2 3.59Å
420	F	97.4	Very high	95	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.088	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.8	172.2	63.3	-76.2	0	0	0	110.6	I422 Y427 V439 P463 F493	F420-I422 HydrophobicContact CD2-CD1 4.27Å; F420-I422 HydrophobicContact CD2-CG1 3.9Å; F420-I422 HydrophobicContact CE2-CD1 3.79Å; F420-I422 HydrophobicContact CE2-CG1 3.88Å; F420-Y427 HydrophobicContact CD2-CD2 4.29Å; F420-Y427 HydrophobicContact CD2-CG 4.45Å; F420-Y427 HydrophobicContact CE1-CG 4.41Å; F420-Y427 AromaticContact CE2-CD2 3.92Å; F420-Y427 HydrophobicContact CE2-CD2 3.92Å; F420-Y427 AromaticContact CE2-CG 3.81Å; F420-Y427 HydrophobicContact CE2-CG 3.81Å; F420-Y427 HydrophobicContact CZ-CD1 4.39Å; F420-Y427 HydrophobicContact CZ-CD2 4.37Å; F420-Y427 AromaticContact CZ-CG 3.8Å; F420-Y427 HydrophobicContact CZ-CG 3.8Å; F420-Y427 PolarHBondContact N-O 2.72Å; F420-Y427 PolarHBondContact O-N 3.43Å; F420-V439 HydrophobicContact CE1-CG1 4.14Å; F420-V439 HydrophobicContact CZ-CG1 3.73Å; F420-P463 HydrophobicContact CB-CB 3.57Å; F420-P463 HydrophobicContact CB-CG 3.66Å; F420-P463 HydrophobicContact CD1-CB 3.46Å; F420-P463 VanDerWaalsContact CD1-CB 3.46Å; F420-P463 HydrophobicContact CD1-CG 3.56Å; F420-P463 HydrophobicContact CD2-CB 4.14Å; F420-P463 HydrophobicContact CE1-CB 4.12Å; F420-P463 HydrophobicContact CE1-CG 4.44Å; F420-P463 HydrophobicContact CG-CB 3.46Å; F420-P463 VanDerWaalsContact CG-CB 3.46Å; F420-P463 HydrophobicContact CG-CG 3.83Å; F420-F493 AromaticContact CE2-CE2 3.87Å; F420-F493 HydrophobicContact CE2-CE2 3.87Å; F420-F493 AromaticContact CE2-CZ 3.83Å; F420-F493 HydrophobicContact CE2-CZ 3.83Å; F420-F493 AromaticContact CZ-CE2 3.73Å; F420-F493 HydrophobicContact CZ-CE2 3.73Å; F420-F493 HydrophobicContact CZ-CZ 4.1Å
421	R	95.6	Very high	95.6	Very high	105 Å²	105	37.6 Å²	37.6	40%	0.396	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.6	176.1	-69.8	176.9	175.7	-94.2	-2.4	109.6	N374 E424 E425 L426 Y470	N374-R421 PolarHBondContact O-NH2 3.3Å; R421-E424 PolarHBondContact NH1-O 2.91Å; R421-E425 VanDerWaalsContact CA-O 3.25Å; R421-E425 WeakPolarHBondContact CA-O 3.08Å; R421-L426 HydrophobicContact CG-CD1 3.94Å; R421-Y470 WeakPolarHBondContact O-CE1 3.35Å
422	I	95.2	Very high	96.1	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.5	166.8	-59.5	-173.2	0	0	0	105.5	F420 E424 E425 Y427 Y470 W486 F493	F420-I422 HydrophobicContact CD2-CD1 4.27Å; F420-I422 HydrophobicContact CD2-CG1 3.9Å; F420-I422 HydrophobicContact CE2-CD1 3.79Å; F420-I422 HydrophobicContact CE2-CG1 3.88Å; I422-E424 PolarHBondContact O-N 3.38Å; I422-E425 PolarHBondContact N-O 3.4Å; I422-E425 PolarHBondContact O-N 2.87Å; I422-E425 VanDerWaalsContact O-N 3.1Å; I422-Y427 HydrophobicContact CB-CD2 4.45Å; I422-Y427 HydrophobicContact CB-CE2 3.87Å; I422-Y427 HydrophobicContact CG1-CD2 4.35Å; I422-Y427 HydrophobicContact CG1-CE2 4.16Å; I422-Y470 HydrophobicContact CB-CD1 4.43Å; I422-Y470 HydrophobicContact CB-CE1 4.35Å; I422-Y470 HydrophobicContact CD1-CD1 4.4Å; I422-Y470 HydrophobicContact CD1-CG 4.08Å; I422-Y470 HydrophobicContact CG1-CD1 3.78Å; I422-Y470 HydrophobicContact CG1-CD2 4.42Å; I422-Y470 HydrophobicContact CG1-CE1 4.15Å; I422-Y470 HydrophobicContact CG1-CG 3.92Å; I422-Y470 HydrophobicContact CG2-CD1 4.49Å; I422-Y470 HydrophobicContact CG2-CD2 3.92Å; I422-Y470 HydrophobicContact CG2-CE1 4.34Å; I422-Y470 HydrophobicContact CG2-CE2 3.75Å; I422-Y470 HydrophobicContact CG2-CG 4.29Å; I422-W486 HydrophobicContact CD1-CB 4.37Å; I422-W486 HydrophobicContact CD1-CD2 3.29Å; I422-W486 VanDerWaalsContact CD1-CE2 3.5Å; I422-W486 HydrophobicContact CD1-CE3 3.52Å; I422-W486 HydrophobicContact CD1-CG 3.71Å; I422-W486 HydrophobicContact CD1-CH2 4.03Å; I422-W486 HydrophobicContact CD1-CZ2 3.85Å; I422-W486 HydrophobicContact CD1-CZ3 3.89Å; I422-F493 HydrophobicContact CD1-CZ 4.17Å
423	K	89.4	Confident	96.4	Very high	125 Å²	125	36.2 Å²	36.2	54%	0.543	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.8	-167.1	-56.3	165.5	-179.4	162.2	0	108.4	Y470 D488	K423-Y470 PolarHBondContact N-OH 3.34Å; K423-D488 IonicContact NZ-OD1 3.14Å; K423-D488 PolarHBondContact NZ-OD1 3.31Å; K423-D488 IonicContact NZ-OD2 3.58Å
424	E	89.5	Confident	96.5	Very high	164 Å²	164	39.5 Å²	39.5	77%	0.766	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.8	178.6	-64	-58	144.9	0	0	113.9	R421 I422	R421-E424 PolarHBondContact NH1-O 2.91Å; I422-E424 PolarHBondContact O-N 3.38Å
425	E	94.2	Very high	96.4	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.8	-175.2	-56.7	-162.6	129.3	0	0	110.7	R421 I422 Y427 K441	R421-E425 VanDerWaalsContact CA-O 3.25Å; R421-E425 WeakPolarHBondContact CA-O 3.08Å; I422-E425 PolarHBondContact N-O 3.4Å; I422-E425 PolarHBondContact O-N 2.87Å; I422-E425 VanDerWaalsContact O-N 3.1Å; E425-Y427 HydrophobicContact CB-CE2 3.58Å; E425-Y427 VanDerWaalsContact O-CD2 3.31Å; E425-Y427 WeakPolarHBondContact O-CD2 3.5Å; E425-Y427 WeakPolarHBondContact O-CE2 3.14Å; E425-Y427 PolarHBondContact OE2-OH 2.84Å; E425-K441 WeakPolarHBondContact OE1-CE 3.46Å; E425-K441 IonicContact OE1-NZ 3.96Å; E425-K441 PolarHBondContact OE1-NZ 3.47Å; E425-K441 WeakPolarHBondContact OE2-CE 3.28Å; E425-K441 IonicContact OE2-NZ 3.4Å; E425-K441 PolarHBondContact OE2-NZ 2.8Å
426	L	96.3	Very high	96.4	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.3	-178.7	177.8	69.2	0	0	0	111.2	L373 L375 H419 R421 W442	L373-L426 HydrophobicContact CD1-CD2 4.28Å; L375-L426 HydrophobicContact CD2-CD2 3.18Å; L375-L426 HydrophobicContact CG-CD2 3.95Å; H419-L426 HydrophobicContact CB-CD1 4.3Å; R421-L426 HydrophobicContact CG-CD1 3.94Å; L426-W442 HydrophobicContact CB-CB 4Å; L426-W442 HydrophobicContact CD2-CB 4.2Å; L426-W442 HydrophobicContact CD2-CG 4.37Å; L426-W442 HydrophobicContact CG-CB 4.28Å; L426-W442 WeakPolarHBondContact O-CB 3.23Å; L426-W442 PolarHBondContact O-N 2.73Å
427	Y	97.8	Very high	96.4	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.6	179.6	-58.6	-96.5	0	0	0	111.2	H419 F420 I422 E425 V439 L440 K441 I450 W486	H419-Y427 WeakPolarHBondContact CA-O 3.41Å; F420-Y427 HydrophobicContact CD2-CD2 4.29Å; F420-Y427 HydrophobicContact CD2-CG 4.45Å; F420-Y427 HydrophobicContact CE1-CG 4.41Å; F420-Y427 AromaticContact CE2-CD2 3.92Å; F420-Y427 HydrophobicContact CE2-CD2 3.92Å; F420-Y427 AromaticContact CE2-CG 3.81Å; F420-Y427 HydrophobicContact CE2-CG 3.81Å; F420-Y427 HydrophobicContact CZ-CD1 4.39Å; F420-Y427 HydrophobicContact CZ-CD2 4.37Å; F420-Y427 AromaticContact CZ-CG 3.8Å; F420-Y427 HydrophobicContact CZ-CG 3.8Å; F420-Y427 PolarHBondContact N-O 2.72Å; F420-Y427 PolarHBondContact O-N 3.43Å; I422-Y427 HydrophobicContact CB-CD2 4.45Å; I422-Y427 HydrophobicContact CB-CE2 3.87Å; I422-Y427 HydrophobicContact CG1-CD2 4.35Å; I422-Y427 HydrophobicContact CG1-CE2 4.16Å; E425-Y427 HydrophobicContact CB-CE2 3.58Å; E425-Y427 VanDerWaalsContact O-CD2 3.31Å; E425-Y427 WeakPolarHBondContact O-CD2 3.5Å; E425-Y427 WeakPolarHBondContact O-CE2 3.14Å; E425-Y427 PolarHBondContact OE2-OH 2.84Å; Y427-V439 HydrophobicContact CD1-CG1 4.46Å; Y427-L440 CarbonylContact C-O 3.57Å; Y427-L440 WeakPolarHBondContact CA-O 3.48Å; Y427-L440 WeakPolarHBondContact CB-O 3.21Å; Y427-K441 HydrophobicContact CD1-CB 3.75Å; Y427-K441 HydrophobicContact CD1-CG 4.09Å; Y427-K441 HydrophobicContact CE1-CB 3.71Å; Y427-K441 HydrophobicContact CE1-CD 3.85Å; Y427-K441 HydrophobicContact CE1-CG 3.73Å; Y427-I450 HydrophobicContact CD1-CD1 3.92Å; Y427-I450 HydrophobicContact CE1-CD1 3.76Å; Y427-W486 HydrophobicContact CE1-CH2 4.1Å
428	L	97.9	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.1	168.3	-63.6	179.7	0	0	0	109.3	L373 I382 I408 V417 K418 H419 M430 V439 L440 F447	L373-L428 HydrophobicContact CD1-CD2 4Å; I382-L428 HydrophobicContact CD1-CD1 3.88Å; I382-L428 HydrophobicContact CD1-CD2 4.15Å; I408-L428 HydrophobicContact CD1-CD1 3.84Å; V417-L428 HydrophobicContact CG1-CB 4.46Å; V417-L428 HydrophobicContact CG1-CD1 4.29Å; V417-L428 HydrophobicContact CG1-CD2 4.02Å; V417-L428 HydrophobicContact CG1-CG 4.49Å; K418-L428 CarbonylContact O-C 3.52Å; K418-L428 WeakPolarHBondContact O-CA 3.34Å; H419-L428 HydrophobicContact CB-CD2 3.59Å; L428-M430 HydrophobicContact CD1-CE 3.78Å; L428-V439 CarbonylContact O-C 3.56Å; L428-V439 WeakPolarHBondContact O-CA 3.12Å; L428-L440 PolarHBondContact N-O 2.87Å; L428-L440 PolarHBondContact O-N 2.92Å; L428-F447 HydrophobicContact CD1-CD1 3.82Å; L428-F447 HydrophobicContact CD1-CD2 3.89Å; L428-F447 HydrophobicContact CD1-CE1 3.55Å; L428-F447 HydrophobicContact CD1-CE2 3.61Å; L428-F447 HydrophobicContact CD1-CG 3.99Å; L428-F447 HydrophobicContact CD1-CZ 3.43Å; L428-F447 VanDerWaalsContact CD1-CZ 3.43Å; L428-F447 HydrophobicContact CD2-CE1 4.38Å; L428-F447 HydrophobicContact CD2-CZ 4.32Å; L428-F447 HydrophobicContact CG-CD1 3.97Å; L428-F447 HydrophobicContact CG-CE1 3.49Å; L428-F447 VanDerWaalsContact CG-CE1 3.49Å; L428-F447 HydrophobicContact CG-CE2 4.41Å; L428-F447 HydrophobicContact CG-CZ 3.73Å
429	S	98.2	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.4	156.3	60.3	0	0	0	0	109	V417 K418 K438 L461 P463	V417-S429 WeakPolarHBondContact CA-O 3.43Å; K418-S429 PolarHBondContact N-O 3.25Å; K418-S429 PolarHBondContact O-N 2.71Å; K418-S429 PolarHBondContact O-OG 3.44Å; S429-K438 WeakPolarHBondContact CA-O 3.22Å; S429-L461 WeakPolarHBondContact CB-O 3.38Å; S429-L461 PolarHBondContact OG-O 2.81Å; S429-P463 WeakPolarHBondContact OG-CD 3.33Å
430	M	97.8	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.3	178	-66.1	-171.2	169.4	0	0	108.9	P390 I408 M411 V414 V417 L428 S437 K438 L440	P390-M430 HydrophobicContact CG-CE 4.42Å; I408-M430 HydrophobicContact CB-CE 4.04Å; I408-M430 HydrophobicContact CD1-CE 3.6Å; I408-M430 HydrophobicContact CG1-CE 4.42Å; I408-M430 HydrophobicContact CG2-CE 3.58Å; M411-M430 HydrophobicContact CB-SD 4.25Å; M411-M430 HydrophobicContact CE-CB 3.44Å; M411-M430 VanDerWaalsContact CE-CB 3.44Å; M411-M430 VanDerWaalsContact CE-O 3.23Å; M411-M430 WeakPolarHBondContact CE-O 3.47Å; M411-M430 HydrophobicContact CG-SD 4.41Å; M411-M430 HydrophobicContact SD-CB 3.27Å; M411-M430 WeakPolarHBondContact SD-CB 3.22Å; M411-M430 HydrophobicContact SD-CG 3.97Å; M411-M430 HydrophobicContact SD-SD 3.46Å; V414-M430 HydrophobicContact CG1-CB 4.28Å; V414-M430 HydrophobicContact CG2-CB 4.43Å; V417-M430 HydrophobicContact CG2-CG 4.37Å; L428-M430 HydrophobicContact CD1-CE 3.78Å; M430-S437 CarbonylContact O-C 3.58Å; M430-S437 VanDerWaalsContact O-CA 3.28Å; M430-S437 WeakPolarHBondContact O-CA 3.26Å; M430-S437 WeakPolarHBondContact O-CB 3.41Å; M430-K438 PolarHBondContact N-O 3.33Å; M430-K438 PolarHBondContact O-N 2.92Å; M430-L440 HydrophobicContact CB-CD1 4.39Å; M430-L440 HydrophobicContact CE-CD1 4.39Å; M430-L440 HydrophobicContact CE-CD2 3.9Å; M430-L440 HydrophobicContact CG-CD1 3.91Å; M430-L440 HydrophobicContact SD-CD1 3.67Å; M430-L440 HydrophobicContact SD-CD2 3.94Å; M430-L440 HydrophobicContact SD-CG 4.48Å
431	T	98.5	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.3	-172.4	-47.8	0	0	0	0	110.8	V414 V415 A416 S437 L461	V414-T431 CarbonylContact C-O 3.52Å; V414-T431 WeakPolarHBondContact CA-O 3.32Å; V415-T431 PolarHBondContact N-O 3.11Å; A416-T431 WeakPolarHBondContact O-CB 3.48Å; A416-T431 PolarHBondContact O-N 3.02Å; A416-T431 PolarHBondContact O-OG1 2.83Å; T431-S437 WeakPolarHBondContact CA-OG 3.29Å; T431-L461 HydrophobicContact CG2-CB 4.3Å; T431-L461 VanDerWaalsContact OG1-CB 3.31Å; T431-L461 WeakPolarHBondContact OG1-CB 3.49Å; T431-L461 PolarHBondContact OG1-N 3.46Å
432	R	97.4	Very high	96.3	Very high	50 Å²	50	41.4 Å²	41.4	19%	0.189	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.5	166.7	-78.2	-173.6	-178.9	153.8	-15.3	111.5	M411 E412 D436 S437 S455 S458	M411-R432 HydrophobicContact CE-CG 3.7Å; E412-R432 PolarHBondContact O-NE 3.09Å; E412-R432 PolarHBondContact O-NH2 2.89Å; E412-R432 VanDerWaalsContact O-NH2 3.14Å; R432-D436 WeakPolarHBondContact CD-O 3.47Å; R432-D436 PolarHBondContact NH1-O 3.33Å; R432-S437 PolarHBondContact N-OG 2.81Å; R432-S455 WeakPolarHBondContact O-CB 3.35Å; R432-S455 PolarHBondContact O-OG 3.4Å; R432-S458 CarbonylContact C-O 3.55Å; R432-S458 WeakPolarHBondContact O-CB 3.06Å
433	Y	97.5	Very high	96.1	Very high	58 Å²	58	42.2 Å²	42.2	23%	0.227	21%	0.21	C	C	.	.	S	Bend	trans	-62.6	-46.9	173.8	-170.2	-104.2	0	0	0	112.6	G457 S458 M459 Y478	Y433-G457 CarbonylContact O-C 3.59Å; Y433-G457 WeakPolarHBondContact O-CA 3.35Å; Y433-G457 PolarHBondContact O-N 3.49Å; Y433-S458 VanDerWaalsContact CA-O 3.22Å; Y433-S458 WeakPolarHBondContact CA-O 3.41Å; Y433-S458 PolarHBondContact N-O 3.08Å; Y433-S458 PolarHBondContact O-N 2.8Å; Y433-M459 HydrophobicContact CD2-CG 4.45Å; Y433-M459 HydrophobicContact CD2-SD 3.66Å; Y433-M459 HydrophobicContact CE2-SD 4.07Å; Y433-Y478 HydrophobicContact CE1-CE2 4.42Å; Y433-Y478 PolarHBondContact OH-OH 3.5Å
434	I	95.9	Very high	96	Very high	109 Å²	109	42.7 Å²	42.7	56%	0.559	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.9	177.4	53.1	168.8	0	0	0	110.3
435	G	95.6	Very high	95.8	Very high	45 Å²	45	43.8 Å²	43.8	46%	0.464	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.5	-140	-170.7	0	0	0	0	0	109.6	S455	G435-S455 WeakPolarHBondContact O-CA 3.48Å; G435-S455 WeakPolarHBondContact O-CB 2.94Å; G435-S455 PolarHBondContact O-N 2.91Å
436	D	97.1	Very high	95.7	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.8	-178.9	-54.6	-38.9	0	0	0	110.9	R432 A452	R432-D436 WeakPolarHBondContact CD-O 3.47Å; R432-D436 PolarHBondContact NH1-O 3.33Å; D436-A452 HydrophobicContact CB-CB 4.14Å
437	S	98.1	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.8	159.9	-69.3	0	0	0	0	109.3	M430 T431 R432 A452 V453 S455	M430-S437 CarbonylContact O-C 3.58Å; M430-S437 VanDerWaalsContact O-CA 3.28Å; M430-S437 WeakPolarHBondContact O-CA 3.26Å; M430-S437 WeakPolarHBondContact O-CB 3.41Å; T431-S437 WeakPolarHBondContact CA-OG 3.29Å; R432-S437 PolarHBondContact N-OG 2.81Å; S437-A452 CarbonylContact O-C 3.59Å; S437-A452 WeakPolarHBondContact O-CA 3.47Å; S437-V453 PolarHBondContact N-O 3.21Å; S437-V453 PolarHBondContact O-N 3.08Å; S437-S455 VanDerWaalsContact CB-OG 3.29Å; S437-S455 WeakPolarHBondContact CB-OG 2.96Å; S437-S455 PolarHBondContact N-OG 2.91Å; S437-S455 PolarHBondContact OG-OG 3.45Å
438	K	97.9	Very high	95.4	Very high	32 Å²	32	49.7 Å²	49.7	14%	0.139	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149	-171.8	-63.1	-174.9	173.4	-168.8	0	111.9	M411 S429 M430 L440 E449 Q451	M411-K438 HydrophobicContact CE-CB 4.03Å; M411-K438 HydrophobicContact CE-CD 4.34Å; M411-K438 HydrophobicContact CE-CG 3.93Å; M411-K438 HydrophobicContact CG-CD 4.43Å; M411-K438 HydrophobicContact SD-CB 3.81Å; M411-K438 HydrophobicContact SD-CD 3.7Å; M411-K438 HydrophobicContact SD-CG 3.86Å; S429-K438 WeakPolarHBondContact CA-O 3.22Å; M430-K438 PolarHBondContact N-O 3.33Å; M430-K438 PolarHBondContact O-N 2.92Å; K438-L440 HydrophobicContact CB-CD1 3.59Å; K438-E449 HydrophobicContact CD-CG 4.22Å; K438-E449 VanDerWaalsContact CD-OE2 3.3Å; K438-E449 WeakPolarHBondContact CD-OE2 3.34Å; K438-E449 WeakPolarHBondContact CE-OE2 3.27Å; K438-E449 IonicContact NZ-OE2 3.85Å; K438-E449 PolarHBondContact NZ-OE2 3.39Å; K438-Q451 CarbonylContact C-O 3.36Å; K438-Q451 WeakPolarHBondContact CA-O 3.39Å
439	V	98.2	Very high	95.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.6	165.7	-174.7	0	0	0	0	107.7	F420 Y427 L428 I450 Q451 L472 F493	F420-V439 HydrophobicContact CE1-CG1 4.14Å; F420-V439 HydrophobicContact CZ-CG1 3.73Å; Y427-V439 HydrophobicContact CD1-CG1 4.46Å; L428-V439 CarbonylContact O-C 3.56Å; L428-V439 WeakPolarHBondContact O-CA 3.12Å; V439-I450 HydrophobicContact CB-CD1 4.36Å; V439-I450 HydrophobicContact CB-CG1 3.99Å; V439-I450 HydrophobicContact CG1-CD1 3.75Å; V439-I450 HydrophobicContact CG1-CG1 3.8Å; V439-I450 VanDerWaalsContact O-CG1 3.26Å; V439-I450 WeakPolarHBondContact O-CG1 3.19Å; V439-I450 PolarHBondContact O-N 3.05Å; V439-Q451 HydrophobicContact CB-CB 4.27Å; V439-Q451 PolarHBondContact N-O 3.02Å; V439-Q451 PolarHBondContact O-N 3.16Å; V439-L472 HydrophobicContact CG2-CD2 3.73Å; V439-F493 HydrophobicContact CG1-CE2 4.48Å; V439-F493 HydrophobicContact CG2-CD2 4.37Å
440	L	97.4	Very high	95.2	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.058	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.8	-180	-67.1	73.1	0	0	0	109.4	I408 Y427 L428 M430 K438 F447 S448	I408-L440 HydrophobicContact CG2-CD2 4.16Å; Y427-L440 CarbonylContact C-O 3.57Å; Y427-L440 WeakPolarHBondContact CA-O 3.48Å; Y427-L440 WeakPolarHBondContact CB-O 3.21Å; L428-L440 PolarHBondContact N-O 2.87Å; L428-L440 PolarHBondContact O-N 2.92Å; M430-L440 HydrophobicContact CB-CD1 4.39Å; M430-L440 HydrophobicContact CE-CD1 4.39Å; M430-L440 HydrophobicContact CE-CD2 3.9Å; M430-L440 HydrophobicContact CG-CD1 3.91Å; M430-L440 HydrophobicContact SD-CD1 3.67Å; M430-L440 HydrophobicContact SD-CD2 3.94Å; M430-L440 HydrophobicContact SD-CG 4.48Å; K438-L440 HydrophobicContact CB-CD1 3.59Å; L440-F447 HydrophobicContact CB-CB 4.05Å; L440-F447 HydrophobicContact CB-CD1 4.32Å; L440-F447 HydrophobicContact CD2-CB 3.72Å; L440-S448 CarbonylContact C-O 3.53Å; L440-S448 VanDerWaalsContact CA-O 3.3Å; L440-S448 WeakPolarHBondContact CA-O 3.46Å
441	K	96.8	Very high	95.2	Very high	58 Å²	58	58.2 Å²	58.2	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.6	174.1	179.3	173.6	174.4	166.2	0	110.1	E425 Y427 G443 F447 S448 I450	E425-K441 WeakPolarHBondContact OE1-CE 3.46Å; E425-K441 IonicContact OE1-NZ 3.96Å; E425-K441 PolarHBondContact OE1-NZ 3.47Å; E425-K441 WeakPolarHBondContact OE2-CE 3.28Å; E425-K441 IonicContact OE2-NZ 3.4Å; E425-K441 PolarHBondContact OE2-NZ 2.8Å; Y427-K441 HydrophobicContact CD1-CB 3.75Å; Y427-K441 HydrophobicContact CD1-CG 4.09Å; Y427-K441 HydrophobicContact CE1-CB 3.71Å; Y427-K441 HydrophobicContact CE1-CD 3.85Å; Y427-K441 HydrophobicContact CE1-CG 3.73Å; K441-G443 PolarHBondContact O-N 2.89Å; K441-F447 CarbonylContact O-C 3.47Å; K441-F447 WeakPolarHBondContact O-CA 3.32Å; K441-S448 PolarHBondContact N-O 3.32Å; K441-S448 PolarHBondContact O-N 2.93Å; K441-I450 HydrophobicContact CB-CG2 3.7Å
442	W	95.1	Very high	95.1	Very high	51 Å²	51	60.3 Å²	60.3	19%	0.193	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	117.7	170.7	-177.4	-121.1	0	0	0	110	L375 D376 L426 K445 F447	L375-W442 HydrophobicContact CD2-CD2 3.63Å; L375-W442 HydrophobicContact CD2-CE3 3.99Å; L375-W442 HydrophobicContact CD2-CG 3.91Å; L375-W442 HydrophobicContact CD2-CZ2 4.25Å; L375-W442 HydrophobicContact CD2-CZ3 4.44Å; D376-W442 PolarHBondContact OD1-NE1 3.14Å; D376-W442 PolarHBondContact OD2-NE1 2.98Å; L426-W442 HydrophobicContact CB-CB 4Å; L426-W442 HydrophobicContact CD2-CB 4.2Å; L426-W442 HydrophobicContact CD2-CG 4.37Å; L426-W442 HydrophobicContact CG-CB 4.28Å; L426-W442 WeakPolarHBondContact O-CB 3.23Å; L426-W442 PolarHBondContact O-N 2.73Å; W442-K445 WeakPolarHBondContact CH2-O 3.43Å; W442-F447 HydrophobicContact CB-CD1 4.13Å; W442-F447 HydrophobicContact CB-CE1 3.74Å; W442-F447 HydrophobicContact CB-CZ 4.43Å; W442-F447 HydrophobicContact CD2-CE1 4.38Å; W442-F447 HydrophobicContact CD2-CZ 4.33Å; W442-F447 AromaticContact CE3-CD1 3.97Å; W442-F447 HydrophobicContact CE3-CD1 3.97Å; W442-F447 AromaticContact CE3-CD2 3.72Å; W442-F447 HydrophobicContact CE3-CD2 3.72Å; W442-F447 AromaticContact CE3-CE1 3.84Å; W442-F447 HydrophobicContact CE3-CE1 3.84Å; W442-F447 AromaticContact CE3-CE2 3.58Å; W442-F447 HydrophobicContact CE3-CE2 3.58Å; W442-F447 AromaticContact CE3-CG 3.91Å; W442-F447 HydrophobicContact CE3-CG 3.91Å; W442-F447 AromaticContact CE3-CZ 3.65Å; W442-F447 HydrophobicContact CE3-CZ 3.65Å; W442-F447 HydrophobicContact CG-CE1 4.39Å; W442-F447 AromaticContact CZ3-CD2 3.9Å; W442-F447 HydrophobicContact CZ3-CD2 3.9Å; W442-F447 AromaticContact CZ3-CE2 3.83Å; W442-F447 HydrophobicContact CZ3-CE2 3.83Å; W442-F447 HydrophobicContact CZ3-CG 4.45Å; W442-F447 HydrophobicContact CZ3-CZ 4.33Å
443	G	91.7	Very high	95.1	Very high	22 Å²	22	58 Å²	58	23%	0.227	31%	0.312	C	S	.	.			trans	-98.2	-165.8	171.8	0	0	0	0	0	112.3	K441 K445 Q446	K441-G443 PolarHBondContact O-N 2.89Å; G443-K445 PolarHBondContact O-N 2.89Å; G443-K445 VanDerWaalsContact O-N 3.08Å; G443-Q446 PolarHBondContact N-O 3.28Å
444	P	86.8	Confident	95.1	Very high	135 Å²	135	58.2 Å²	58.2	88%	0.877	32%	0.32	S	S	*	.	S	Bend	trans	-61.8	-20.5	-176.7	-25.3	34.3	0	0	0	115.9
445	K	86.3	Confident	95.2	Very high	188 Å²	188	53.1 Å²	53.1	82%	0.817	30%	0.295	S	S	*	.	S	Bend	trans	-145	-21.6	-175.7	-67.4	-171.7	179	-178.7	0	114.9	W442 G443	W442-K445 WeakPolarHBondContact CH2-O 3.43Å; G443-K445 PolarHBondContact O-N 2.89Å; G443-K445 VanDerWaalsContact O-N 3.08Å
446	Q	90.9	Very high	95.3	Very high	131 Å²	131	58.3 Å²	58.3	61%	0.612	30%	0.3	S	S	*	.	S	Bend	trans	-153.2	163.3	-173.1	67.5	-177.8	0	0	0	110.6	G443	G443-Q446 PolarHBondContact N-O 3.28Å
447	F	93.9	Very high	95.3	Very high	24 Å²	24	54.9 Å²	54.9	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.5	170	-71.3	-77.2	0	0	0	111.2	L373 L375 I408 L428 L440 K441 W442	L373-F447 HydrophobicContact CD1-CZ 4.47Å; L375-F447 HydrophobicContact CD1-CE2 4.48Å; L375-F447 HydrophobicContact CD1-CZ 4.42Å; L375-F447 HydrophobicContact CD2-CE2 4.5Å; L375-F447 HydrophobicContact CD2-CZ 3.89Å; I408-F447 HydrophobicContact CD1-CD2 4.08Å; I408-F447 HydrophobicContact CD1-CE2 4.24Å; I408-F447 HydrophobicContact CG1-CD2 4.42Å; I408-F447 HydrophobicContact CG2-CB 4.35Å; I408-F447 HydrophobicContact CG2-CD2 4.49Å; L428-F447 HydrophobicContact CD1-CD1 3.82Å; L428-F447 HydrophobicContact CD1-CD2 3.89Å; L428-F447 HydrophobicContact CD1-CE1 3.55Å; L428-F447 HydrophobicContact CD1-CE2 3.61Å; L428-F447 HydrophobicContact CD1-CG 3.99Å; L428-F447 HydrophobicContact CD1-CZ 3.43Å; L428-F447 VanDerWaalsContact CD1-CZ 3.43Å; L428-F447 HydrophobicContact CD2-CE1 4.38Å; L428-F447 HydrophobicContact CD2-CZ 4.32Å; L428-F447 HydrophobicContact CG-CD1 3.97Å; L428-F447 HydrophobicContact CG-CE1 3.49Å; L428-F447 VanDerWaalsContact CG-CE1 3.49Å; L428-F447 HydrophobicContact CG-CE2 4.41Å; L428-F447 HydrophobicContact CG-CZ 3.73Å; L440-F447 HydrophobicContact CB-CB 4.05Å; L440-F447 HydrophobicContact CB-CD1 4.32Å; L440-F447 HydrophobicContact CD2-CB 3.72Å; K441-F447 CarbonylContact O-C 3.47Å; K441-F447 WeakPolarHBondContact O-CA 3.32Å; W442-F447 HydrophobicContact CB-CD1 4.13Å; W442-F447 HydrophobicContact CB-CE1 3.74Å; W442-F447 HydrophobicContact CB-CZ 4.43Å; W442-F447 HydrophobicContact CD2-CE1 4.38Å; W442-F447 HydrophobicContact CD2-CZ 4.33Å; W442-F447 AromaticContact CE3-CD1 3.97Å; W442-F447 HydrophobicContact CE3-CD1 3.97Å; W442-F447 AromaticContact CE3-CD2 3.72Å; W442-F447 HydrophobicContact CE3-CD2 3.72Å; W442-F447 AromaticContact CE3-CE1 3.84Å; W442-F447 HydrophobicContact CE3-CE1 3.84Å; W442-F447 AromaticContact CE3-CE2 3.58Å; W442-F447 HydrophobicContact CE3-CE2 3.58Å; W442-F447 AromaticContact CE3-CG 3.91Å; W442-F447 HydrophobicContact CE3-CG 3.91Å; W442-F447 AromaticContact CE3-CZ 3.65Å; W442-F447 HydrophobicContact CE3-CZ 3.65Å; W442-F447 HydrophobicContact CG-CE1 4.39Å; W442-F447 AromaticContact CZ3-CD2 3.9Å; W442-F447 HydrophobicContact CZ3-CD2 3.9Å; W442-F447 AromaticContact CZ3-CE2 3.83Å; W442-F447 HydrophobicContact CZ3-CE2 3.83Å; W442-F447 HydrophobicContact CZ3-CG 4.45Å; W442-F447 HydrophobicContact CZ3-CZ 4.33Å
448	S	94.6	Very high	95.3	Very high	59 Å²	59	54.9 Å²	54.9	41%	0.413	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.1	173.8	58.2	0	0	0	0	110.6	L440 K441 I450	L440-S448 CarbonylContact C-O 3.53Å; L440-S448 VanDerWaalsContact CA-O 3.3Å; L440-S448 WeakPolarHBondContact CA-O 3.46Å; K441-S448 PolarHBondContact N-O 3.32Å; K441-S448 PolarHBondContact O-N 2.93Å; S448-I450 PolarHBondContact O-N 2.78Å
449	E	95.9	Very high	95.3	Very high	95 Å²	95	56 Å²	56	44%	0.444	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.7	175.6	-176.5	178.8	158.7	0	0	111.4	K438	K438-E449 HydrophobicContact CD-CG 4.22Å; K438-E449 VanDerWaalsContact CD-OE2 3.3Å; K438-E449 WeakPolarHBondContact CD-OE2 3.34Å; K438-E449 WeakPolarHBondContact CE-OE2 3.27Å; K438-E449 IonicContact NZ-OE2 3.85Å; K438-E449 PolarHBondContact NZ-OE2 3.39Å
450	I	96.3	Very high	95.3	Very high	52 Å²	52	56.5 Å²	56.5	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-25.3	172.8	60.4	155.5	0	0	0	112.4	Y427 V439 K441 S448 W486	Y427-I450 HydrophobicContact CD1-CD1 3.92Å; Y427-I450 HydrophobicContact CE1-CD1 3.76Å; V439-I450 HydrophobicContact CB-CD1 4.36Å; V439-I450 HydrophobicContact CB-CG1 3.99Å; V439-I450 HydrophobicContact CG1-CD1 3.75Å; V439-I450 HydrophobicContact CG1-CG1 3.8Å; V439-I450 VanDerWaalsContact O-CG1 3.26Å; V439-I450 WeakPolarHBondContact O-CG1 3.19Å; V439-I450 PolarHBondContact O-N 3.05Å; K441-I450 HydrophobicContact CB-CG2 3.7Å; S448-I450 PolarHBondContact O-N 2.78Å; I450-W486 HydrophobicContact CD1-CH2 4.07Å; I450-W486 HydrophobicContact CD1-CZ3 4.08Å
451	Q	97.4	Very high	95.3	Very high	31 Å²	31	56 Å²	56	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	139.8	-176.6	-171.9	174.1	24.4	0	0	111.1	K438 V439 V453 F493	K438-Q451 CarbonylContact C-O 3.36Å; K438-Q451 WeakPolarHBondContact CA-O 3.39Å; V439-Q451 HydrophobicContact CB-CB 4.27Å; V439-Q451 PolarHBondContact N-O 3.02Å; V439-Q451 PolarHBondContact O-N 3.16Å; Q451-V453 HydrophobicContact CG-CG2 4.33Å; Q451-F493 PolarHBondContact NE2-O 3.32Å
452	A	97.4	Very high	95.4	Very high	44 Å²	44	55 Å²	55	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141	167.9	0	0	0	0	0	110	D436 S437	D436-A452 HydrophobicContact CB-CB 4.14Å; S437-A452 CarbonylContact O-C 3.59Å; S437-A452 WeakPolarHBondContact O-CA 3.47Å
453	V	97	Very high	95.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.4	-175.8	-156.1	0	0	0	0	109.2	S437 Q451 S455 L474 Y484	S437-V453 PolarHBondContact N-O 3.21Å; S437-V453 PolarHBondContact O-N 3.08Å; Q451-V453 HydrophobicContact CG-CG2 4.33Å; V453-S455 PolarHBondContact O-N 3.37Å; V453-L474 HydrophobicContact CG1-CD2 3.89Å; V453-Y484 HydrophobicContact CG1-CE1 3.96Å; V453-Y484 HydrophobicContact CG1-CE2 3.7Å; V453-Y484 WeakPolarHBondContact CG1-OH 3.49Å
454	P	97.4	Very high	95.9	Very high	61 Å²	61	52.7 Å²	52.7	40%	0.396	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.4	-173.7	-24.1	33.9	0	0	0	112.9	L474	P454-L474 WeakPolarHBondContact O-CD2 3.46Å
455	S	98.1	Very high	96.3	Very high	3 Å²	3	49 Å²	49	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	-179.5	-60.1	0	0	0	0	112.1	R432 G435 S437 V453	R432-S455 WeakPolarHBondContact O-CB 3.35Å; R432-S455 PolarHBondContact O-OG 3.4Å; G435-S455 WeakPolarHBondContact O-CA 3.48Å; G435-S455 WeakPolarHBondContact O-CB 2.94Å; G435-S455 PolarHBondContact O-N 2.91Å; S437-S455 VanDerWaalsContact CB-OG 3.29Å; S437-S455 WeakPolarHBondContact CB-OG 2.96Å; S437-S455 PolarHBondContact N-OG 2.91Å; S437-S455 PolarHBondContact OG-OG 3.45Å; V453-S455 PolarHBondContact O-N 3.37Å
456	R	96.6	Very high	96.7	Very high	153 Å²	153	40.2 Å²	40.2	58%	0.577	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	79	-179.9	-57.3	-62.2	-176.3	-180	-1.4	109	S476 D477 Y478 T479	R456-S476 PolarHBondContact O-OG 3.03Å; R456-D477 PolarHBondContact O-N 2.88Å; R456-Y478 VanDerWaalsContact C-CD2 3.47Å; R456-Y478 HydrophobicContact CB-CD2 4.42Å; R456-Y478 PolarHBondContact O-N 2.75Å; R456-T479 HydrophobicContact CB-CG2 4.35Å; R456-T479 HydrophobicContact CG-CG2 4.43Å
457	G	97.4	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	66.2	49.7	-172.4	0	0	0	0	0	111.4	Y433 D477	Y433-G457 CarbonylContact O-C 3.59Å; Y433-G457 WeakPolarHBondContact O-CA 3.35Å; Y433-G457 PolarHBondContact O-N 3.49Å; G457-D477 WeakPolarHBondContact O-CB 3.44Å; G457-D477 PolarHBondContact O-N 2.88Å
458	S	98.1	Very high	96.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.			trans	-91.1	127	-175.9	-168.6	0	0	0	0	112.1	R432 Y433 I460 L474 G475	R432-S458 CarbonylContact C-O 3.55Å; R432-S458 WeakPolarHBondContact O-CB 3.06Å; Y433-S458 VanDerWaalsContact CA-O 3.22Å; Y433-S458 WeakPolarHBondContact CA-O 3.41Å; Y433-S458 PolarHBondContact N-O 3.08Å; Y433-S458 PolarHBondContact O-N 2.8Å; S458-I460 PolarHBondContact OG-O 2.97Å; S458-L474 WeakPolarHBondContact OG-CD1 3.35Å; S458-G475 WeakPolarHBondContact CA-O 3.32Å; S458-G475 WeakPolarHBondContact CB-O 3.38Å; S458-G475 PolarHBondContact OG-O 3.19Å
459	M	98	Very high	96	Very high	56 Å²	56	47.1 Å²	47.1	28%	0.276	23%	0.233	S	C	.	.	S	Bend	trans	-103.2	-14.3	174.8	-66.5	-62.2	-65.9	0	0	112.9	V415 Y433	V415-M459 HydrophobicContact CG1-CE 3.89Å; V415-M459 HydrophobicContact CG1-SD 4.26Å; Y433-M459 HydrophobicContact CD2-CG 4.45Å; Y433-M459 HydrophobicContact CD2-SD 3.66Å; Y433-M459 HydrophobicContact CE2-SD 4.07Å
460	I	98.2	Very high	96	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.046	22%	0.219	C	C	.	.			trans	-148.9	136.5	-179	-171.5	63.6	0	0	0	111.9	K418 S458 Q462 G475 F507	K418-I460 HydrophobicContact CG-CD1 4.39Å; S458-I460 PolarHBondContact OG-O 2.97Å; I460-Q462 HydrophobicContact CD1-CB 4.43Å; I460-Q462 HydrophobicContact CG1-CB 3.91Å; I460-G475 PolarHBondContact O-N 2.92Å; I460-F507 HydrophobicContact CG2-CD2 3.74Å; I460-F507 HydrophobicContact CG2-CE2 3.68Å
461	L	98.6	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	88.1	165.4	-177.6	59.7	0	0	0	108.2	S429 T431 P463 L472 A473 L474	S429-L461 WeakPolarHBondContact CB-O 3.38Å; S429-L461 PolarHBondContact OG-O 2.81Å; T431-L461 HydrophobicContact CG2-CB 4.3Å; T431-L461 VanDerWaalsContact OG1-CB 3.31Å; T431-L461 WeakPolarHBondContact OG1-CB 3.49Å; T431-L461 PolarHBondContact OG1-N 3.46Å; L461-P463 WeakPolarHBondContact O-CD 3.32Å; L461-L472 HydrophobicContact CD1-CD1 3.77Å; L461-L472 HydrophobicContact CD1-CD2 3.79Å; L461-L472 HydrophobicContact CD1-CG 3.53Å; L461-L472 HydrophobicContact CD2-CD2 4.39Å; L461-L472 HydrophobicContact CG-CD1 3.84Å; L461-L472 HydrophobicContact CG-CD2 4.28Å; L461-L472 HydrophobicContact CG-CG 4.14Å; L461-A473 CarbonylContact C-O 3.17Å; L461-A473 WeakPolarHBondContact CA-O 3.5Å; L461-L474 HydrophobicContact CB-CD1 4.31Å; L461-L474 HydrophobicContact CD1-CB 3.76Å; L461-L474 HydrophobicContact CD1-CD1 3.79Å; L461-L474 HydrophobicContact CD1-CG 4.36Å
462	Q	98.6	Very high	96.2	Very high	39 Å²	39	40.6 Å²	40.6	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.3	-170.4	-178.6	67.2	43.8	0	0	111.3	I460 A473 F507	I460-Q462 HydrophobicContact CD1-CB 4.43Å; I460-Q462 HydrophobicContact CG1-CB 3.91Å; Q462-A473 PolarHBondContact N-O 2.82Å; Q462-A473 PolarHBondContact O-N 3.38Å; Q462-F507 HydrophobicContact CB-CB 3.91Å; Q462-F507 HydrophobicContact CB-CD2 4.19Å; Q462-F507 HydrophobicContact CG-CB 3.95Å; Q462-F507 WeakPolarHBondContact CG-O 3.49Å
463	P	98.4	Very high	96.2	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.1	166.4	33.2	-34.8	0	0	0	110	K418 F420 S429 L461 Y471 L472	K418-P463 HydrophobicContact CB-CG 4.08Å; F420-P463 HydrophobicContact CB-CB 3.57Å; F420-P463 HydrophobicContact CB-CG 3.66Å; F420-P463 HydrophobicContact CD1-CB 3.46Å; F420-P463 VanDerWaalsContact CD1-CB 3.46Å; F420-P463 HydrophobicContact CD1-CG 3.56Å; F420-P463 HydrophobicContact CD2-CB 4.14Å; F420-P463 HydrophobicContact CE1-CB 4.12Å; F420-P463 HydrophobicContact CE1-CG 4.44Å; F420-P463 HydrophobicContact CG-CB 3.46Å; F420-P463 VanDerWaalsContact CG-CB 3.46Å; F420-P463 HydrophobicContact CG-CG 3.83Å; S429-P463 WeakPolarHBondContact OG-CD 3.33Å; L461-P463 WeakPolarHBondContact O-CD 3.32Å; P463-Y471 WeakPolarHBondContact CA-O 3.44Å; P463-L472 HydrophobicContact CB-CD1 4.09Å
464	F	97.7	Very high	96.3	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.5	174.9	66.8	-82.2	0	0	0	111.6	F214 F466 Y471 A473 I483 V509 I518	F214-F464 AromaticContact CE1-CE2 3.81Å; F214-F464 HydrophobicContact CE1-CE2 3.81Å; F214-F464 HydrophobicContact CE1-CZ 4.17Å; F214-F464 HydrophobicContact CE2-CZ 4.45Å; F214-F464 AromaticContact CZ-CE2 3.57Å; F214-F464 HydrophobicContact CZ-CE2 3.57Å; F214-F464 AromaticContact CZ-CZ 3.75Å; F214-F464 HydrophobicContact CZ-CZ 3.75Å; F464-F466 AromaticContact CD2-CD2 3.98Å; F464-F466 HydrophobicContact CD2-CD2 3.98Å; F464-F466 AromaticContact CD2-CE2 3.69Å; F464-F466 HydrophobicContact CD2-CE2 3.69Å; F464-F466 AromaticContact CE2-CD2 3.96Å; F464-F466 HydrophobicContact CE2-CD2 3.96Å; F464-F466 AromaticContact CE2-CE2 3.68Å; F464-F466 HydrophobicContact CE2-CE2 3.68Å; F464-Y471 HydrophobicContact CD2-CD2 4.12Å; F464-Y471 HydrophobicContact CD2-CG 4.35Å; F464-Y471 VanDerWaalsContact CE1-CB 3.43Å; F464-Y471 HydrophobicContact CE1-CG 4.45Å; F464-Y471 VanDerWaalsContact CE2-CB 3.47Å; F464-Y471 AromaticContact CE2-CD2 3.71Å; F464-Y471 HydrophobicContact CE2-CD2 3.71Å; F464-Y471 AromaticContact CE2-CG 3.7Å; F464-Y471 HydrophobicContact CE2-CG 3.7Å; F464-Y471 HydrophobicContact CZ-CD1 4.44Å; F464-Y471 HydrophobicContact CZ-CD2 4.27Å; F464-Y471 AromaticContact CZ-CG 3.77Å; F464-Y471 HydrophobicContact CZ-CG 3.77Å; F464-Y471 PolarHBondContact N-O 2.86Å; F464-Y471 PolarHBondContact O-N 3.27Å; F464-Y471 VanDerWaalsContact O-O 3.11Å; F464-A473 HydrophobicContact CD1-CB 4.28Å; F464-A473 HydrophobicContact CE1-CB 3.74Å; F464-I483 HydrophobicContact CE1-CG2 4.49Å; F464-I483 HydrophobicContact CZ-CG2 4.1Å; F464-V509 HydrophobicContact CB-CG2 3.5Å; F464-V509 HydrophobicContact CD2-CG2 4Å; F464-V509 HydrophobicContact CG-CG2 4.1Å; F464-I518 HydrophobicContact CD1-CD1 4.02Å; F464-I518 HydrophobicContact CD2-CD1 4.04Å; F464-I518 HydrophobicContact CE1-CD1 3.76Å; F464-I518 HydrophobicContact CE2-CD1 3.76Å; F464-I518 HydrophobicContact CG-CD1 4.15Å; F464-I518 HydrophobicContact CZ-CD1 3.6Å
465	T	96.1	Very high	96.4	Very high	57 Å²	57	35.9 Å²	35.9	35%	0.35	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.5	-173.7	-53.5	0	0	0	0	110.1	K467 R469 Y470	T465-K467 VanDerWaalsContact CG2-O 3.32Å; T465-K467 WeakPolarHBondContact CG2-O 3.4Å; T465-R469 WeakPolarHBondContact CA-O 3.12Å; T465-R469 WeakPolarHBondContact CG2-O 3.28Å; T465-Y470 HydrophobicContact CG2-CD1 3.79Å; T465-Y470 HydrophobicContact CG2-CE1 3.86Å; T465-Y470 HydrophobicContact CG2-CG 4.46Å; T465-Y470 WeakPolarHBondContact OG1-CD1 3.21Å
466	F	93.4	Very high	96.3	Very high	4 Å²	4	36 Å²	36	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.6	166.5	-71.9	-63.3	0	0	0	108.5	F214 F464 D468 R469 Y471 V509 D516 F517 H532	F214-F466 HydrophobicContact CE1-CD2 4.23Å; F214-F466 AromaticContact CE1-CE2 3.9Å; F214-F466 HydrophobicContact CE1-CE2 3.9Å; F214-F466 HydrophobicContact CZ-CD2 4.47Å; F464-F466 AromaticContact CD2-CD2 3.98Å; F464-F466 HydrophobicContact CD2-CD2 3.98Å; F464-F466 AromaticContact CD2-CE2 3.69Å; F464-F466 HydrophobicContact CD2-CE2 3.69Å; F464-F466 AromaticContact CE2-CD2 3.96Å; F464-F466 HydrophobicContact CE2-CD2 3.96Å; F464-F466 AromaticContact CE2-CE2 3.68Å; F464-F466 HydrophobicContact CE2-CE2 3.68Å; F466-D468 PolarHBondContact O-N 2.6Å; F466-R469 PolarHBondContact N-O 3.03Å; F466-R469 PolarHBondContact O-N 3.37Å; F466-Y471 HydrophobicContact CB-CE2 4.38Å; F466-Y471 HydrophobicContact CD2-CD2 4.43Å; F466-Y471 HydrophobicContact CD2-CE2 4.29Å; F466-V509 HydrophobicContact CD1-CG1 4.33Å; F466-V509 HydrophobicContact CE1-CB 4.47Å; F466-V509 HydrophobicContact CE1-CG1 3.44Å; F466-V509 VanDerWaalsContact CE1-CG1 3.44Å; F466-V509 HydrophobicContact CE1-CG2 4.34Å; F466-V509 HydrophobicContact CE2-CG2 4.39Å; F466-V509 HydrophobicContact CZ-CB 4.34Å; F466-V509 HydrophobicContact CZ-CG1 3.75Å; F466-V509 HydrophobicContact CZ-CG2 3.91Å; F466-D516 HydrophobicContact CD1-CB 3.51Å; F466-D516 VanDerWaalsContact CD1-CG 3.49Å; F466-D516 HydrophobicContact CE1-CB 3.44Å; F466-D516 VanDerWaalsContact CE1-CB 3.44Å; F466-D516 HydrophobicContact CG-CB 4.3Å; F466-D516 HydrophobicContact CZ-CB 4.2Å; F466-F517 WeakPolarHBondContact CZ-O 3.39Å; F466-H532 HydrophobicContact CD2-CB 4.05Å; F466-H532 AromaticContact CD2-CD2 3.87Å; F466-H532 AromaticContact CD2-CG 3.77Å; F466-H532 HydrophobicContact CE2-CB 4.08Å; F466-H532 HydrophobicContact CG-CB 4.44Å; F466-H532 AromaticContact CG-ND1 3.94Å; F466-H532 HydrophobicContact CZ-CB 4.47Å
467	K	87.3	Confident	96.4	Very high	142 Å²	142	31 Å²	31	62%	0.617	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-123.6	-173.9	-56.2	172.6	-177.1	172.1	0	109.7	T465	T465-K467 VanDerWaalsContact CG2-O 3.32Å; T465-K467 WeakPolarHBondContact CG2-O 3.4Å
468	D	86.5	Confident	96.1	Very high	143 Å²	143	38 Å²	38	77%	0.765	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	14.4	179.5	-57	-49.1	0	0	0	113.6	F466	F466-D468 PolarHBondContact O-N 2.6Å
469	R	91.8	Very high	95.9	Very high	74 Å²	74	41.9 Å²	41.9	28%	0.279	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.7	-179.8	-65	-176.4	-177.6	-121.5	3.7	111	T210 T465 F466 Y471 L485	T210-R469 PolarHBondContact O-NH2 2.72Å; T465-R469 WeakPolarHBondContact CA-O 3.12Å; T465-R469 WeakPolarHBondContact CG2-O 3.28Å; F466-R469 PolarHBondContact N-O 3.03Å; F466-R469 PolarHBondContact O-N 3.37Å; R469-Y471 HydrophobicContact CB-CD2 4.42Å; R469-Y471 HydrophobicContact CB-CE2 3.55Å; R469-Y471 VanDerWaalsContact CD-OH 3.27Å; R469-Y471 WeakPolarHBondContact CD-OH 3.37Å; R469-Y471 WeakPolarHBondContact O-CD2 3.42Å; R469-L485 HydrophobicContact CB-CD1 4.29Å
470	Y	96.8	Very high	95.6	Very high	40 Å²	40	44.4 Å²	44.4	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.2	-179.8	-55	-86.4	0	0	0	110.1	R421 I422 K423 T465 W486	R421-Y470 WeakPolarHBondContact O-CE1 3.35Å; I422-Y470 HydrophobicContact CB-CD1 4.43Å; I422-Y470 HydrophobicContact CB-CE1 4.35Å; I422-Y470 HydrophobicContact CD1-CD1 4.4Å; I422-Y470 HydrophobicContact CD1-CG 4.08Å; I422-Y470 HydrophobicContact CG1-CD1 3.78Å; I422-Y470 HydrophobicContact CG1-CD2 4.42Å; I422-Y470 HydrophobicContact CG1-CE1 4.15Å; I422-Y470 HydrophobicContact CG1-CG 3.92Å; I422-Y470 HydrophobicContact CG2-CD1 4.49Å; I422-Y470 HydrophobicContact CG2-CD2 3.92Å; I422-Y470 HydrophobicContact CG2-CE1 4.34Å; I422-Y470 HydrophobicContact CG2-CE2 3.75Å; I422-Y470 HydrophobicContact CG2-CG 4.29Å; K423-Y470 PolarHBondContact N-OH 3.34Å; T465-Y470 HydrophobicContact CG2-CD1 3.79Å; T465-Y470 HydrophobicContact CG2-CE1 3.86Å; T465-Y470 HydrophobicContact CG2-CG 4.46Å; T465-Y470 WeakPolarHBondContact OG1-CD1 3.21Å; Y470-W486 WeakPolarHBondContact O-CB 3.24Å; Y470-W486 PolarHBondContact O-N 2.92Å
471	Y	98.2	Very high	95.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	161.4	-178.9	-59.3	-89.2	0	0	0	111.2	T212 F214 P463 F464 F466 R469 I483 Y484 L485 F496 H532	T212-Y471 WeakPolarHBondContact CB-OH 3.49Å; T212-Y471 PolarHBondContact OG1-OH 3.46Å; F214-Y471 AromaticContact CE2-CD1 3.98Å; F214-Y471 HydrophobicContact CE2-CD1 3.98Å; F214-Y471 AromaticContact CE2-CE1 3.82Å; F214-Y471 HydrophobicContact CE2-CE1 3.82Å; F214-Y471 HydrophobicContact CZ-CD1 4.04Å; F214-Y471 HydrophobicContact CZ-CD2 4.34Å; F214-Y471 AromaticContact CZ-CE1 3.97Å; F214-Y471 HydrophobicContact CZ-CE1 3.97Å; F214-Y471 HydrophobicContact CZ-CE2 4.29Å; F214-Y471 HydrophobicContact CZ-CG 4.23Å; P463-Y471 WeakPolarHBondContact CA-O 3.44Å; F464-Y471 HydrophobicContact CD2-CD2 4.12Å; F464-Y471 HydrophobicContact CD2-CG 4.35Å; F464-Y471 VanDerWaalsContact CE1-CB 3.43Å; F464-Y471 HydrophobicContact CE1-CG 4.45Å; F464-Y471 VanDerWaalsContact CE2-CB 3.47Å; F464-Y471 AromaticContact CE2-CD2 3.71Å; F464-Y471 HydrophobicContact CE2-CD2 3.71Å; F464-Y471 AromaticContact CE2-CG 3.7Å; F464-Y471 HydrophobicContact CE2-CG 3.7Å; F464-Y471 HydrophobicContact CZ-CD1 4.44Å; F464-Y471 HydrophobicContact CZ-CD2 4.27Å; F464-Y471 AromaticContact CZ-CG 3.77Å; F464-Y471 HydrophobicContact CZ-CG 3.77Å; F464-Y471 PolarHBondContact N-O 2.86Å; F464-Y471 PolarHBondContact O-N 3.27Å; F464-Y471 VanDerWaalsContact O-O 3.11Å; F466-Y471 HydrophobicContact CB-CE2 4.38Å; F466-Y471 HydrophobicContact CD2-CD2 4.43Å; F466-Y471 HydrophobicContact CD2-CE2 4.29Å; R469-Y471 HydrophobicContact CB-CD2 4.42Å; R469-Y471 HydrophobicContact CB-CE2 3.55Å; R469-Y471 VanDerWaalsContact CD-OH 3.27Å; R469-Y471 WeakPolarHBondContact CD-OH 3.37Å; R469-Y471 WeakPolarHBondContact O-CD2 3.42Å; Y471-I483 HydrophobicContact CD1-CG2 4.01Å; Y471-Y484 CarbonylContact C-O 3.26Å; Y471-Y484 WeakPolarHBondContact CA-O 3.48Å; Y471-L485 HydrophobicContact CD1-CB 4.4Å; Y471-L485 HydrophobicContact CD1-CD1 3.9Å; Y471-L485 HydrophobicContact CE1-CB 4.48Å; Y471-L485 HydrophobicContact CE1-CD1 3.58Å; Y471-F496 HydrophobicContact CD1-CD1 4.38Å; Y471-F496 HydrophobicContact CE1-CD1 4.11Å; Y471-F496 AromaticContact CE1-CE1 4Å; Y471-F496 HydrophobicContact CE1-CE1 4Å; Y471-F496 HydrophobicContact CE1-CZ 4.37Å; Y471-H532 AromaticContact CE2-NE2 3.82Å; Y471-H532 AromaticContact CZ-NE2 3.6Å; Y471-H532 PolarHBondContact OH-NE2 3.43Å
472	L	98.6	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	117.8	175	-174.5	66.6	0	0	0	108.8	V439 L461 P463 I483 Y484 F493	V439-L472 HydrophobicContact CG2-CD2 3.73Å; L461-L472 HydrophobicContact CD1-CD1 3.77Å; L461-L472 HydrophobicContact CD1-CD2 3.79Å; L461-L472 HydrophobicContact CD1-CG 3.53Å; L461-L472 HydrophobicContact CD2-CD2 4.39Å; L461-L472 HydrophobicContact CG-CD1 3.84Å; L461-L472 HydrophobicContact CG-CD2 4.28Å; L461-L472 HydrophobicContact CG-CG 4.14Å; P463-L472 HydrophobicContact CB-CD1 4.09Å; L472-I483 CarbonylContact O-C 3.59Å; L472-I483 WeakPolarHBondContact O-CA 3.32Å; L472-Y484 PolarHBondContact N-O 3.22Å; L472-Y484 WeakPolarHBondContact O-CD2 3.34Å; L472-Y484 PolarHBondContact O-N 2.94Å; L472-F493 HydrophobicContact CB-CD1 3.64Å; L472-F493 HydrophobicContact CB-CD2 4.26Å; L472-F493 HydrophobicContact CB-CE1 3.69Å; L472-F493 HydrophobicContact CB-CE2 4.3Å; L472-F493 HydrophobicContact CB-CG 3.94Å; L472-F493 HydrophobicContact CB-CZ 4.03Å; L472-F493 HydrophobicContact CD2-CB 4.33Å; L472-F493 HydrophobicContact CD2-CD1 4.49Å; L472-F493 HydrophobicContact CD2-CD2 3.7Å; L472-F493 HydrophobicContact CD2-CE2 4.07Å; L472-F493 HydrophobicContact CD2-CG 3.93Å
473	A	98.6	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.8	177.1	0	0	0	0	0	110.6	L461 Q462 F464 F507	L461-A473 CarbonylContact C-O 3.17Å; L461-A473 WeakPolarHBondContact CA-O 3.5Å; Q462-A473 PolarHBondContact N-O 2.82Å; Q462-A473 PolarHBondContact O-N 3.38Å; F464-A473 HydrophobicContact CD1-CB 4.28Å; F464-A473 HydrophobicContact CE1-CB 3.74Å; A473-F507 HydrophobicContact CB-CB 4.34Å; A473-F507 HydrophobicContact CB-CD1 4.02Å; A473-F507 HydrophobicContact CB-CD2 3.62Å; A473-F507 HydrophobicContact CB-CE1 4.19Å; A473-F507 HydrophobicContact CB-CE2 3.82Å; A473-F507 HydrophobicContact CB-CG 3.73Å; A473-F507 HydrophobicContact CB-CZ 4.1Å
474	L	98.6	Very high	95.4	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.7	170.8	179.6	71.1	0	0	0	109.3	V453 P454 S458 L461 S481 Q482 Y484	V453-L474 HydrophobicContact CG1-CD2 3.89Å; P454-L474 WeakPolarHBondContact O-CD2 3.46Å; S458-L474 WeakPolarHBondContact OG-CD1 3.35Å; L461-L474 HydrophobicContact CB-CD1 4.31Å; L461-L474 HydrophobicContact CD1-CB 3.76Å; L461-L474 HydrophobicContact CD1-CD1 3.79Å; L461-L474 HydrophobicContact CD1-CG 4.36Å; L474-S481 WeakPolarHBondContact O-CA 3.5Å; L474-S481 WeakPolarHBondContact O-CB 3.42Å; L474-Q482 PolarHBondContact N-O 2.93Å; L474-Q482 PolarHBondContact O-N 3.34Å; L474-Y484 HydrophobicContact CB-CE2 3.94Å; L474-Y484 HydrophobicContact CD2-CE2 4.38Å
475	G	98.2	Very high	95.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.			trans	-72.3	147.4	172.6	0	0	0	0	0	112	S458 I460	S458-G475 WeakPolarHBondContact CA-O 3.32Å; S458-G475 WeakPolarHBondContact CB-O 3.38Å; S458-G475 PolarHBondContact OG-O 3.19Å; I460-G475 PolarHBondContact O-N 2.92Å
476	S	97.4	Very high	95.4	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	20%	0.199	C	C	.	.			trans	-142.3	130.8	175.2	-179.7	0	0	0	0	112.2	R456 Y478 T479 S481 P504	R456-S476 PolarHBondContact O-OG 3.03Å; S476-Y478 PolarHBondContact OG-N 3.17Å; S476-T479 WeakPolarHBondContact CB-O 3.19Å; S476-T479 PolarHBondContact OG-N 2.8Å; S476-T479 PolarHBondContact OG-O 3.46Å; S476-T479 PolarHBondContact OG-OG1 3.18Å; S476-S481 PolarHBondContact N-OG 3.24Å; S476-P504 WeakPolarHBondContact O-CD 3.47Å
477	D	97.1	Very high	95.3	Very high	47 Å²	47	44.3 Å²	44.3	25%	0.251	21%	0.207	S	C	.	.	S	Bend	trans	-83.7	-18.6	173.8	-75.1	23.5	0	0	0	112.6	R456 G457 A503 R505	R456-D477 PolarHBondContact O-N 2.88Å; G457-D477 WeakPolarHBondContact O-CB 3.44Å; G457-D477 PolarHBondContact O-N 2.88Å; D477-A503 VanDerWaalsContact OD1-CA 3.23Å; D477-A503 WeakPolarHBondContact OD1-CA 3.4Å; D477-R505 IonicContact OD1-CZ 3.97Å; D477-R505 IonicContact OD1-NH1 2.88Å; D477-R505 PolarHBondContact OD1-NH1 2.72Å; D477-R505 IonicContact OD1-NH2 3.04Å; D477-R505 IonicContact OD2-CZ 2.73Å; D477-R505 IonicContact OD2-NH1 3.75Å; D477-R505 PolarHBondContact OD2-NH1 2.79Å; D477-R505 IonicContact OD2-NH2 3.83Å; D477-R505 PolarHBondContact OD2-NH2 3.15Å
478	Y	92.8	Very high	95.3	Very high	148 Å²	148	41.1 Å²	41.1	58%	0.58	20%	0.197	S	C	*	.	S	Bend	trans	-110.1	-19.4	-173.5	-56.8	-31.8	0	0	0	114.5	Y433 R456 S476	Y433-Y478 HydrophobicContact CE1-CE2 4.42Å; Y433-Y478 PolarHBondContact OH-OH 3.5Å; R456-Y478 VanDerWaalsContact C-CD2 3.47Å; R456-Y478 HydrophobicContact CB-CD2 4.42Å; R456-Y478 PolarHBondContact O-N 2.75Å; S476-Y478 PolarHBondContact OG-N 3.17Å
479	T	93.2	Very high	95.3	Very high	82 Å²	82	42.6 Å²	42.6	50%	0.503	20%	0.199	S	C	.	.	S	Bend	trans	-138.6	-177	-178.1	57.4	0	0	0	0	110.1	R456 S476	R456-T479 HydrophobicContact CB-CG2 4.35Å; R456-T479 HydrophobicContact CG-CG2 4.43Å; S476-T479 WeakPolarHBondContact CB-O 3.19Å; S476-T479 PolarHBondContact OG-N 2.8Å; S476-T479 PolarHBondContact OG-O 3.46Å; S476-T479 PolarHBondContact OG-OG1 3.18Å
480	F	91.8	Very high	95.1	Very high	109 Å²	109	44.6 Å²	44.6	48%	0.478	21%	0.21	S	C	.	.			trans	-61.9	146.9	170.5	-62.5	-68.5	0	0	0	110.9	E498 Y500	F480-E498 HydrophobicContact CB-CB 4.15Å; F480-Y500 AromaticContact CD1-CD2 3.65Å; F480-Y500 HydrophobicContact CD1-CD2 3.65Å; F480-Y500 HydrophobicContact CD1-CG 4.16Å; F480-Y500 AromaticContact CE1-CD2 3.48Å; F480-Y500 HydrophobicContact CE1-CD2 3.48Å; F480-Y500 VanDerWaalsContact CE1-CD2 3.48Å; F480-Y500 HydrophobicContact CE1-CE2 4.44Å; F480-Y500 AromaticContact CE1-CG 3.98Å; F480-Y500 HydrophobicContact CE1-CG 3.98Å
481	S	96.8	Very high	94.9	Very high	1 Å²	1	47 Å²	47	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.1	170.3	-62.2	0	0	0	0	108.7	L474 S476 E498 V499 P504	L474-S481 WeakPolarHBondContact O-CA 3.5Å; L474-S481 WeakPolarHBondContact O-CB 3.42Å; S476-S481 PolarHBondContact N-OG 3.24Å; S481-E498 WeakPolarHBondContact O-CA 3.23Å; S481-V499 PolarHBondContact N-O 3.19Å; S481-V499 PolarHBondContact O-N 3.25Å; S481-P504 WeakPolarHBondContact OG-CG 3.31Å
482	Q	97.6	Very high	94.8	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.6	-173.6	-177.9	72	66.8	0	0	109.6	L474 Y484 R495 K497	L474-Q482 PolarHBondContact N-O 2.93Å; L474-Q482 PolarHBondContact O-N 3.34Å; Q482-Y484 HydrophobicContact CB-CD2 4.39Å; Q482-Y484 HydrophobicContact CB-CE2 3.67Å; Q482-Y484 HydrophobicContact CG-CD1 4.38Å; Q482-Y484 HydrophobicContact CG-CD2 3.79Å; Q482-Y484 HydrophobicContact CG-CE1 3.92Å; Q482-Y484 HydrophobicContact CG-CE2 3.24Å; Q482-Y484 HydrophobicContact CG-CG 4.3Å; Q482-Y484 WeakPolarHBondContact CG-OH 3.27Å; Q482-R495 HydrophobicContact CG-CG 4.35Å; Q482-K497 PolarHBondContact NE2-O 2.82Å
483	I	97.9	Very high	94.8	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.2	165.8	-55.9	176.9	0	0	0	107.3	F214 F464 Y471 L472 F496 K497 V499	F214-I483 HydrophobicContact CB-CD1 4.33Å; F214-I483 HydrophobicContact CD2-CD1 3.56Å; F214-I483 HydrophobicContact CD2-CG2 4.42Å; F214-I483 HydrophobicContact CE2-CD1 3.98Å; F214-I483 HydrophobicContact CE2-CG2 3.9Å; F214-I483 HydrophobicContact CG-CD1 3.9Å; F464-I483 HydrophobicContact CE1-CG2 4.49Å; F464-I483 HydrophobicContact CZ-CG2 4.1Å; Y471-I483 HydrophobicContact CD1-CG2 4.01Å; L472-I483 CarbonylContact O-C 3.59Å; L472-I483 WeakPolarHBondContact O-CA 3.32Å; I483-F496 HydrophobicContact CG2-CD1 4.03Å; I483-F496 WeakPolarHBondContact O-CA 3.4Å; I483-F496 WeakPolarHBondContact O-CB 3.32Å; I483-F496 PolarHBondContact O-N 3.24Å; I483-K497 HydrophobicContact CB-CB 4.44Å; I483-K497 PolarHBondContact N-O 3.2Å; I483-K497 PolarHBondContact O-N 3.37Å; I483-V499 HydrophobicContact CD1-CG1 4.01Å; I483-V499 HydrophobicContact CD1-CG2 4.15Å; I483-V499 HydrophobicContact CG1-CG2 4.2Å
484	Y	98.1	Very high	94.5	Very high	13 Å²	13	52.1 Å²	52.1	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.1	172.9	-55.9	-104.7	0	0	0	110.2	V453 Y471 L472 L474 Q482 F493 D494 R495	V453-Y484 HydrophobicContact CG1-CE1 3.96Å; V453-Y484 HydrophobicContact CG1-CE2 3.7Å; V453-Y484 WeakPolarHBondContact CG1-OH 3.49Å; Y471-Y484 CarbonylContact C-O 3.26Å; Y471-Y484 WeakPolarHBondContact CA-O 3.48Å; L472-Y484 PolarHBondContact N-O 3.22Å; L472-Y484 WeakPolarHBondContact O-CD2 3.34Å; L472-Y484 PolarHBondContact O-N 2.94Å; L474-Y484 HydrophobicContact CB-CE2 3.94Å; L474-Y484 HydrophobicContact CD2-CE2 4.38Å; Q482-Y484 HydrophobicContact CB-CD2 4.39Å; Q482-Y484 HydrophobicContact CB-CE2 3.67Å; Q482-Y484 HydrophobicContact CG-CD1 4.38Å; Q482-Y484 HydrophobicContact CG-CD2 3.79Å; Q482-Y484 HydrophobicContact CG-CE1 3.92Å; Q482-Y484 HydrophobicContact CG-CE2 3.24Å; Q482-Y484 HydrophobicContact CG-CG 4.3Å; Q482-Y484 WeakPolarHBondContact CG-OH 3.27Å; Y484-F493 HydrophobicContact CD1-CB 4.48Å; Y484-F493 HydrophobicContact CG-CB 4.32Å; Y484-D494 CarbonylContact C-O 3.59Å; Y484-D494 WeakPolarHBondContact CA-O 3.32Å; Y484-D494 VanDerWaalsContact CB-O 3.29Å; Y484-D494 WeakPolarHBondContact CB-O 3.26Å; Y484-R495 HydrophobicContact CD1-CB 4.47Å; Y484-R495 HydrophobicContact CD1-CG 3.95Å; Y484-R495 HydrophobicContact CE1-CG 3.55Å
485	L	96.4	Very high	94.3	Very high	41 Å²	41	60.1 Å²	60.1	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.3	176.5	176.5	67.6	0	0	0	108.8	R469 Y471 D487 F493 D494 F496	R469-L485 HydrophobicContact CB-CD1 4.29Å; Y471-L485 HydrophobicContact CD1-CB 4.4Å; Y471-L485 HydrophobicContact CD1-CD1 3.9Å; Y471-L485 HydrophobicContact CE1-CB 4.48Å; Y471-L485 HydrophobicContact CE1-CD1 3.58Å; L485-D487 PolarHBondContact O-N 2.96Å; L485-F493 CarbonylContact O-C 3.46Å; L485-F493 WeakPolarHBondContact O-CA 3.4Å; L485-D494 PolarHBondContact N-O 2.86Å; L485-D494 PolarHBondContact O-N 3.45Å; L485-F496 HydrophobicContact CB-CB 3.76Å; L485-F496 HydrophobicContact CB-CD2 3.9Å; L485-F496 HydrophobicContact CB-CG 3.94Å; L485-F496 HydrophobicContact CD2-CD2 3.9Å; L485-F496 HydrophobicContact CD2-CE2 4.17Å
486	W	96.1	Very high	94	Very high	17 Å²	17	62.7 Å²	62.7	6%	0.064	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.5	177.9	-178	-104.3	0	0	0	112	I422 Y427 I450 Y470 K491 F493	I422-W486 HydrophobicContact CD1-CB 4.37Å; I422-W486 HydrophobicContact CD1-CD2 3.29Å; I422-W486 VanDerWaalsContact CD1-CE2 3.5Å; I422-W486 HydrophobicContact CD1-CE3 3.52Å; I422-W486 HydrophobicContact CD1-CG 3.71Å; I422-W486 HydrophobicContact CD1-CH2 4.03Å; I422-W486 HydrophobicContact CD1-CZ2 3.85Å; I422-W486 HydrophobicContact CD1-CZ3 3.89Å; Y427-W486 HydrophobicContact CE1-CH2 4.1Å; I450-W486 HydrophobicContact CD1-CH2 4.07Å; I450-W486 HydrophobicContact CD1-CZ3 4.08Å; Y470-W486 WeakPolarHBondContact O-CB 3.24Å; Y470-W486 PolarHBondContact O-N 2.92Å; W486-K491 HydrophobicContact CH2-CB 4.12Å; W486-K491 WeakPolarHBondContact CH2-O 3.29Å; W486-K491 VanDerWaalsContact CZ2-CA 3.49Å; W486-K491 HydrophobicContact CZ2-CB 3.89Å; W486-K491 HydrophobicContact CZ2-CD 3.88Å; W486-F493 HydrophobicContact CB-CD1 4.09Å; W486-F493 HydrophobicContact CB-CE1 3.84Å; W486-F493 HydrophobicContact CB-CZ 4.44Å; W486-F493 HydrophobicContact CE3-CD1 4.21Å; W486-F493 AromaticContact CE3-CD2 3.66Å; W486-F493 HydrophobicContact CE3-CD2 3.66Å; W486-F493 HydrophobicContact CE3-CE1 4.07Å; W486-F493 AromaticContact CE3-CE2 3.51Å; W486-F493 HydrophobicContact CE3-CE2 3.51Å; W486-F493 HydrophobicContact CE3-CG 4.01Å; W486-F493 AromaticContact CE3-CZ 3.73Å; W486-F493 HydrophobicContact CE3-CZ 3.73Å; W486-F493 AromaticContact CZ3-CD2 3.93Å; W486-F493 HydrophobicContact CZ3-CD2 3.93Å; W486-F493 AromaticContact CZ3-CE2 3.78Å; W486-F493 HydrophobicContact CZ3-CE2 3.78Å; W486-F493 HydrophobicContact CZ3-CZ 4.39Å
487	D	91.9	Very high	93.7	Very high	34 Å²	34	64.9 Å²	64.9	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.6	171	-175.7	-47.5	0	0	0	109.2	L485 E489 K490 K491 I492	L485-D487 PolarHBondContact O-N 2.96Å; D487-E489 VanDerWaalsContact C-N 3.28Å; D487-E489 PolarHBondContact O-N 2.77Å; D487-E489 WeakPolarHBondContact OD1-CA 3.49Å; D487-E489 WeakPolarHBondContact OD1-CB 3.26Å; D487-E489 PolarHBondContact OD1-N 2.91Å; D487-K490 HydrophobicContact CB-CB 4.18Å; D487-K490 HydrophobicContact CB-CG 4.49Å; D487-K490 PolarHBondContact OD1-N 3.24Å; D487-K490 IonicContact OD2-NZ 3.31Å; D487-K490 PolarHBondContact OD2-NZ 3.04Å; D487-K491 VanDerWaalsContact O-CA 3.31Å; D487-K491 WeakPolarHBondContact O-CA 3.45Å; D487-K491 PolarHBondContact O-N 3.49Å; D487-I492 PolarHBondContact N-O 2.89Å
488	D	87	Confident	93.5	Very high	75 Å²	75	68.1 Å²	68.1	40%	0.401	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.8	-177.8	-108.9	-54.6	0	0	0	113.7	K423 K491	K423-D488 IonicContact NZ-OD1 3.14Å; K423-D488 PolarHBondContact NZ-OD1 3.31Å; K423-D488 IonicContact NZ-OD2 3.58Å; D488-K491 WeakPolarHBondContact O-CD 3.28Å; D488-K491 WeakPolarHBondContact O-CE 3.22Å; D488-K491 PolarHBondContact O-NZ 2.95Å; D488-K491 IonicContact OD1-NZ 2.64Å; D488-K491 PolarHBondContact OD1-NZ 3.26Å; D488-K491 VanDerWaalsContact OD1-NZ 3.11Å
489	E	86.1	Confident	93.4	Very high	174 Å²	174	61.5 Å²	61.5	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-49.4	177.7	-60.8	-173.7	172.5	0	0	110.6	D487	D487-E489 VanDerWaalsContact C-N 3.28Å; D487-E489 PolarHBondContact O-N 2.77Å; D487-E489 WeakPolarHBondContact OD1-CA 3.49Å; D487-E489 WeakPolarHBondContact OD1-CB 3.26Å; D487-E489 PolarHBondContact OD1-N 2.91Å
490	K	87.8	Confident	93.4	Very high	116 Å²	116	63.9 Å²	63.9	50%	0.504	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.3	-177.8	-57.5	-170	-162.4	92.7	0	113.5	D487 I492 D494	D487-K490 HydrophobicContact CB-CB 4.18Å; D487-K490 HydrophobicContact CB-CG 4.49Å; D487-K490 PolarHBondContact OD1-N 3.24Å; D487-K490 IonicContact OD2-NZ 3.31Å; D487-K490 PolarHBondContact OD2-NZ 3.04Å; K490-I492 VanDerWaalsContact C-N 3.29Å; K490-I492 HydrophobicContact CB-CD1 4.12Å; K490-I492 HydrophobicContact CB-CG1 3.69Å; K490-I492 HydrophobicContact CD-CD1 4.07Å; K490-I492 HydrophobicContact CD-CG1 4.33Å; K490-I492 PolarHBondContact O-N 3Å; K490-D494 IonicContact NZ-OD2 2.72Å; K490-D494 PolarHBondContact NZ-OD2 3.1Å
491	K	93.4	Very high	93.5	Very high	90 Å²	90	58.8 Å²	58.8	39%	0.391	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	40.3	-174.3	-54.6	-58.5	-173.4	-160.8	0	113.1	W486 D487 D488	W486-K491 HydrophobicContact CH2-CB 4.12Å; W486-K491 WeakPolarHBondContact CH2-O 3.29Å; W486-K491 VanDerWaalsContact CZ2-CA 3.49Å; W486-K491 HydrophobicContact CZ2-CB 3.89Å; W486-K491 HydrophobicContact CZ2-CD 3.88Å; D487-K491 VanDerWaalsContact O-CA 3.31Å; D487-K491 WeakPolarHBondContact O-CA 3.45Å; D487-K491 PolarHBondContact O-N 3.49Å; D488-K491 WeakPolarHBondContact O-CD 3.28Å; D488-K491 WeakPolarHBondContact O-CE 3.22Å; D488-K491 PolarHBondContact O-NZ 2.95Å; D488-K491 IonicContact OD1-NZ 2.64Å; D488-K491 PolarHBondContact OD1-NZ 3.26Å; D488-K491 VanDerWaalsContact OD1-NZ 3.11Å
492	I	96.3	Very high	93.5	Very high	47 Å²	47	62.8 Å²	62.8	24%	0.241	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.2	176	63.3	176.2	0	0	0	109.8	D487 K490	D487-I492 PolarHBondContact N-O 2.89Å; K490-I492 VanDerWaalsContact C-N 3.29Å; K490-I492 HydrophobicContact CB-CD1 4.12Å; K490-I492 HydrophobicContact CB-CG1 3.69Å; K490-I492 HydrophobicContact CD-CD1 4.07Å; K490-I492 HydrophobicContact CD-CG1 4.33Å; K490-I492 PolarHBondContact O-N 3Å
493	F	97.6	Very high	93.4	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.9	174.7	-75.5	-82.1	0	0	0	111.9	F420 I422 V439 Q451 L472 Y484 L485 W486	F420-F493 AromaticContact CE2-CE2 3.87Å; F420-F493 HydrophobicContact CE2-CE2 3.87Å; F420-F493 AromaticContact CE2-CZ 3.83Å; F420-F493 HydrophobicContact CE2-CZ 3.83Å; F420-F493 AromaticContact CZ-CE2 3.73Å; F420-F493 HydrophobicContact CZ-CE2 3.73Å; F420-F493 HydrophobicContact CZ-CZ 4.1Å; I422-F493 HydrophobicContact CD1-CZ 4.17Å; V439-F493 HydrophobicContact CG1-CE2 4.48Å; V439-F493 HydrophobicContact CG2-CD2 4.37Å; Q451-F493 PolarHBondContact NE2-O 3.32Å; L472-F493 HydrophobicContact CB-CD1 3.64Å; L472-F493 HydrophobicContact CB-CD2 4.26Å; L472-F493 HydrophobicContact CB-CE1 3.69Å; L472-F493 HydrophobicContact CB-CE2 4.3Å; L472-F493 HydrophobicContact CB-CG 3.94Å; L472-F493 HydrophobicContact CB-CZ 4.03Å; L472-F493 HydrophobicContact CD2-CB 4.33Å; L472-F493 HydrophobicContact CD2-CD1 4.49Å; L472-F493 HydrophobicContact CD2-CD2 3.7Å; L472-F493 HydrophobicContact CD2-CE2 4.07Å; L472-F493 HydrophobicContact CD2-CG 3.93Å; Y484-F493 HydrophobicContact CD1-CB 4.48Å; Y484-F493 HydrophobicContact CG-CB 4.32Å; L485-F493 CarbonylContact O-C 3.46Å; L485-F493 WeakPolarHBondContact O-CA 3.4Å; W486-F493 HydrophobicContact CB-CD1 4.09Å; W486-F493 HydrophobicContact CB-CE1 3.84Å; W486-F493 HydrophobicContact CB-CZ 4.44Å; W486-F493 HydrophobicContact CE3-CD1 4.21Å; W486-F493 AromaticContact CE3-CD2 3.66Å; W486-F493 HydrophobicContact CE3-CD2 3.66Å; W486-F493 HydrophobicContact CE3-CE1 4.07Å; W486-F493 AromaticContact CE3-CE2 3.51Å; W486-F493 HydrophobicContact CE3-CE2 3.51Å; W486-F493 HydrophobicContact CE3-CG 4.01Å; W486-F493 AromaticContact CE3-CZ 3.73Å; W486-F493 HydrophobicContact CE3-CZ 3.73Å; W486-F493 AromaticContact CZ3-CD2 3.93Å; W486-F493 HydrophobicContact CZ3-CD2 3.93Å; W486-F493 AromaticContact CZ3-CE2 3.78Å; W486-F493 HydrophobicContact CZ3-CE2 3.78Å; W486-F493 HydrophobicContact CZ3-CZ 4.39Å
494	D	93.4	Very high	93.5	Very high	60 Å²	60	62.1 Å²	62.1	32%	0.321	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	149	174.7	-79.3	-29.5	0	0	0	111.2	Y484 L485 K490 F496	Y484-D494 CarbonylContact C-O 3.59Å; Y484-D494 WeakPolarHBondContact CA-O 3.32Å; Y484-D494 VanDerWaalsContact CB-O 3.29Å; Y484-D494 WeakPolarHBondContact CB-O 3.26Å; L485-D494 PolarHBondContact N-O 2.86Å; L485-D494 PolarHBondContact O-N 3.45Å; K490-D494 IonicContact NZ-OD2 2.72Å; K490-D494 PolarHBondContact NZ-OD2 3.1Å; D494-F496 PolarHBondContact O-N 3.07Å
495	R	93.7	Very high	93.4	Very high	177 Å²	177	63.6 Å²	63.6	67%	0.668	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.6	179.2	-71.2	-174.7	-176.8	-179.1	1.4	109.8	Q482 Y484	Q482-R495 HydrophobicContact CG-CG 4.35Å; Y484-R495 HydrophobicContact CD1-CB 4.47Å; Y484-R495 HydrophobicContact CD1-CG 3.95Å; Y484-R495 HydrophobicContact CE1-CG 3.55Å
496	F	92.6	Very high	93.5	Very high	54 Å²	54	62.5 Å²	62.5	24%	0.237	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-56.3	-175.8	177.5	-106.7	0	0	0	112.2	T212 F214 Y471 I483 L485 D494	T212-F496 VanDerWaalsContact O-CZ 3.3Å; T212-F496 WeakPolarHBondContact O-CZ 3.48Å; T212-F496 WeakPolarHBondContact OG1-CZ 3.23Å; F214-F496 HydrophobicContact CD2-CD1 4.44Å; F214-F496 AromaticContact CD2-CE1 3.94Å; F214-F496 HydrophobicContact CD2-CE1 3.94Å; F214-F496 HydrophobicContact CE2-CD1 4.14Å; F214-F496 AromaticContact CE2-CE1 3.74Å; F214-F496 HydrophobicContact CE2-CE1 3.74Å; Y471-F496 HydrophobicContact CD1-CD1 4.38Å; Y471-F496 HydrophobicContact CE1-CD1 4.11Å; Y471-F496 AromaticContact CE1-CE1 4Å; Y471-F496 HydrophobicContact CE1-CE1 4Å; Y471-F496 HydrophobicContact CE1-CZ 4.37Å; I483-F496 HydrophobicContact CG2-CD1 4.03Å; I483-F496 WeakPolarHBondContact O-CA 3.4Å; I483-F496 WeakPolarHBondContact O-CB 3.32Å; I483-F496 PolarHBondContact O-N 3.24Å; L485-F496 HydrophobicContact CB-CB 3.76Å; L485-F496 HydrophobicContact CB-CD2 3.9Å; L485-F496 HydrophobicContact CB-CG 3.94Å; L485-F496 HydrophobicContact CD2-CD2 3.9Å; L485-F496 HydrophobicContact CD2-CE2 4.17Å; D494-F496 PolarHBondContact O-N 3.07Å
497	K	89.6	Confident	93.6	Very high	53 Å²	53	62.1 Å²	62.1	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145	-177.7	-179.5	162.8	-172.4	170.2	0	112	D213 F214 Q482 I483 V499	D213-K497 WeakPolarHBondContact OD1-CD 3.28Å; D213-K497 WeakPolarHBondContact OD1-CE 3.18Å; D213-K497 IonicContact OD1-NZ 3.97Å; D213-K497 PolarHBondContact OD1-NZ 2.81Å; D213-K497 IonicContact OD2-NZ 2.75Å; D213-K497 PolarHBondContact OD2-NZ 2.97Å; F214-K497 HydrophobicContact CB-CD 4.46Å; F214-K497 PolarHBondContact O-NZ 3.37Å; Q482-K497 PolarHBondContact NE2-O 2.82Å; I483-K497 HydrophobicContact CB-CB 4.44Å; I483-K497 PolarHBondContact N-O 3.2Å; I483-K497 PolarHBondContact O-N 3.37Å; K497-V499 HydrophobicContact CD-CG1 4.4Å; K497-V499 HydrophobicContact CG-CG1 4.23Å
498	E	92.8	Very high	94	Very high	114 Å²	114	61.4 Å²	61.4	53%	0.533	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.2	167.5	-67.4	179.9	157.8	0	0	110	F480 S481	F480-E498 HydrophobicContact CB-CB 4.15Å; S481-E498 WeakPolarHBondContact O-CA 3.23Å
499	V	91.8	Very high	94.5	Very high	9 Å²	9	60 Å²	60	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139	176.3	-68.7	0	0	0	0	110	S481 I483 K497 I501 F530	S481-V499 PolarHBondContact N-O 3.19Å; S481-V499 PolarHBondContact O-N 3.25Å; I483-V499 HydrophobicContact CD1-CG1 4.01Å; I483-V499 HydrophobicContact CD1-CG2 4.15Å; I483-V499 HydrophobicContact CG1-CG2 4.2Å; K497-V499 HydrophobicContact CD-CG1 4.4Å; K497-V499 HydrophobicContact CG-CG1 4.23Å; V499-I501 HydrophobicContact CB-CD1 4.37Å; V499-I501 HydrophobicContact CG2-CD1 3.71Å; V499-F530 HydrophobicContact CB-CE1 4.47Å; V499-F530 HydrophobicContact CB-CZ 4.26Å; V499-F530 HydrophobicContact CG1-CE1 4.26Å; V499-F530 HydrophobicContact CG1-CZ 4.48Å
500	Y	92.7	Very high	95	Very high	132 Å²	132	51.7 Å²	51.7	52%	0.518	23%	0.234	S	C	.	.			trans	-94.2	106.5	178.9	-179.2	-103.9	0	0	0	110.9	F480 Q502 Q528	F480-Y500 AromaticContact CD1-CD2 3.65Å; F480-Y500 HydrophobicContact CD1-CD2 3.65Å; F480-Y500 HydrophobicContact CD1-CG 4.16Å; F480-Y500 AromaticContact CE1-CD2 3.48Å; F480-Y500 HydrophobicContact CE1-CD2 3.48Å; F480-Y500 VanDerWaalsContact CE1-CD2 3.48Å; F480-Y500 HydrophobicContact CE1-CE2 4.44Å; F480-Y500 AromaticContact CE1-CG 3.98Å; F480-Y500 HydrophobicContact CE1-CG 3.98Å; Y500-Q502 HydrophobicContact CE1-CG 3.98Å; Y500-Q502 WeakPolarHBondContact OH-CG 3.42Å; Y500-Q502 PolarHBondContact OH-NE2 2.95Å; Y500-Q502 VanDerWaalsContact OH-NE2 3.12Å; Y500-Q528 PolarHBondContact O-NE2 3.42Å; Y500-Q528 PolarHBondContact O-OE1 2.04Å; Y500-Q528 VanDerWaalsContact O-OE1 3.09Å
501	I	94.3	Very high	95.4	Very high	3 Å²	3	49 Å²	49	2%	0.015	23%	0.23	C	C	.	.			trans	-127.8	134.8	172	-59.1	135.2	0	0	0	107.4	V499 A503 P504 F507 S520 F530	V499-I501 HydrophobicContact CB-CD1 4.37Å; V499-I501 HydrophobicContact CG2-CD1 3.71Å; I501-A503 PolarHBondContact O-N 3.48Å; I501-P504 HydrophobicContact CB-CB 4.39Å; I501-P504 HydrophobicContact CG2-CB 3.92Å; I501-F507 HydrophobicContact CD1-CE1 3.66Å; I501-F507 HydrophobicContact CD1-CZ 3.96Å; I501-S520 WeakPolarHBondContact CD1-OG 3.49Å; I501-S520 WeakPolarHBondContact CG2-OG 3.41Å; I501-F530 HydrophobicContact CD1-CE2 4.04Å; I501-F530 HydrophobicContact CD1-CZ 4.33Å; I501-F530 HydrophobicContact CG1-CE2 4.07Å; I501-F530 HydrophobicContact CG1-CZ 4.14Å
502	Q	95.7	Very high	95.3	Very high	85 Å²	85	45.7 Å²	45.7	40%	0.397	22%	0.217	S	C	.	.	S	Bend	trans	-80.5	115.7	177.3	-66.5	-177.7	8.8	0	0	110.2	Y500 S522 K524	Y500-Q502 HydrophobicContact CE1-CG 3.98Å; Y500-Q502 WeakPolarHBondContact OH-CG 3.42Å; Y500-Q502 PolarHBondContact OH-NE2 2.95Å; Y500-Q502 VanDerWaalsContact OH-NE2 3.12Å; Q502-S522 WeakPolarHBondContact O-CB 3.3Å; Q502-S522 PolarHBondContact O-OG 2.95Å; Q502-K524 PolarHBondContact OE1-O 3.26Å
503	A	97.3	Very high	94.7	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	24%	0.243	C	C	.	.	S	Bend	trans	48.9	63.3	175.6	0	0	0	0	0	114	D477 I501 R505 F523 K524	D477-A503 VanDerWaalsContact OD1-CA 3.23Å; D477-A503 WeakPolarHBondContact OD1-CA 3.4Å; I501-A503 PolarHBondContact O-N 3.48Å; A503-R505 PolarHBondContact O-NH1 3.31Å; A503-F523 HydrophobicContact CB-CB 4.07Å; A503-F523 WeakPolarHBondContact O-CB 3.39Å; A503-F523 PolarHBondContact O-N 3.02Å; A503-K524 HydrophobicContact CB-CB 4.37Å; A503-K524 HydrophobicContact CB-CG 4.35Å
504	P	98.1	Very high	94.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144	-177.5	30.2	-38.1	0	0	0	112.1	S476 S481 I501 F507 S521	S476-P504 WeakPolarHBondContact O-CD 3.47Å; S481-P504 WeakPolarHBondContact OG-CG 3.31Å; I501-P504 HydrophobicContact CB-CB 4.39Å; I501-P504 HydrophobicContact CG2-CB 3.92Å; P504-F507 HydrophobicContact CB-CE2 4.26Å; P504-F507 HydrophobicContact CB-CZ 4.08Å; P504-S521 VanDerWaalsContact CA-O 3.31Å; P504-S521 WeakPolarHBondContact CA-O 3.32Å
505	R	98.1	Very high	94.2	Very high	44 Å²	44	61.3 Å²	61.3	17%	0.166	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-25.6	-178.8	-64	-68.3	173.2	-97.1	7.5	114.2	L225 D477 A503 S521 F523	L225-R505 HydrophobicContact CD2-CG 4.01Å; L225-R505 WeakPolarHBondContact O-CB 3.29Å; D477-R505 IonicContact OD1-CZ 3.97Å; D477-R505 IonicContact OD1-NH1 2.88Å; D477-R505 PolarHBondContact OD1-NH1 2.72Å; D477-R505 IonicContact OD1-NH2 3.04Å; D477-R505 IonicContact OD2-CZ 2.73Å; D477-R505 IonicContact OD2-NH1 3.75Å; D477-R505 PolarHBondContact OD2-NH1 2.79Å; D477-R505 IonicContact OD2-NH2 3.83Å; D477-R505 PolarHBondContact OD2-NH2 3.15Å; A503-R505 PolarHBondContact O-NH1 3.31Å; R505-S521 WeakPolarHBondContact CB-OG 3.33Å; R505-S521 PolarHBondContact N-O 2.7Å; R505-F523 HydrophobicContact CG-CB 3.82Å
506	S	98.1	Very high	94.3	Very high	17 Å²	17	54.1 Å²	54.1	12%	0.119	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.2	176.8	68	0	0	0	0	109.9	V227 S520 S521	V227-S506 PolarHBondContact N-OG 2.68Å; S506-S520 WeakPolarHBondContact O-CA 3.26Å; S506-S521 PolarHBondContact N-OG 3.26Å; S506-S521 PolarHBondContact O-N 2.85Å; S506-S521 VanDerWaalsContact O-N 3.13Å; S506-S521 WeakPolarHBondContact OG-CB 3.23Å; S506-S521 PolarHBondContact OG-OG 3.2Å
507	F	98.5	Very high	94.6	Very high	10 Å²	10	51.5 Å²	51.5	4%	0.044	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.1	166.9	-67.7	-85.7	0	0	0	107.6	I460 Q462 A473 I501 P504 I518 F519 S520	I460-F507 HydrophobicContact CG2-CD2 3.74Å; I460-F507 HydrophobicContact CG2-CE2 3.68Å; Q462-F507 HydrophobicContact CB-CB 3.91Å; Q462-F507 HydrophobicContact CB-CD2 4.19Å; Q462-F507 HydrophobicContact CG-CB 3.95Å; Q462-F507 WeakPolarHBondContact CG-O 3.49Å; A473-F507 HydrophobicContact CB-CB 4.34Å; A473-F507 HydrophobicContact CB-CD1 4.02Å; A473-F507 HydrophobicContact CB-CD2 3.62Å; A473-F507 HydrophobicContact CB-CE1 4.19Å; A473-F507 HydrophobicContact CB-CE2 3.82Å; A473-F507 HydrophobicContact CB-CG 3.73Å; A473-F507 HydrophobicContact CB-CZ 4.1Å; I501-F507 HydrophobicContact CD1-CE1 3.66Å; I501-F507 HydrophobicContact CD1-CZ 3.96Å; P504-F507 HydrophobicContact CB-CE2 4.26Å; P504-F507 HydrophobicContact CB-CZ 4.08Å; F507-I518 HydrophobicContact CB-CD1 4.07Å; F507-I518 HydrophobicContact CB-CG1 4.3Å; F507-I518 HydrophobicContact CD1-CD1 4.09Å; F507-I518 HydrophobicContact CD1-CG1 4.37Å; F507-I518 HydrophobicContact CG-CD1 4.48Å; F507-F519 CarbonylContact C-O 3.55Å; F507-F519 VanDerWaalsContact CA-O 3.26Å; F507-F519 WeakPolarHBondContact CA-O 3.14Å; F507-S520 WeakPolarHBondContact CE1-OG 3.48Å
508	T	98.4	Very high	95	Very high	19 Å²	19	49.2 Å²	49.2	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.1	-175.2	-57.4	0	0	0	0	109.9	V227 T229 V510 I518 F519	V227-T508 HydrophobicContact CG1-CG2 4.28Å; V227-T508 PolarHBondContact O-OG1 2.96Å; V227-T508 VanDerWaalsContact O-OG1 3.08Å; T229-T508 HydrophobicContact CG2-CG2 4.08Å; T508-V510 HydrophobicContact CG2-CG2 4.46Å; T508-I518 WeakPolarHBondContact O-CA 3.31Å; T508-F519 PolarHBondContact N-O 3.34Å; T508-F519 PolarHBondContact O-N 3.07Å
509	V	97.9	Very high	95.3	Very high	44 Å²	44	43.8 Å²	43.8	27%	0.267	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.6	174.4	170.9	0	0	0	0	109.4	T229 F464 F466	T229-V509 WeakPolarHBondContact CG2-O 3.19Å; F464-V509 HydrophobicContact CB-CG2 3.5Å; F464-V509 HydrophobicContact CD2-CG2 4Å; F464-V509 HydrophobicContact CG-CG2 4.1Å; F466-V509 HydrophobicContact CD1-CG1 4.33Å; F466-V509 HydrophobicContact CE1-CB 4.47Å; F466-V509 HydrophobicContact CE1-CG1 3.44Å; F466-V509 VanDerWaalsContact CE1-CG1 3.44Å; F466-V509 HydrophobicContact CE1-CG2 4.34Å; F466-V509 HydrophobicContact CE2-CG2 4.39Å; F466-V509 HydrophobicContact CZ-CB 4.34Å; F466-V509 HydrophobicContact CZ-CG1 3.75Å; F466-V509 HydrophobicContact CZ-CG2 3.91Å
510	V	97.6	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	113.3	174.7	-177.3	0	0	0	0	107.7	T229 V236 V238 F260 T508 F517 F519	T229-V510 HydrophobicContact CG2-CG2 4.33Å; V236-V510 HydrophobicContact CG1-CG1 3.49Å; V236-V510 VanDerWaalsContact CG1-CG1 3.49Å; V238-V510 HydrophobicContact CG2-CG1 3.99Å; V238-V510 HydrophobicContact CG2-CG2 3.88Å; F260-V510 HydrophobicContact CE1-CG1 4.07Å; F260-V510 HydrophobicContact CZ-CG1 3.79Å; T508-V510 HydrophobicContact CG2-CG2 4.46Å; V510-F517 HydrophobicContact CB-CB 4.38Å; V510-F517 PolarHBondContact N-O 3.16Å; V510-F517 WeakPolarHBondContact O-CA 3.32Å; V510-F517 WeakPolarHBondContact O-CB 3.31Å; V510-F517 PolarHBondContact O-N 2.81Å; V510-F519 HydrophobicContact CB-CD2 4.05Å; V510-F519 HydrophobicContact CB-CE2 3.98Å; V510-F519 HydrophobicContact CG1-CE2 4.33Å; V510-F519 HydrophobicContact CG2-CD2 3.47Å; V510-F519 VanDerWaalsContact CG2-CD2 3.47Å; V510-F519 HydrophobicContact CG2-CE2 3.7Å; V510-F519 HydrophobicContact CG2-CG 4.35Å
511	S	95.2	Very high	95.8	Very high	59 Å²	59	37 Å²	37	41%	0.413	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.3	177.4	-66.8	0	0	0	0	110.4	D516	S511-D516 VanDerWaalsContact CB-OD1 3.32Å; S511-D516 WeakPolarHBondContact CB-OD1 3.38Å; S511-D516 PolarHBondContact OG-OD1 3.38Å
512	T	91.9	Very high	96	Very high	21 Å²	21	36.9 Å²	36.9	13%	0.129	18%	0.179	C	C	.	.			trans	-104.7	178.5	169.1	64.7	0	0	0	0	109	V236 W253 R514 R515 F517	V236-T512 HydrophobicContact CG2-CG2 4.39Å; W253-T512 HydrophobicContact CD2-CG2 3.85Å; W253-T512 HydrophobicContact CE3-CG2 4.35Å; W253-T512 HydrophobicContact CG-CG2 3.9Å; T512-R514 PolarHBondContact O-N 2.92Å; T512-R515 PolarHBondContact N-O 3.04Å; T512-R515 WeakPolarHBondContact OG1-CA 3.17Å; T512-R515 WeakPolarHBondContact OG1-CB 3.12Å; T512-R515 PolarHBondContact OG1-N 2.9Å; T512-R515 PolarHBondContact OG1-O 2.91Å; T512-F517 HydrophobicContact CG2-CD2 4.31Å; T512-F517 HydrophobicContact CG2-CE2 3.89Å
513	D	83.4	Confident	96.1	Very high	147 Å²	147	36.9 Å²	36.9	79%	0.786	18%	0.178	S	C	*	.	S	Bend	trans	-55.6	-25.2	179.9	-65.6	-17	0	0	0	114.7
514	R	85.9	Confident	96	Very high	238 Å²	238	43.4 Å²	43.4	90%	0.898	21%	0.205	S	C	*	.	S	Bend	trans	-133.6	-16	-173.4	-62.7	-173.5	-177.9	-175.3	1.6	115	T512	T512-R514 PolarHBondContact O-N 2.92Å
515	R	94.2	Very high	95.8	Very high	51 Å²	51	44 Å²	44	19%	0.192	21%	0.211	C	C	.	.			trans	-135	142.1	-169	-60.2	176.8	76.3	-167.7	1.3	110.3	H217 M258 T512 F517 E531	H217-R515 PolarHBondContact CE1-NH2 2.85Å; H217-R515 PolarHBondContact ND1-NH2 2.91Å; M258-R515 PolarHBondContact O-NH1 3.31Å; T512-R515 PolarHBondContact N-O 3.04Å; T512-R515 WeakPolarHBondContact OG1-CA 3.17Å; T512-R515 WeakPolarHBondContact OG1-CB 3.12Å; T512-R515 PolarHBondContact OG1-N 2.9Å; T512-R515 PolarHBondContact OG1-O 2.91Å; R515-F517 HydrophobicContact CB-CD2 4.49Å; R515-F517 HydrophobicContact CB-CE1 4.49Å; R515-F517 HydrophobicContact CB-CE2 3.59Å; R515-F517 HydrophobicContact CB-CZ 3.59Å; R515-F517 HydrophobicContact CG-CZ 4.46Å; R515-E531 IonicContact CZ-OE2 3.89Å; R515-E531 IonicContact NE-OE1 2.92Å; R515-E531 PolarHBondContact NE-OE1 2.77Å; R515-E531 IonicContact NE-OE2 3.68Å; R515-E531 IonicContact NH2-OE1 3.19Å; R515-E531 PolarHBondContact NH2-OE1 2.94Å; R515-E531 IonicContact NH2-OE2 2.98Å; R515-E531 PolarHBondContact NH2-OE2 3.23Å; R515-E531 IonicContact CZ-OE1 3.78Å
516	D	96.9	Very high	95.7	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	-175.2	-78.3	-39.8	0	0	0	108.4	F466 S511 H532	F466-D516 HydrophobicContact CD1-CB 3.51Å; F466-D516 VanDerWaalsContact CD1-CG 3.49Å; F466-D516 HydrophobicContact CE1-CB 3.44Å; F466-D516 VanDerWaalsContact CE1-CB 3.44Å; F466-D516 HydrophobicContact CG-CB 4.3Å; F466-D516 HydrophobicContact CZ-CB 4.2Å; S511-D516 VanDerWaalsContact CB-OD1 3.32Å; S511-D516 WeakPolarHBondContact CB-OD1 3.38Å; S511-D516 PolarHBondContact OG-OD1 3.38Å; D516-H532 HydrophobicContact CB-CB 3.95Å; D516-H532 PolarHBondContact O-N 3.18Å
517	F	98.1	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.6	-176.5	-55.2	-82.7	0	0	0	111.2	H217 W253 F260 F466 V510 T512 R515 F519 I529 F530 E531	H217-F517 HydrophobicContact CB-CE1 4.46Å; H217-F517 AromaticContact CD2-CE1 3.72Å; H217-F517 AromaticContact CG-CE1 3.89Å; W253-F517 HydrophobicContact CE3-CE2 4.26Å; W253-F517 HydrophobicContact CE3-CZ 4.45Å; W253-F517 AromaticContact CH2-CE2 3.98Å; W253-F517 HydrophobicContact CH2-CE2 3.98Å; W253-F517 AromaticContact CH2-CZ 3.56Å; W253-F517 HydrophobicContact CH2-CZ 3.56Å; W253-F517 HydrophobicContact CZ2-CZ 4.48Å; W253-F517 HydrophobicContact CZ3-CE1 4.42Å; W253-F517 AromaticContact CZ3-CE2 3.78Å; W253-F517 HydrophobicContact CZ3-CE2 3.78Å; W253-F517 AromaticContact CZ3-CZ 3.55Å; W253-F517 HydrophobicContact CZ3-CZ 3.55Å; F260-F517 HydrophobicContact CE2-CD1 4.42Å; F260-F517 AromaticContact CE2-CD2 3.89Å; F260-F517 HydrophobicContact CE2-CD2 3.89Å; F260-F517 HydrophobicContact CE2-CE2 4.12Å; F260-F517 HydrophobicContact CE2-CG 4.05Å; F260-F517 HydrophobicContact CE2-CZ 4.47Å; F260-F517 AromaticContact CZ-CD2 3.98Å; F260-F517 HydrophobicContact CZ-CD2 3.98Å; F260-F517 HydrophobicContact CZ-CE2 4.32Å; F260-F517 HydrophobicContact CZ-CG 4.46Å; F466-F517 WeakPolarHBondContact CZ-O 3.39Å; V510-F517 HydrophobicContact CB-CB 4.38Å; V510-F517 PolarHBondContact N-O 3.16Å; V510-F517 WeakPolarHBondContact O-CA 3.32Å; V510-F517 WeakPolarHBondContact O-CB 3.31Å; V510-F517 PolarHBondContact O-N 2.81Å; T512-F517 HydrophobicContact CG2-CD2 4.31Å; T512-F517 HydrophobicContact CG2-CE2 3.89Å; R515-F517 HydrophobicContact CB-CD2 4.49Å; R515-F517 HydrophobicContact CB-CE1 4.49Å; R515-F517 HydrophobicContact CB-CE2 3.59Å; R515-F517 HydrophobicContact CB-CZ 3.59Å; R515-F517 HydrophobicContact CG-CZ 4.46Å; F517-F519 HydrophobicContact CB-CE2 4.42Å; F517-I529 HydrophobicContact CB-CG2 4.2Å; F517-I529 HydrophobicContact CD1-CG2 4.16Å; F517-I529 HydrophobicContact CG-CG2 4.46Å; F517-F530 WeakPolarHBondContact CA-O 3.48Å; F517-F530 VanDerWaalsContact CA-O 3.22Å; F517-F530 CarbonylContact C-O 2.94Å; F517-E531 HydrophobicContact CD1-CB 3.96Å; F517-E531 HydrophobicContact CD1-CG 4.31Å; F517-E531 HydrophobicContact CE1-CB 3.99Å; F517-E531 HydrophobicContact CE1-CG 4.07Å
518	I	98.1	Very high	95.7	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.1	167.4	-170.6	170.3	0	0	0	109.2	F214 F464 F507 T508 F530	F214-I518 HydrophobicContact CD1-CG2 3.8Å; F214-I518 HydrophobicContact CE1-CG2 4.12Å; F464-I518 HydrophobicContact CD1-CD1 4.02Å; F464-I518 HydrophobicContact CD2-CD1 4.04Å; F464-I518 HydrophobicContact CE1-CD1 3.76Å; F464-I518 HydrophobicContact CE2-CD1 3.76Å; F464-I518 HydrophobicContact CG-CD1 4.15Å; F464-I518 HydrophobicContact CZ-CD1 3.6Å; F507-I518 HydrophobicContact CB-CD1 4.07Å; F507-I518 HydrophobicContact CB-CG1 4.3Å; F507-I518 HydrophobicContact CD1-CD1 4.09Å; F507-I518 HydrophobicContact CD1-CG1 4.37Å; F507-I518 HydrophobicContact CG-CD1 4.48Å; T508-I518 WeakPolarHBondContact O-CA 3.31Å; I518-F530 HydrophobicContact CG2-CB 3.68Å; I518-F530 HydrophobicContact CG2-CD2 4.34Å; I518-F530 HydrophobicContact CG2-CG 4.43Å; I518-F530 PolarHBondContact N-O 2.97Å; I518-F530 PolarHBondContact O-N 2.9Å
519	F	98.5	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.4	172.3	-80.7	-115.2	0	0	0	108.8	V227 V238 I240 L251 F260 F507 T508 V510 F517 I529	V227-F519 HydrophobicContact CB-CB 4.49Å; V227-F519 HydrophobicContact CG1-CB 3.87Å; V227-F519 HydrophobicContact CG1-CD1 4.17Å; V227-F519 HydrophobicContact CG1-CG 4.2Å; V227-F519 HydrophobicContact CG2-CB 4.48Å; V238-F519 HydrophobicContact CB-CE1 4.33Å; V238-F519 HydrophobicContact CB-CZ 4.35Å; V238-F519 HydrophobicContact CG1-CD1 3.93Å; V238-F519 HydrophobicContact CG1-CE1 3.81Å; V238-F519 HydrophobicContact CG1-CG 4.43Å; V238-F519 HydrophobicContact CG1-CZ 4.2Å; V238-F519 HydrophobicContact CG2-CE1 4.32Å; V238-F519 HydrophobicContact CG2-CE2 4.11Å; V238-F519 HydrophobicContact CG2-CZ 3.87Å; I240-F519 HydrophobicContact CD1-CD1 4.48Å; I240-F519 HydrophobicContact CD1-CE1 4.44Å; L251-F519 HydrophobicContact CD1-CE1 4.24Å; F260-F519 HydrophobicContact CB-CZ 4.46Å; F260-F519 AromaticContact CD1-CZ 3.87Å; F260-F519 HydrophobicContact CD1-CZ 3.87Å; F260-F519 HydrophobicContact CD2-CE2 4.09Å; F260-F519 AromaticContact CD2-CZ 3.63Å; F260-F519 HydrophobicContact CD2-CZ 3.63Å; F260-F519 HydrophobicContact CE1-CE2 4.14Å; F260-F519 AromaticContact CE1-CZ 3.92Å; F260-F519 HydrophobicContact CE1-CZ 3.92Å; F260-F519 AromaticContact CE2-CE2 3.65Å; F260-F519 HydrophobicContact CE2-CE2 3.65Å; F260-F519 AromaticContact CE2-CZ 3.68Å; F260-F519 HydrophobicContact CE2-CZ 3.68Å; F260-F519 AromaticContact CG-CZ 3.72Å; F260-F519 HydrophobicContact CG-CZ 3.72Å; F260-F519 AromaticContact CZ-CE2 3.68Å; F260-F519 HydrophobicContact CZ-CE2 3.68Å; F260-F519 AromaticContact CZ-CZ 3.83Å; F260-F519 HydrophobicContact CZ-CZ 3.83Å; F507-F519 CarbonylContact C-O 3.55Å; F507-F519 VanDerWaalsContact CA-O 3.26Å; F507-F519 WeakPolarHBondContact CA-O 3.14Å; T508-F519 PolarHBondContact N-O 3.34Å; T508-F519 PolarHBondContact O-N 3.07Å; V510-F519 HydrophobicContact CB-CD2 4.05Å; V510-F519 HydrophobicContact CB-CE2 3.98Å; V510-F519 HydrophobicContact CG1-CE2 4.33Å; V510-F519 HydrophobicContact CG2-CD2 3.47Å; V510-F519 VanDerWaalsContact CG2-CD2 3.47Å; V510-F519 HydrophobicContact CG2-CE2 3.7Å; V510-F519 HydrophobicContact CG2-CG 4.35Å; F517-F519 HydrophobicContact CB-CE2 4.42Å; F519-I529 HydrophobicContact CE2-CG1 4.19Å; F519-I529 HydrophobicContact CE2-CG2 3.73Å; F519-I529 HydrophobicContact CZ-CD1 3.42Å; F519-I529 VanDerWaalsContact CZ-CD1 3.42Å; F519-I529 HydrophobicContact CZ-CG1 3.75Å; F519-I529 HydrophobicContact CZ-CG2 4.02Å; F519-I529 HydrophobicContact CG-CG1 4.17Å; F519-I529 VanDerWaalsContact CE1-CG1 3.49Å; F519-I529 HydrophobicContact CE2-CD1 4.24Å; F519-I529 HydrophobicContact CD1-CD1 4.09Å; F519-I529 HydrophobicContact CD1-CG1 3.72Å; F519-I529 HydrophobicContact CD2-CG1 4.39Å; F519-I529 HydrophobicContact CD2-CG2 4.05Å; F519-I529 HydrophobicContact CE1-CD1 3.33Å; F519-I529 HydrophobicContact CE1-CG1 3.49Å
520	S	98.3	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.1	171.8	-177.5	0	0	0	0	109.4	I501 S506 F507 T527 Q528	I501-S520 WeakPolarHBondContact CD1-OG 3.49Å; I501-S520 WeakPolarHBondContact CG2-OG 3.41Å; S506-S520 WeakPolarHBondContact O-CA 3.26Å; F507-S520 WeakPolarHBondContact CE1-OG 3.48Å; S520-T527 WeakPolarHBondContact O-CA 3.44Å; S520-T527 WeakPolarHBondContact O-CG2 3.44Å; S520-Q528 PolarHBondContact N-O 3.21Å; S520-Q528 PolarHBondContact O-N 3.23Å
521	S	98.1	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	153.9	169.5	56.5	0	0	0	0	111	S224 L225 P504 R505 S506	S224-S521 WeakPolarHBondContact OG-CA 3.45Å; S224-S521 WeakPolarHBondContact OG-CB 3.14Å; L225-S521 WeakPolarHBondContact O-CB 3.33Å; L225-S521 PolarHBondContact O-OG 2.66Å; P504-S521 VanDerWaalsContact CA-O 3.31Å; P504-S521 WeakPolarHBondContact CA-O 3.32Å; R505-S521 WeakPolarHBondContact CB-OG 3.33Å; R505-S521 PolarHBondContact N-O 2.7Å; S506-S521 PolarHBondContact N-OG 3.26Å; S506-S521 PolarHBondContact O-N 2.85Å; S506-S521 VanDerWaalsContact O-N 3.13Å; S506-S521 WeakPolarHBondContact OG-CB 3.23Å; S506-S521 PolarHBondContact OG-OG 3.2Å
522	S	98	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	118.8	-178.5	178.4	0	0	0	0	109.8	E223 S224 Q502 K524 G525 N526	E223-S522 CarbonylContact C-O 3.52Å; E223-S522 VanDerWaalsContact CA-O 3.24Å; E223-S522 WeakPolarHBondContact CA-O 3.23Å; S224-S522 PolarHBondContact N-O 3Å; S224-S522 CarbonylContact O-C 3.56Å; S224-S522 VanDerWaalsContact O-C 3.31Å; S224-S522 PolarHBondContact OG-N 2.8Å; Q502-S522 WeakPolarHBondContact O-CB 3.3Å; Q502-S522 PolarHBondContact O-OG 2.95Å; S522-K524 VanDerWaalsContact C-N 3.33Å; S522-K524 PolarHBondContact O-N 3.35Å; S522-G525 WeakPolarHBondContact CB-O 3.43Å; S522-G525 VanDerWaalsContact OG-C 3.23Å; S522-G525 VanDerWaalsContact OG-CA 3.25Å; S522-G525 WeakPolarHBondContact OG-CA 3.43Å; S522-G525 PolarHBondContact OG-N 3.15Å; S522-G525 PolarHBondContact OG-O 2.87Å; S522-N526 VanDerWaalsContact CB-O 3.26Å; S522-N526 WeakPolarHBondContact CB-O 3.12Å
523	F	97.1	Very high	95.8	Very high	85 Å²	85	44.9 Å²	44.9	37%	0.373	21%	0.206	S	C	.	.	S	Bend	trans	-77.5	-17.8	-176.5	-175.5	-116	0	0	0	114.1	L225 A503 R505	L225-F523 HydrophobicContact CD2-CD2 3.32Å; L225-F523 HydrophobicContact CD2-CE2 3.73Å; L225-F523 HydrophobicContact CD2-CG 4.27Å; L225-F523 HydrophobicContact CG-CD2 4.18Å; L225-F523 HydrophobicContact CG-CE2 4.44Å; A503-F523 HydrophobicContact CB-CB 4.07Å; A503-F523 WeakPolarHBondContact O-CB 3.39Å; A503-F523 PolarHBondContact O-N 3.02Å; R505-F523 HydrophobicContact CG-CB 3.82Å
524	K	95.1	Very high	96.1	Very high	145 Å²	145	42.8 Å²	42.8	63%	0.63	19%	0.194	S	C	*	.	S	Bend	trans	-132.2	1.4	-175.7	-71.8	-168.7	173.7	-177.1	0	114.4	Q502 A503 S522	Q502-K524 PolarHBondContact OE1-O 3.26Å; A503-K524 HydrophobicContact CB-CB 4.37Å; A503-K524 HydrophobicContact CB-CG 4.35Å; S522-K524 VanDerWaalsContact C-N 3.33Å; S522-K524 PolarHBondContact O-N 3.35Å
525	G	94.6	Very high	96.1	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	17%	0.166	C	C	.	.	S	Bend	trans	-143.7	-163.8	-177.4	0	0	0	0	0	110.2	E223 S522	E223-G525 WeakPolarHBondContact CA-O 3.49Å; S522-G525 WeakPolarHBondContact CB-O 3.43Å; S522-G525 VanDerWaalsContact OG-C 3.23Å; S522-G525 VanDerWaalsContact OG-CA 3.25Å; S522-G525 WeakPolarHBondContact OG-CA 3.43Å; S522-G525 PolarHBondContact OG-N 3.15Å; S522-G525 PolarHBondContact OG-O 2.87Å
526	N	96.4	Very high	95.4	Very high	79 Å²	79	35.1 Å²	35.1	42%	0.422	17%	0.174	S	C	.	.			trans	-78.4	140.1	179	-65.8	-16.4	0	0	0	110.9	S219 V220 S522 Q528	S219-N526 WeakPolarHBondContact OG-CB 3.43Å; S219-N526 PolarHBondContact OG-ND2 3.28Å; V220-N526 WeakPolarHBondContact O-CB 3.5Å; S522-N526 VanDerWaalsContact CB-O 3.26Å; S522-N526 WeakPolarHBondContact CB-O 3.12Å; N526-Q528 PolarHBondContact O-N 2.74Å
527	T	97.4	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.1	165.5	-55.8	0	0	0	0	109.3	V220 S222 S224 I240 S520	V220-T527 PolarHBondContact N-O 2.87Å; V220-T527 PolarHBondContact O-N 2.8Å; S222-T527 PolarHBondContact O-N 2.76Å; S222-T527 VanDerWaalsContact O-N 3.07Å; S222-T527 PolarHBondContact O-OG1 2.77Å; S224-T527 WeakPolarHBondContact CB-OG1 3.08Å; S224-T527 PolarHBondContact OG-OG1 2.04Å; I240-T527 HydrophobicContact CD1-CG2 4.34Å; S520-T527 WeakPolarHBondContact O-CA 3.44Å; S520-T527 WeakPolarHBondContact O-CG2 3.44Å
528	Q	97.9	Very high	93.1	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.5	-175.2	-71.1	178	-15.2	0	0	111	L216 Y500 S520 N526 F530	L216-Q528 HydrophobicContact CD1-CB 3.95Å; L216-Q528 HydrophobicContact CD1-CG 4.05Å; Y500-Q528 PolarHBondContact O-NE2 3.42Å; Y500-Q528 PolarHBondContact O-OE1 2.04Å; Y500-Q528 VanDerWaalsContact O-OE1 3.09Å; S520-Q528 PolarHBondContact N-O 3.21Å; S520-Q528 PolarHBondContact O-N 3.23Å; N526-Q528 PolarHBondContact O-N 2.74Å; Q528-F530 HydrophobicContact CB-CD2 4.37Å; Q528-F530 HydrophobicContact CB-CE2 3.68Å; Q528-F530 HydrophobicContact CB-CZ 4.1Å
529	I	98.4	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.9	176.9	-52.7	172.7	0	0	0	106.6	H217 Q218 V220 F260 F517 F519	H217-I529 WeakPolarHBondContact CB-O 3.5Å; H217-I529 PolarHBondContact N-O 2.89Å; Q218-I529 HydrophobicContact CB-CB 4.25Å; Q218-I529 HydrophobicContact CB-CD1 4.01Å; Q218-I529 HydrophobicContact CG-CD1 4.09Å; Q218-I529 PolarHBondContact N-O 3.07Å; Q218-I529 WeakPolarHBondContact O-CB 3.39Å; Q218-I529 PolarHBondContact O-N 2.73Å; V220-I529 HydrophobicContact CG2-CD1 3.87Å; V220-I529 HydrophobicContact CG2-CG1 4.48Å; F260-I529 HydrophobicContact CB-CD1 4.28Å; F260-I529 HydrophobicContact CD2-CD1 3.99Å; F260-I529 HydrophobicContact CD2-CG2 4.38Å; F260-I529 HydrophobicContact CE2-CG2 4.29Å; F260-I529 HydrophobicContact CG-CD1 4.39Å; F517-I529 HydrophobicContact CB-CG2 4.2Å; F517-I529 HydrophobicContact CD1-CG2 4.16Å; F517-I529 HydrophobicContact CG-CG2 4.46Å; F519-I529 HydrophobicContact CE2-CG1 4.19Å; F519-I529 HydrophobicContact CE2-CG2 3.73Å; F519-I529 HydrophobicContact CZ-CD1 3.42Å; F519-I529 VanDerWaalsContact CZ-CD1 3.42Å; F519-I529 HydrophobicContact CZ-CG1 3.75Å; F519-I529 HydrophobicContact CZ-CG2 4.02Å; F519-I529 HydrophobicContact CG-CG1 4.17Å; F519-I529 VanDerWaalsContact CE1-CG1 3.49Å; F519-I529 HydrophobicContact CE2-CD1 4.24Å; F519-I529 HydrophobicContact CD1-CD1 4.09Å; F519-I529 HydrophobicContact CD1-CG1 3.72Å; F519-I529 HydrophobicContact CD2-CG1 4.39Å; F519-I529 HydrophobicContact CD2-CG2 4.05Å; F519-I529 HydrophobicContact CE1-CD1 3.33Å; F519-I529 HydrophobicContact CE1-CG1 3.49Å
530	F	98.1	Very high	91.1	Very high	16 Å²	16	49 Å²	49	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.9	175	-57.7	-95.6	0	0	0	109.9	F214 V215 L216 V499 I501 F517 I518 Q528	F214-F530 HydrophobicContact CB-CB 4.26Å; V215-F530 CarbonylContact O-C 3.6Å; V215-F530 VanDerWaalsContact O-CA 3.22Å; V215-F530 WeakPolarHBondContact O-CA 3.29Å; L216-F530 HydrophobicContact CB-CD1 4.24Å; L216-F530 HydrophobicContact CB-CE1 4.22Å; L216-F530 HydrophobicContact CD1-CD1 4.46Å; L216-F530 HydrophobicContact CD1-CE1 4.22Å; L216-F530 HydrophobicContact CD1-CZ 4.45Å; V499-F530 HydrophobicContact CB-CE1 4.47Å; V499-F530 HydrophobicContact CB-CZ 4.26Å; V499-F530 HydrophobicContact CG1-CE1 4.26Å; V499-F530 HydrophobicContact CG1-CZ 4.48Å; I501-F530 HydrophobicContact CD1-CE2 4.04Å; I501-F530 HydrophobicContact CD1-CZ 4.33Å; I501-F530 HydrophobicContact CG1-CE2 4.07Å; I501-F530 HydrophobicContact CG1-CZ 4.14Å; F517-F530 WeakPolarHBondContact CA-O 3.48Å; F517-F530 VanDerWaalsContact CA-O 3.22Å; F517-F530 CarbonylContact C-O 2.94Å; I518-F530 HydrophobicContact CG2-CB 3.68Å; I518-F530 HydrophobicContact CG2-CD2 4.34Å; I518-F530 HydrophobicContact CG2-CG 4.43Å; I518-F530 PolarHBondContact N-O 2.97Å; I518-F530 PolarHBondContact O-N 2.9Å; Q528-F530 HydrophobicContact CB-CD2 4.37Å; Q528-F530 HydrophobicContact CB-CE2 3.68Å; Q528-F530 HydrophobicContact CB-CZ 4.1Å
531	E	97.6	Very high	90.7	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.6	170	-179.4	178.2	-161.4	0	0	110.1	F214 V215 H217 R515 F517 I533	F214-E531 WeakPolarHBondContact CA-O 3.15Å; V215-E531 PolarHBondContact N-O 2.87Å; V215-E531 PolarHBondContact O-N 2.78Å; H217-E531 HydrophobicContact CB-CB 4.05Å; R515-E531 IonicContact CZ-OE2 3.89Å; R515-E531 IonicContact NE-OE1 2.92Å; R515-E531 PolarHBondContact NE-OE1 2.77Å; R515-E531 IonicContact NE-OE2 3.68Å; R515-E531 IonicContact NH2-OE1 3.19Å; R515-E531 PolarHBondContact NH2-OE1 2.94Å; R515-E531 IonicContact NH2-OE2 2.98Å; R515-E531 PolarHBondContact NH2-OE2 3.23Å; R515-E531 IonicContact CZ-OE1 3.78Å; F517-E531 HydrophobicContact CD1-CB 3.96Å; F517-E531 HydrophobicContact CD1-CG 4.31Å; F517-E531 HydrophobicContact CE1-CB 3.99Å; F517-E531 HydrophobicContact CE1-CG 4.07Å; E531-I533 HydrophobicContact CB-CG2 4.48Å; E531-I533 HydrophobicContact CG-CG2 3.77Å
532	H	96.7	Very high	90.3	Very high	16 Å²	16	54.4 Å²	54.4	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.6	169.3	-177.1	-108.6	0	0	0	109.5	T212 D213 F214 F466 Y471 D516	T212-H532 VanDerWaalsContact CB-NE2 3.35Å; T212-H532 WeakPolarHBondContact CB-NE2 3.23Å; T212-H532 WeakPolarHBondContact CG2-NE2 3.45Å; D213-H532 WeakPolarHBondContact O-CA 3.13Å; F214-H532 HydrophobicContact CD1-CB 4.38Å; F214-H532 HydrophobicContact CE1-CB 4.11Å; F214-H532 AromaticContact CE1-CD2 3.54Å; F214-H532 AromaticContact CZ-CD2 3.56Å; F466-H532 HydrophobicContact CD2-CB 4.05Å; F466-H532 AromaticContact CD2-CD2 3.87Å; F466-H532 AromaticContact CD2-CG 3.77Å; F466-H532 HydrophobicContact CE2-CB 4.08Å; F466-H532 HydrophobicContact CG-CB 4.44Å; F466-H532 AromaticContact CG-ND1 3.94Å; F466-H532 HydrophobicContact CZ-CB 4.47Å; Y471-H532 AromaticContact CE2-NE2 3.82Å; Y471-H532 AromaticContact CZ-NE2 3.6Å; Y471-H532 PolarHBondContact OH-NE2 3.43Å; D516-H532 HydrophobicContact CB-CB 3.95Å; D516-H532 PolarHBondContact O-N 3.18Å
533	I	93.7	Very high	89.8	Confident	53 Å²	53	57.6 Å²	57.6	27%	0.272	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.3	-179.9	63.2	167.3	0	0	0	110.9	T212 D213 V215 E531 I535	T212-I533 CarbonylContact C-O 3.57Å; T212-I533 WeakPolarHBondContact CA-O 3.03Å; T212-I533 WeakPolarHBondContact CB-O 3.43Å; D213-I533 HydrophobicContact CB-CD1 4.3Å; D213-I533 HydrophobicContact CB-CG1 3.92Å; D213-I533 PolarHBondContact N-O 2.97Å; D213-I533 PolarHBondContact O-N 2.92Å; V215-I533 HydrophobicContact CG2-CD1 3.53Å; V215-I533 HydrophobicContact CG2-CG1 4.05Å; E531-I533 HydrophobicContact CB-CG2 4.48Å; E531-I533 HydrophobicContact CG-CG2 3.77Å; I533-I535 HydrophobicContact CD1-CG1 4.25Å; I533-I535 HydrophobicContact CG1-CG1 4.39Å
534	I	88.9	Confident	89.4	Confident	103 Å²	103	55.9 Å²	55.9	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.5	170.5	-61.5	172.4	0	0	0	108	S211	S211-I534 WeakPolarHBondContact O-CA 3.44Å
535	I	85.9	Confident	89	Confident	59 Å²	59	50 Å²	50	30%	0.303	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.4	175.7	-60	-172.1	0	0	0	109	T210 S211 D213 I533 L537	T210-I535 WeakPolarHBondContact CA-O 3.3Å; S211-I535 PolarHBondContact N-O 2.91Å; S211-I535 PolarHBondContact O-N 2.93Å; D213-I535 HydrophobicContact CB-CD1 3.44Å; D213-I535 VanDerWaalsContact CB-CD1 3.44Å; D213-I535 HydrophobicContact CB-CG1 4.08Å; I533-I535 HydrophobicContact CD1-CG1 4.25Å; I533-I535 HydrophobicContact CG1-CG1 4.39Å; I535-L537 HydrophobicContact CG2-CD2 4.07Å
536	D	79.9	Confident	88.6	Confident	69 Å²	69	52.7 Å²	52.7	37%	0.369	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.7	167.9	-172.9	-10.6	0	0	0	109.3	T538 L539	D536-T538 PolarHBondContact O-N 3.18Å; D536-T538 PolarHBondContact OD2-OG1 3.05Å; D536-T538 PolarHBondContact OD1-OG1 3.12Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.48Å; D536-T538 VanDerWaalsContact OD1-CG2 3.27Å; D536-T538 WeakPolarHBondContact OD1-CB 3.21Å; D536-T538 VanDerWaalsContact OD1-CB 3.25Å; D536-L539 HydrophobicContact CB-CD1 4.37Å
537	L	77.1	Confident	88	Confident	76 Å²	76	50.7 Å²	50.7	40%	0.398	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.1	180	-61.4	179.4	0	0	0	112.8	C167 C209 I535 L539	C167-L537 HydrophobicContact CB-CB 3.62Å; C167-L537 WeakPolarHBondContact CB-O 3.3Å; C209-L537 HydrophobicContact CB-CB 4.41Å; C209-L537 WeakPolarHBondContact O-CB 3.05Å; C209-L537 PolarHBondContact O-N 3.41Å; I535-L537 HydrophobicContact CG2-CD2 4.07Å; L537-L539 VanDerWaalsContact C-N 3.31Å
538	T	70.1	Confident	87.2	Confident	16 Å²	16	54.9 Å²	54.9	10%	0.098	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.2	176	68.3	0	0	0	0	113.9	K170 C209 D536	K170-T538 HydrophobicContact CB-CG2 4.13Å; K170-T538 HydrophobicContact CD-CG2 3.8Å; K170-T538 HydrophobicContact CG-CG2 4.36Å; C209-T538 HydrophobicContact CB-CG2 3.41Å; C209-T538 VanDerWaalsContact CB-CG2 3.41Å; D536-T538 PolarHBondContact O-N 3.18Å; D536-T538 PolarHBondContact OD2-OG1 3.05Å; D536-T538 PolarHBondContact OD1-OG1 3.12Å; D536-T538 PolarHBondContact OD1-N 2.76Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.48Å; D536-T538 VanDerWaalsContact OD1-CG2 3.27Å; D536-T538 WeakPolarHBondContact OD1-CB 3.21Å; D536-T538 VanDerWaalsContact OD1-CB 3.25Å
539	L	62.1	Low	86.2	Confident	180 Å²	180	57 Å²	57	94%	0.942	29%	0.294	S	S	*	.			trans	-83.4	0	-174.9	-69.9	173.8	0	0	0	114.2	D536 L537	D536-L539 HydrophobicContact CB-CD1 4.37Å; L537-L539 VanDerWaalsContact C-N 3.31Å

Retrieved 539 of 539 residues in 554.2 ms (Link to these results)

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