A0A096NBF1_PAPAN Loading...

NHL repeat-containing protein 3

AlphaFold DB , UniProt , Accession A0A096NBF1, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 347 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	41.4	Very low	32.3	Very low	243 Å²	243	148.2 Å²	148.2	100%	1.197	85%	0.852	S	S	*	*				0	89.5	0	-52.5	174.3	-148.7	0	0	105.5
2	A	35.4	Very low	32.1	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	84%	0.84	S	S	*	*				68.7	121.4	91.8	0	0	0	0	0	113.1
3	R	33.2	Very low	32.3	Very low	229 Å²	229	145.9 Å²	145.9	86%	0.864	84%	0.842	S	S	*	*			cis	-174.3	150	-24.1	-112.2	-178.9	-174.8	-177	3	105.1
4	F	29.7	Very low	32.2	Very low	180 Å²	180	149.8 Å²	149.8	79%	0.789	85%	0.845	S	S	*	*			cis	-131.5	-116.1	-2.8	-144.7	-68.3	0	0	0	110.3
5	W	31.3	Very low	32.3	Very low	226 Å²	226	148.8 Å²	148.8	86%	0.856	84%	0.835	S	S	*	*			trans	-144.8	144.5	-175.9	-107.2	47.3	0	0	0	113.2
6	V	29.4	Very low	32.3	Very low	103 Å²	103	145.6 Å²	145.6	62%	0.624	83%	0.834	S	S	*	*			trans	57.4	123.9	131.6	178.8	0	0	0	0	122.8
7	C	27.6	Very low	32.3	Very low	117 Å²	117	147.7 Å²	147.7	79%	0.791	83%	0.831	S	S	*	*			trans	52.9	152.3	152	-61.7	0	0	0	0	119.6
8	V	30.3	Very low	32.1	Very low	141 Å²	141	148.1 Å²	148.1	86%	0.855	83%	0.83	S	S	*	*			cis	-156.5	166.7	48.7	165.1	0	0	0	0	110.3
9	A	30.5	Very low	32.2	Very low	99 Å²	99	146.2 Å²	146.2	82%	0.818	82%	0.822	S	S	*	*			trans	-60.6	165.1	175.1	0	0	0	0	0	115.7
10	G	28.3	Very low	32.1	Very low	78 Å²	78	147 Å²	147	80%	0.804	82%	0.823	S	S	*	*			trans	179.5	104.7	167.3	0	0	0	0	0	112.3
11	A	38.7	Very low	32	Very low	117 Å²	117	147.9 Å²	147.9	97%	0.967	82%	0.821	S	S	*	*			trans	-76	143.8	172.9	0	0	0	0	0	110.9
12	G	30	Very low	31.5	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	80%	0.8	S	S	*	*			trans	-160.7	102.6	177.7	0	0	0	0	0	112.1
13	F	34.7	Very low	31.4	Very low	198 Å²	198	148.2 Å²	148.2	87%	0.868	81%	0.805	S	S	*	*			trans	-61.4	133.7	168.6	-107.1	-102.1	0	0	0	110.4
14	F	29.9	Very low	31.4	Very low	200 Å²	200	147.8 Å²	147.8	88%	0.877	81%	0.809	S	S	*	*			trans	-141.8	122.3	159.6	-98.9	-81.3	0	0	0	111.2
15	L	34.5	Very low	31.8	Very low	135 Å²	135	145.9 Å²	145.9	71%	0.707	82%	0.817	S	S	*	*			trans	-68.2	138.2	162.5	-89.4	81	0	0	0	109.2	F17	L15-F17 HydrophobicContact CD2-CD2 4.37Å; L15-F17 HydrophobicContact CD2-CE2 4.16Å
16	A	31.7	Very low	32	Very low	98 Å²	98	138 Å²	138	81%	0.81	81%	0.806	S	S	*	*			trans	-109.9	97.5	164.3	0	0	0	0	0	109.6
17	F	31.8	Very low	32.7	Very low	181 Å²	181	138.3 Å²	138.3	79%	0.794	81%	0.813	S	S	*	*			trans	-74.7	130.3	160.1	-98.7	-90.1	0	0	0	108.6	L15	L15-F17 HydrophobicContact CD2-CD2 4.37Å; L15-F17 HydrophobicContact CD2-CE2 4.16Å
18	L	29.5	Very low	33.2	Very low	155 Å²	155	138.1 Å²	138.1	81%	0.812	81%	0.81	S	S	*	*			trans	-125.2	112.4	174.9	-150.3	155.1	0	0	0	108.7
19	V	34.5	Very low	33.7	Very low	111 Å²	111	137 Å²	137	67%	0.673	80%	0.804	S	S	*	*			trans	-112.1	123.6	177.8	174.9	0	0	0	0	108.3
20	L	29.9	Very low	33.9	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	80%	0.804	S	S	*	*			trans	-148.7	143.4	161.7	-109	154.6	0	0	0	109.4
21	H	30.1	Very low	34.5	Very low	167 Å²	167	145.2 Å²	145.2	77%	0.773	80%	0.8	S	S	*	*			trans	-87	152.6	-160.4	-61	-18.4	0	0	0	114.2
22	S	29.5	Very low	34.1	Very low	108 Å²	108	146.5 Å²	146.5	76%	0.755	79%	0.79	S	S	*	*				-175.3	120.5	107.2	54.9	0	0	0	0	115.2
23	R	33.9	Very low	34.4	Very low	238 Å²	238	150.5 Å²	150.5	90%	0.898	79%	0.789	S	S	*	*			trans	35.2	95.7	141.4	-58	-176.7	-178.9	-172.2	0.4	118.9
24	F	33.5	Very low	34.3	Very low	220 Å²	220	147.1 Å²	147.1	97%	0.965	78%	0.784	S	S	*	*			trans	-137.9	153.1	137.1	-101	-81.7	0	0	0	110.4
25	C	37.3	Very low	34.4	Very low	140 Å²	140	146 Å²	146	95%	0.946	78%	0.78	S	S	*	*			trans	-80.7	135.5	-172.1	-168.1	0	0	0	0	111.8
26	G	36.3	Very low	34.5	Very low	62 Å²	62	143.9 Å²	143.9	64%	0.639	78%	0.781	S	S	*	*			trans	149.8	131	174.4	0	0	0	0	0	112.2	P28	G26-P28 WeakPolarHBondContact O-CD 3.33Å
27	S	43.1	Very low	34.7	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	77%	0.767	S	S	*	*			trans	-72.5	121.3	176.6	-177.4	0	0	0	0	110.5	V29	S27-V29 PolarHBondContact O-N 3.19Å; S27-V29 VanDerWaalsContact O-N 3.09Å
28	P	39.4	Very low	34.9	Very low	113 Å²	113	139 Å²	139	73%	0.734	76%	0.76	S	S	*	*			trans	-78.5	95.3	171.3	32	-30.5	0	0	0	108.6	G26 L30	G26-P28 WeakPolarHBondContact O-CD 3.33Å; P28-L30 PolarHBondContact O-N 3.23Å
29	V	41.2	Very low	35.4	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.715	76%	0.761	S	S	*	*			trans	-62.3	103.5	162.7	178	0	0	0	0	107	S27 R31	S27-V29 PolarHBondContact O-N 3.19Å; S27-V29 VanDerWaalsContact O-N 3.09Å; V29-R31 HydrophobicContact CG1-CG 4.44Å; V29-R31 PolarHBondContact O-N 3.18Å
30	L	34.5	Very low	35.8	Very low	157 Å²	157	147 Å²	147	82%	0.822	77%	0.767	S	S	*	*			trans	-63	86.6	169.3	-89.6	160.2	0	0	0	108.7	P28 N32	P28-L30 PolarHBondContact O-N 3.23Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 2.92Å
31	R	39.7	Very low	36.8	Very low	192 Å²	192	145.3 Å²	145.3	73%	0.725	76%	0.764	S	S	*	*			trans	-65.7	99.1	163	-75.4	-170.8	174.9	-158.8	-0.2	107.1	V29 F33	V29-R31 HydrophobicContact CG1-CG 4.44Å; V29-R31 PolarHBondContact O-N 3.18Å; R31-F33 HydrophobicContact CB-CD2 4.07Å; R31-F33 HydrophobicContact CB-CE2 3.96Å; R31-F33 PolarHBondContact O-N 2.98Å
32	N	31.8	Very low	38.3	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	76%	0.756	S	S	*	*			trans	-59.5	95.3	159.6	-86.2	-9.1	0	0	0	107.8	L30 T34	L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 2.92Å; N32-T34 PolarHBondContact O-N 2.82Å
33	F	34.8	Very low	40.6	Very low	154 Å²	154	144 Å²	144	68%	0.675	74%	0.744	S	S	*	*			trans	-72.6	83	161.1	-82.5	-85.6	0	0	0	107.6	R31 F35	R31-F33 HydrophobicContact CB-CD2 4.07Å; R31-F33 HydrophobicContact CB-CE2 3.96Å; R31-F33 PolarHBondContact O-N 2.98Å; F33-F35 VanDerWaalsContact C-N 3.28Å; F33-F35 HydrophobicContact CB-CD2 4.41Å; F33-F35 HydrophobicContact CB-CE2 4.37Å; F33-F35 PolarHBondContact O-N 3.44Å
34	T	33.2	Very low	43.1	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	72%	0.723	S	S	*	*			trans	-63.7	95.9	160.1	35.4	0	0	0	0	107.8	N32 A36	N32-T34 PolarHBondContact O-N 2.82Å; T34-A36 PolarHBondContact O-N 2.97Å
35	F	33.1	Very low	46	Very low	178 Å²	178	126.2 Å²	126.2	78%	0.781	68%	0.682	S	S	*	*			trans	-65.2	80.7	160.3	-86.1	-88.4	0	0	0	108.3	F33 V37	F33-F35 VanDerWaalsContact C-N 3.28Å; F33-F35 HydrophobicContact CB-CD2 4.41Å; F33-F35 HydrophobicContact CB-CE2 4.37Å; F33-F35 PolarHBondContact O-N 3.44Å; F35-V37 PolarHBondContact O-N 2.66Å
36	A	34.6	Very low	48.9	Very low	89 Å²	89	120.3 Å²	120.3	74%	0.736	64%	0.64	S	S	*	*			trans	-70	81.9	163.2	0	0	0	0	0	107.4	T34 S38	T34-A36 PolarHBondContact O-N 2.97Å; A36-S38 PolarHBondContact O-N 3.35Å
37	V	37	Very low	51.7	Low	87 Å²	87	124 Å²	124	53%	0.527	63%	0.634	S	S	.	*			trans	-67	89.1	163.3	-175.2	0	0	0	0	106.1	F35 W39	F35-V37 PolarHBondContact O-N 2.66Å; V37-W39 HydrophobicContact CG1-CD2 3.91Å; V37-W39 VanDerWaalsContact CG1-CE2 3.49Å; V37-W39 HydrophobicContact CG1-CG 4.14Å; V37-W39 HydrophobicContact CG1-CZ2 3.9Å; V37-W39 PolarHBondContact O-N 2.86Å
38	S	36.4	Very low	54.2	Low	90 Å²	90	121.7 Å²	121.7	63%	0.629	61%	0.613	S	S	*	*			trans	-66.5	85.2	169.9	165.7	0	0	0	0	107.6	A36 R40	A36-S38 PolarHBondContact O-N 3.35Å; S38-R40 PolarHBondContact O-N 2.85Å
39	W	38.6	Very low	57	Low	222 Å²	222	117.6 Å²	117.6	84%	0.841	59%	0.585	S	S	*	*			trans	-66.1	68.8	162.1	-59.3	102.3	0	0	0	109.2	V37 T41	V37-W39 HydrophobicContact CG1-CD2 3.91Å; V37-W39 VanDerWaalsContact CG1-CE2 3.49Å; V37-W39 HydrophobicContact CG1-CG 4.14Å; V37-W39 HydrophobicContact CG1-CZ2 3.9Å; V37-W39 PolarHBondContact O-N 2.86Å; W39-T41 PolarHBondContact O-N 3.29Å
40	R	43.7	Very low	59.6	Low	212 Å²	212	117.6 Å²	117.6	80%	0.8	59%	0.585	S	S	*	*			trans	-65	99.9	150.2	-80.2	-172.5	-178.3	-159.2	1.1	104.5	S38 E42	S38-R40 PolarHBondContact O-N 2.85Å; R40-E42 PolarHBondContact O-N 2.92Å
41	T	50.5	Low	62.6	Low	127 Å²	127	115.1 Å²	115.1	78%	0.779	57%	0.573	S	S	*	*			trans	-60.4	95	159	45.7	0	0	0	0	106.1	W39 K43	W39-T41 PolarHBondContact O-N 3.29Å; T41-K43 PolarHBondContact O-N 3.08Å
42	E	62	Low	65.4	Low	130 Å²	130	106.4 Å²	106.4	61%	0.607	54%	0.54	S	S	*	.			trans	-55.5	113.7	168.6	-72	-161.5	164	0	0	106.4	R40 S44	R40-E42 PolarHBondContact O-N 2.92Å; E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 2.63Å
43	K	78.9	Confident	68.5	Low	118 Å²	118	100.4 Å²	100.4	51%	0.513	51%	0.509	S	S	.	.			trans	-74.2	93.5	-178	-179.3	-171.3	174	-172.3	0	106.3	T41 L45 S300	T41-K43 PolarHBondContact O-N 3.08Å; K43-L45 HydrophobicContact CD-CD2 3.95Å; K43-L45 HydrophobicContact CG-CD2 4.14Å; K43-L45 WeakPolarHBondContact O-CG 3.3Å; K43-L45 PolarHBondContact O-N 2.62Å; K43-S300 WeakPolarHBondContact O-CB 3.34Å; K43-S300 PolarHBondContact O-OG 3.26Å
44	S	86.3	Confident	71.5	Confident	65 Å²	65	96.8 Å²	96.8	46%	0.455	49%	0.493	S	S	.	.			trans	-49.9	125.6	168.8	178.3	0	0	0	0	108.8	E42 Y46 L338	E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 2.63Å; S44-Y46 PolarHBondContact OG-O 2.9Å; S44-L338 WeakPolarHBondContact O-CD1 3.43Å; S44-L338 VanDerWaalsContact OG-CD1 3.3Å; S44-L338 WeakPolarHBondContact OG-CD1 3.19Å
45	L	94.7	Very high	74.5	Confident	18 Å²	18	94.6 Å²	94.6	9%	0.094	47%	0.474	C	S	.	.			trans	-102.9	-16.9	178.8	-65.1	177.9	0	0	0	112.3	K43 Y271 V284 I299 P337 L338	K43-L45 HydrophobicContact CD-CD2 3.95Å; K43-L45 HydrophobicContact CG-CD2 4.14Å; K43-L45 WeakPolarHBondContact O-CG 3.3Å; K43-L45 PolarHBondContact O-N 2.62Å; L45-Y271 HydrophobicContact CD1-CE1 4.21Å; L45-Y271 HydrophobicContact CD1-CE2 4.31Å; L45-V284 HydrophobicContact CD1-CB 4.31Å; L45-V284 HydrophobicContact CD1-CG1 3.73Å; L45-I299 HydrophobicContact CD1-CG2 4.46Å; L45-P337 CarbonylContact O-C 3.53Å; L45-P337 WeakPolarHBondContact O-CA 3.33Å; L45-L338 PolarHBondContact O-N 3.15Å
46	Y	96.4	Very high	77.4	Confident	16 Å²	16	89.4 Å²	89.4	6%	0.063	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.9	-172.6	-71	-88.3	0	0	0	111	S44 T266 I273 V284 I302 G320 V322 V336 P337	S44-Y46 PolarHBondContact OG-O 2.9Å; Y46-T266 WeakPolarHBondContact OH-CG2 3.47Å; Y46-I273 HydrophobicContact CE2-CD1 3.88Å; Y46-V284 HydrophobicContact CD2-CG2 4.12Å; Y46-V284 HydrophobicContact CE2-CG2 4.1Å; Y46-I302 HydrophobicContact CD2-CD1 4.16Å; Y46-I302 HydrophobicContact CG-CD1 4.1Å; Y46-G320 WeakPolarHBondContact CE1-O 3.3Å; Y46-V322 HydrophobicContact CD1-CG2 4.12Å; Y46-V322 HydrophobicContact CE1-CG2 3.57Å; Y46-V336 VanDerWaalsContact CA-O 3.31Å; Y46-V336 WeakPolarHBondContact CA-O 3.46Å; Y46-P337 HydrophobicContact CD1-CG 4.29Å; Y46-P337 HydrophobicContact CE1-CB 4.28Å; Y46-P337 HydrophobicContact CE1-CG 3.74Å
47	R	95.4	Very high	80.4	Confident	139 Å²	139	91 Å²	91	53%	0.525	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.1	168.3	63.1	176	-176.6	91.7	-2.2	110.5	Y335 V336 L338	R47-Y335 CarbonylContact O-C 3.6Å; R47-Y335 VanDerWaalsContact O-CA 3.29Å; R47-Y335 WeakPolarHBondContact O-CA 3.36Å; R47-V336 HydrophobicContact CG-CG2 3.67Å; R47-V336 PolarHBondContact N-O 3.09Å; R47-V336 PolarHBondContact O-N 3.21Å; R47-L338 HydrophobicContact CB-CD2 4.03Å; R47-L338 HydrophobicContact CB-CG 4.46Å; R47-L338 HydrophobicContact CG-CD2 3.88Å; R47-L338 HydrophobicContact CG-CG 4.48Å
48	L	97.1	Very high	83.3	Confident	62 Å²	62	91.4 Å²	91.4	33%	0.325	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.3	169.6	177.9	56.1	0	0	0	110.5	V50 Q333 K334 Y335	L48-V50 HydrophobicContact CD2-CG1 3.94Å; L48-V50 HydrophobicContact CG-CG1 3.91Å; L48-Q333 HydrophobicContact CD1-CB 3.96Å; L48-Q333 HydrophobicContact CD1-CG 4.29Å; L48-K334 WeakPolarHBondContact CD1-O 3.34Å; L48-Y335 HydrophobicContact CB-CD1 4.3Å; L48-Y335 HydrophobicContact CB-CE1 4.21Å; L48-Y335 HydrophobicContact CD1-CE1 4.18Å
49	D	97.7	Very high	86.2	Confident	26 Å²	26	88.3 Å²	88.3	14%	0.139	42%	0.418	C	S	.	.			trans	-90.6	90.2	165.4	-172.1	2.8	0	0	0	108.3	D51 W52 K334 V336	D49-D51 PolarHBondContact O-N 3.16Å; D49-D51 PolarHBondContact OD1-N 3.14Å; D49-W52 PolarHBondContact O-N 3.15Å; D49-K334 HydrophobicContact CB-CB 4.25Å; D49-K334 HydrophobicContact CB-CD 4.13Å; D49-K334 HydrophobicContact CB-CG 4.14Å; D49-K334 WeakPolarHBondContact CB-O 3.16Å; D49-K334 PolarHBondContact N-O 3.12Å; D49-K334 WeakPolarHBondContact OD2-CD 3.35Å; D49-K334 WeakPolarHBondContact OD2-CE 3.47Å; D49-K334 IonicContact OD2-NZ 3.74Å; D49-K334 PolarHBondContact OD2-NZ 2.92Å; D49-V336 HydrophobicContact CB-CG1 4.12Å
50	V	96.2	Very high	89	Confident	118 Å²	118	81.6 Å²	81.6	72%	0.715	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.4	-177.5	-61.4	0	0	0	0	113.5	L48 W52	L48-V50 HydrophobicContact CD2-CG1 3.94Å; L48-V50 HydrophobicContact CG-CG1 3.91Å; V50-W52 VanDerWaalsContact C-N 3.31Å
51	D	96.5	Very high	91.5	Very high	106 Å²	106	71.8 Å²	71.8	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.5	179.1	-70.6	-38.2	0	0	0	112.4	D49 K54	D49-D51 PolarHBondContact O-N 3.16Å; D49-D51 PolarHBondContact OD1-N 3.14Å; D51-K54 WeakPolarHBondContact O-CD 3.33Å; D51-K54 PolarHBondContact O-NZ 3.08Å
52	W	98.1	Very high	93.8	Very high	8 Å²	8	67.5 Å²	67.5	3%	0.03	34%	0.341	C	S	.	.			trans	-127.7	131.7	178.7	-169	104.2	0	0	0	111.7	D49 V50 V75 I77 F90 T91 E92 Y323 V332 K334	D49-W52 PolarHBondContact O-N 3.15Å; V50-W52 VanDerWaalsContact C-N 3.31Å; W52-V75 HydrophobicContact CH2-CG1 4.02Å; W52-V75 HydrophobicContact CZ2-CB 4.03Å; W52-V75 HydrophobicContact CZ2-CG1 3.8Å; W52-V75 HydrophobicContact CZ2-CG2 4.13Å; W52-I77 HydrophobicContact CH2-CD1 3.97Å; W52-F90 HydrophobicContact CZ2-CB 4.42Å; W52-T91 PolarHBondContact NE1-O 3.46Å; W52-E92 PolarHBondContact NE1-O 2.96Å; W52-Y323 HydrophobicContact CD2-CD1 4.38Å; W52-Y323 AromaticContact CD2-CE1 3.97Å; W52-Y323 HydrophobicContact CD2-CE1 3.97Å; W52-Y323 AromaticContact CE2-CE1 3.55Å; W52-Y323 HydrophobicContact CE3-CD1 4.27Å; W52-Y323 HydrophobicContact CE3-CE1 4.31Å; W52-Y323 AromaticContact CH2-CD1 3.67Å; W52-Y323 HydrophobicContact CH2-CD1 3.67Å; W52-Y323 AromaticContact CH2-CE1 3.98Å; W52-Y323 HydrophobicContact CH2-CE1 3.98Å; W52-Y323 AromaticContact CZ2-CD1 3.77Å; W52-Y323 HydrophobicContact CZ2-CD1 3.77Å; W52-Y323 AromaticContact CZ2-CE1 3.59Å; W52-Y323 HydrophobicContact CZ2-CE1 3.59Å; W52-Y323 AromaticContact CZ3-CD1 3.92Å; W52-Y323 HydrophobicContact CZ3-CD1 3.92Å; W52-Y323 HydrophobicContact CZ3-CE1 4.32Å; W52-Y323 AromaticContact NE1-CE1 3.87Å; W52-V332 HydrophobicContact CH2-CB 4.1Å; W52-V332 HydrophobicContact CH2-CG1 3.79Å; W52-V332 HydrophobicContact CZ3-CB 3.9Å; W52-V332 HydrophobicContact CZ3-CG1 3.68Å; W52-V332 WeakPolarHBondContact CZ3-O 3.37Å; W52-K334 HydrophobicContact CB-CB 4.08Å; W52-K334 HydrophobicContact CB-CD 3.78Å; W52-K334 HydrophobicContact CD2-CB 3.83Å; W52-K334 HydrophobicContact CD2-CD 4.06Å; W52-K334 HydrophobicContact CE3-CB 3.64Å; W52-K334 HydrophobicContact CG-CB 4Å; W52-K334 HydrophobicContact CG-CD 3.58Å; W52-K334 HydrophobicContact CG-CG 4.48Å; W52-K334 HydrophobicContact CZ3-CB 4.4Å
53	P	98	Very high	95.5	Very high	18 Å²	18	61.3 Å²	61.3	12%	0.117	31%	0.312	C	S	.	.	S	Bend	cis	-72.5	162	-7.8	34.4	-38.4	0	0	0	111.3	H55 P56 F59 F90	P53-H55 PolarHBondContact O-N 2.92Å; P53-P56 HydrophobicContact CG-CB 4.11Å; P53-F59 HydrophobicContact CG-CE2 3.69Å; P53-F59 HydrophobicContact CG-CZ 3.82Å; P53-F90 HydrophobicContact CB-CD1 4.26Å; P53-F90 HydrophobicContact CB-CE1 4.05Å
54	K	97	Very high	96.4	Very high	78 Å²	78	56.8 Å²	56.8	34%	0.339	29%	0.292	S	S	.	.	S	Bend	trans	-65.5	-29	175.9	-62.8	-63.4	176.9	-140.7	0	113	D51 D93 G94 Y95	D51-K54 WeakPolarHBondContact O-CD 3.33Å; D51-K54 PolarHBondContact O-NZ 3.08Å; K54-D93 VanDerWaalsContact CE-O 3.23Å; K54-D93 WeakPolarHBondContact CE-O 3.25Å; K54-G94 WeakPolarHBondContact CB-O 3.5Å; K54-G94 PolarHBondContact N-O 3.49Å; K54-Y95 HydrophobicContact CG-CD1 4.17Å; K54-Y95 HydrophobicContact CG-CD2 4.47Å; K54-Y95 HydrophobicContact CG-CE1 4Å; K54-Y95 HydrophobicContact CG-CE2 4.32Å; K54-Y95 HydrophobicContact CG-CG 4.4Å
55	H	95.9	Very high	97	Very high	79 Å²	79	53.8 Å²	53.8	37%	0.366	27%	0.271	S	S	.	.			trans	-138.2	84.4	-173	-71.7	-76	0	0	0	109.6	P53 E57 Y58	P53-H55 PolarHBondContact O-N 2.92Å; H55-E57 WeakPolarHBondContact CA-OE2 3.43Å; H55-E57 WeakPolarHBondContact CB-OE2 3.15Å; H55-E57 IonicContact CE1-OE1 3.55Å; H55-E57 IonicContact CG-OE1 2.7Å; H55-E57 IonicContact ND1-OE1 3.83Å; H55-E57 PolarHBondContact ND1-OE1 3.25Å; H55-E57 IonicContact ND1-OE2 2.62Å; H55-E57 PolarHBondContact O-N 3.07Å; H55-Y58 HydrophobicContact CB-CD2 3.63Å; H55-Y58 HydrophobicContact CB-CE2 3.53Å; H55-Y58 WeakPolarHBondContact O-CD2 3.16Å
56	P	95.2	Very high	97.2	Very high	69 Å²	69	53 Å²	53	45%	0.448	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.6	-15.2	179.2	28.3	-35	0	0	0	113.3	P53 Y58 F59	P53-P56 HydrophobicContact CG-CB 4.11Å; P56-Y58 PolarHBondContact O-N 2.82Å; P56-Y58 VanDerWaalsContact O-N 3.09Å; P56-F59 HydrophobicContact CB-CD2 4.34Å; P56-F59 WeakPolarHBondContact O-CB 3.5Å; P56-F59 WeakPolarHBondContact O-CD2 3.35Å; P56-F59 PolarHBondContact O-N 2.76Å
57	E	96.5	Very high	97.3	Very high	123 Å²	123	52.2 Å²	52.2	58%	0.575	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.1	178.5	63.3	-91.6	-147.3	0	0	114.7	H55 F59	H55-E57 WeakPolarHBondContact CA-OE2 3.43Å; H55-E57 WeakPolarHBondContact CB-OE2 3.15Å; H55-E57 IonicContact CE1-OE1 3.55Å; H55-E57 IonicContact CG-OE1 2.7Å; H55-E57 IonicContact ND1-OE1 3.83Å; H55-E57 PolarHBondContact ND1-OE1 3.25Å; H55-E57 IonicContact ND1-OE2 2.62Å; H55-E57 PolarHBondContact O-N 3.07Å; E57-F59 PolarHBondContact O-N 3.08Å
58	Y	97.8	Very high	97.4	Very high	95 Å²	95	46 Å²	46	37%	0.373	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-72	-14.5	171.4	-69.6	-67.9	0	0	0	113.5	H55 P56 T60 L88 F90 F96	H55-Y58 HydrophobicContact CB-CD2 3.63Å; H55-Y58 HydrophobicContact CB-CE2 3.53Å; H55-Y58 WeakPolarHBondContact O-CD2 3.16Å; P56-Y58 PolarHBondContact O-N 2.82Å; P56-Y58 VanDerWaalsContact O-N 3.09Å; Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.05Å; Y58-L88 WeakPolarHBondContact O-CD1 3.34Å; Y58-F90 HydrophobicContact CD2-CE1 4.31Å; Y58-F90 HydrophobicContact CD2-CZ 4.46Å; Y58-F96 HydrophobicContact CD1-CD1 4.05Å; Y58-F96 HydrophobicContact CD1-CD2 4.17Å; Y58-F96 HydrophobicContact CD1-CE1 4.22Å; Y58-F96 HydrophobicContact CD1-CE2 4.34Å; Y58-F96 HydrophobicContact CD1-CG 4.01Å; Y58-F96 HydrophobicContact CD1-CZ 4.36Å; Y58-F96 HydrophobicContact CD2-CB 3.58Å; Y58-F96 HydrophobicContact CD2-CD1 4.43Å; Y58-F96 HydrophobicContact CD2-CD2 4.25Å; Y58-F96 AromaticContact CD2-CG 3.84Å; Y58-F96 HydrophobicContact CD2-CG 3.84Å; Y58-F96 AromaticContact CE1-CD1 3.63Å; Y58-F96 HydrophobicContact CE1-CD1 3.63Å; Y58-F96 AromaticContact CE1-CE1 3.92Å; Y58-F96 HydrophobicContact CE1-CE1 3.92Å; Y58-F96 AromaticContact CE1-CG 3.98Å; Y58-F96 HydrophobicContact CE1-CG 3.98Å; Y58-F96 HydrophobicContact CE1-CZ 4.49Å; Y58-F96 HydrophobicContact CE2-CB 3.44Å; Y58-F96 VanDerWaalsContact CE2-CB 3.44Å; Y58-F96 HydrophobicContact CE2-CD1 4.07Å; Y58-F96 AromaticContact CE2-CG 3.82Å; Y58-F96 HydrophobicContact CE2-CG 3.82Å; Y58-F96 HydrophobicContact CG-CB 4.2Å; Y58-F96 HydrophobicContact CG-CD1 4.44Å; Y58-F96 HydrophobicContact CG-CD2 4.01Å; Y58-F96 AromaticContact CG-CG 3.95Å; Y58-F96 HydrophobicContact CG-CG 3.95Å; Y58-F96 AromaticContact CZ-CD1 3.65Å; Y58-F96 AromaticContact CZ-CG 3.89Å
59	F	97.9	Very high	97.4	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.11	23%	0.227	C	C	.	.			trans	-77.6	78.2	173.1	-56.8	-34.6	0	0	0	110.8	P53 P56 E57 G61 T63 I77 L88 F90 K330 Q331 V332	P53-F59 HydrophobicContact CG-CE2 3.69Å; P53-F59 HydrophobicContact CG-CZ 3.82Å; P56-F59 HydrophobicContact CB-CD2 4.34Å; P56-F59 WeakPolarHBondContact O-CB 3.5Å; P56-F59 WeakPolarHBondContact O-CD2 3.35Å; P56-F59 PolarHBondContact O-N 2.76Å; E57-F59 PolarHBondContact O-N 3.08Å; F59-G61 VanDerWaalsContact C-N 3.31Å; F59-T63 HydrophobicContact CB-CG2 4.19Å; F59-T63 HydrophobicContact CD1-CG2 3.73Å; F59-T63 HydrophobicContact CE1-CG2 4.25Å; F59-T63 HydrophobicContact CG-CG2 3.92Å; F59-I77 HydrophobicContact CE1-CD1 3.59Å; F59-I77 HydrophobicContact CE1-CG2 4.41Å; F59-I77 HydrophobicContact CZ-CD1 3.93Å; F59-L88 HydrophobicContact CD1-CD1 3.73Å; F59-L88 HydrophobicContact CE1-CD1 4.12Å; F59-F90 AromaticContact CE1-CE2 3.91Å; F59-F90 HydrophobicContact CE1-CE2 3.91Å; F59-F90 AromaticContact CE1-CZ 3.91Å; F59-F90 HydrophobicContact CE1-CZ 3.91Å; F59-F90 HydrophobicContact CZ-CZ 4.44Å; F59-K330 WeakPolarHBondContact CB-O 3.29Å; F59-Q331 HydrophobicContact CD2-CB 3.73Å; F59-Q331 HydrophobicContact CE2-CB 3.9Å; F59-V332 HydrophobicContact CZ-CB 4.05Å; F59-V332 HydrophobicContact CZ-CG2 4.37Å
60	T	97.3	Very high	97.4	Very high	81 Å²	81	42.7 Å²	42.7	50%	0.497	23%	0.225	S	C	.	.			trans	-82.2	-6.1	-178.9	56.4	0	0	0	0	113.8	Y58 Q79	Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.05Å; T60-Q79 PolarHBondContact OG1-NE2 2.74Å; T60-Q79 VanDerWaalsContact OG1-NE2 3.09Å
61	G	97	Very high	97.3	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	-139.1	-174.7	-179.6	0	0	0	0	0	113.2	F59 T63 R80	F59-G61 VanDerWaalsContact C-N 3.31Å; G61-T63 PolarHBondContact O-N 2.74Å; G61-T63 VanDerWaalsContact O-N 3.15Å; G61-R80 CarbonylContact C-O 3.56Å; G61-R80 WeakPolarHBondContact CA-O 3.12Å
62	T	97.9	Very high	97.3	Very high	37 Å²	37	40.1 Å²	40.1	23%	0.227	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	102.3	172.8	-61.1	0	0	0	0	109.3	F64 Q79 R80 I327	T62-F64 HydrophobicContact CG2-CD2 4.24Å; T62-F64 PolarHBondContact O-N 3.41Å; T62-Q79 CarbonylContact O-C 3.46Å; T62-Q79 VanDerWaalsContact O-CA 3.32Å; T62-Q79 WeakPolarHBondContact O-CA 3.44Å; T62-R80 PolarHBondContact N-O 3.4Å; T62-R80 PolarHBondContact O-N 2.83Å; T62-I327 HydrophobicContact CG2-CB 3.8Å; T62-I327 HydrophobicContact CG2-CG2 4.08Å; T62-I327 WeakPolarHBondContact CG2-O 3.47Å
63	T	97.4	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	116.1	170.9	48.4	0	0	0	0	110.3	F59 G61 I77 Q79 I327 Q331 V332	F59-T63 HydrophobicContact CB-CG2 4.19Å; F59-T63 HydrophobicContact CD1-CG2 3.73Å; F59-T63 HydrophobicContact CE1-CG2 4.25Å; F59-T63 HydrophobicContact CG-CG2 3.92Å; G61-T63 PolarHBondContact O-N 2.74Å; G61-T63 VanDerWaalsContact O-N 3.15Å; T63-I77 HydrophobicContact CG2-CG2 3.89Å; T63-Q79 HydrophobicContact CG2-CB 4.31Å; T63-I327 VanDerWaalsContact O-CG2 3.29Å; T63-I327 WeakPolarHBondContact O-CG2 3.32Å; T63-Q331 WeakPolarHBondContact OG1-CA 3.41Å; T63-Q331 PolarHBondContact OG1-N 2.99Å; T63-Q331 PolarHBondContact OG1-O 2.96Å; T63-V332 HydrophobicContact CG2-CG2 4.07Å
64	F	97.8	Very high	97.3	Very high	23 Å²	23	40.5 Å²	40.5	10%	0.101	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-28.6	-168	-146.1	-97.6	0	0	0	113.1	T62 G78 R80 H108 H311 I327	T62-F64 HydrophobicContact CG2-CD2 4.24Å; T62-F64 PolarHBondContact O-N 3.41Å; F64-G78 PolarHBondContact N-O 3.47Å; F64-R80 HydrophobicContact CB-CG 4.17Å; F64-R80 VanDerWaalsContact CD1-NH2 3.34Å; F64-R80 HydrophobicContact CD2-CG 4.41Å; F64-R80 HydrophobicContact CG-CG 4.33Å; F64-R80 VanDerWaalsContact CZ-CZ 3.48Å; F64-H108 AromaticContact CE1-CD2 3.71Å; F64-H108 AromaticContact CE1-NE2 3.75Å; F64-H311 AromaticContact CD1-CE1 3.39Å; F64-H311 WeakPolarHBondContact CD1-CE1 3.49Å; F64-H311 AromaticContact CD1-ND1 3.52Å; F64-H311 AromaticContact CE1-CE1 2.96Å; F64-H311 WeakPolarHBondContact CE1-CE1 3.5Å; F64-H311 AromaticContact CE1-ND1 3.53Å; F64-H311 AromaticContact CE1-NE2 3.43Å; F64-H311 WeakPolarHBondContact CE1-NE2 3.44Å; F64-H311 AromaticContact CZ-CE1 3.57Å; F64-H311 AromaticContact CZ-NE2 3.56Å; F64-H311 PolarHBondContact O-ND1 3.27Å; F64-I327 HydrophobicContact CD2-CB 4.48Å; F64-I327 HydrophobicContact CD2-CG2 3.49Å; F64-I327 VanDerWaalsContact CD2-CG2 3.49Å; F64-I327 HydrophobicContact CE2-CD1 4.37Å; F64-I327 HydrophobicContact CE2-CG2 3.83Å; F64-I327 HydrophobicContact CG-CG2 4.15Å
65	C	98.4	Very high	97.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.4	-180	59	0	0	0	0	112.4	I77 G78 H108 I110 L312	C65-I77 WeakPolarHBondContact O-CA 3.35Å; C65-G78 PolarHBondContact N-O 2.84Å; C65-G78 PolarHBondContact O-N 2.82Å; C65-H108 WeakPolarHBondContact CB-O 3.17Å; C65-I110 HydrophobicContact CB-CG2 3.78Å; C65-I110 VanDerWaalsContact SG-CG2 3.52Å; C65-L312 HydrophobicContact CB-CB 4.28Å; C65-L312 HydrophobicContact CB-CD1 3.88Å
66	V	98.8	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.1	-179.7	58.9	0	0	0	0	109.7	V75 Y76 I77 I110 E314 Y323 A325 V332	V66-V75 HydrophobicContact CG2-CG1 3.63Å; V66-Y76 CarbonylContact C-O 3.47Å; V66-Y76 VanDerWaalsContact CA-O 3.26Å; V66-Y76 WeakPolarHBondContact CA-O 3.34Å; V66-I77 HydrophobicContact CG2-CG1 4.14Å; V66-I110 VanDerWaalsContact C-CG2 3.42Å; V66-E314 HydrophobicContact CG1-CB 4.48Å; V66-E314 WeakPolarHBondContact O-CB 3.41Å; V66-Y323 WeakPolarHBondContact CG1-O 3.37Å; V66-A325 HydrophobicContact CG1-CB 4.45Å; V66-V332 HydrophobicContact CB-CG1 4.19Å; V66-V332 HydrophobicContact CG1-CG1 4.41Å; V66-V332 HydrophobicContact CG2-CG1 4Å
67	A	98.7	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.7	171.9	0	0	0	0	0	110.3	V75 Y76 I110 A112	A67-V75 WeakPolarHBondContact O-CA 3.38Å; A67-Y76 PolarHBondContact N-O 3.33Å; A67-Y76 PolarHBondContact O-N 2.86Å; A67-I110 HydrophobicContact CB-CB 4.43Å; A67-I110 HydrophobicContact CB-CG1 4.1Å; A67-I110 HydrophobicContact CB-CG2 3.88Å; A67-A112 HydrophobicContact CB-CB 4.09Å
68	V	98.5	Very high	97.7	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	178.6	-171.3	0	0	0	0	109.8	S70 E314 D316 Y323	V68-S70 PolarHBondContact O-N 2.77Å; V68-E314 HydrophobicContact CB-CG 4.26Å; V68-E314 HydrophobicContact CG2-CB 4.17Å; V68-E314 HydrophobicContact CG2-CG 4.06Å; V68-D316 HydrophobicContact CG1-CB 4Å; V68-Y323 HydrophobicContact CG1-CE2 4.38Å; V68-Y323 HydrophobicContact CG2-CD2 3.34Å; V68-Y323 HydrophobicContact CG2-CE2 3.71Å; V68-Y323 HydrophobicContact CG2-CG 4.04Å
69	D	97.9	Very high	97.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	88.2	163.5	-176.6	-21.8	0	0	0	108.9	L71 N72 G73 L74 Y76 A112 S114 Q119	D69-L71 PolarHBondContact O-N 2.99Å; D69-L71 PolarHBondContact OD1-N 2.94Å; D69-L71 VanDerWaalsContact OD1-N 3.12Å; D69-N72 VanDerWaalsContact CG-ND2 3.33Å; D69-N72 PolarHBondContact O-N 2.8Å; D69-N72 PolarHBondContact OD1-N 3.44Å; D69-N72 PolarHBondContact OD1-ND2 3.29Å; D69-N72 VanDerWaalsContact OD1-ND2 3.08Å; D69-N72 PolarHBondContact OD2-ND2 2.83Å; D69-G73 PolarHBondContact O-N 3.43Å; D69-L74 HydrophobicContact CB-CB 4.22Å; D69-L74 PolarHBondContact N-O 3.01Å; D69-L74 PolarHBondContact O-N 3.13Å; D69-Y76 HydrophobicContact CB-CE2 4.07Å; D69-A112 HydrophobicContact CB-CB 4.06Å; D69-S114 WeakPolarHBondContact OD1-CB 3.46Å; D69-S114 PolarHBondContact OD1-OG 2.93Å; D69-S114 WeakPolarHBondContact OD2-CB 3.23Å; D69-S114 PolarHBondContact OD2-OG 2.64Å; D69-Q119 WeakPolarHBondContact OD2-CG 3.45Å; D69-Q119 PolarHBondContact OD2-NE2 3.45Å
70	S	95.9	Very high	97.7	Very high	16 Å²	16	20.5 Å²	20.5	11%	0.112	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.1	-179.4	-61.1	0	0	0	0	114.9	V68 D316 R317 K318	V68-S70 PolarHBondContact O-N 2.77Å; S70-D316 WeakPolarHBondContact CB-OD1 3.48Å; S70-D316 WeakPolarHBondContact OG-CA 3.44Å; S70-D316 PolarHBondContact OG-OD1 2.94Å; S70-R317 PolarHBondContact OG-N 2.8Å; S70-K318 WeakPolarHBondContact O-CD 3.4Å
71	L	95.9	Very high	97.6	Very high	89 Å²	89	18 Å²	18	47%	0.466	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-41	177.8	-178.4	61.9	0	0	0	110.4	D69 T115 L116	D69-L71 PolarHBondContact O-N 2.99Å; D69-L71 PolarHBondContact OD1-N 2.94Å; D69-L71 VanDerWaalsContact OD1-N 3.12Å; L71-T115 VanDerWaalsContact CD2-C 3.42Å; L71-T115 WeakPolarHBondContact CD2-O 3.44Å; L71-L116 HydrophobicContact CD1-CD2 4.25Å; L71-L116 HydrophobicContact CD2-CD2 4.35Å
72	N	95.9	Very high	97.4	Very high	81 Å²	81	24.4 Å²	24.4	43%	0.433	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-4.2	-176	-62	-75.1	0	0	0	114.1	D69 L74 Q119	D69-N72 VanDerWaalsContact CG-ND2 3.33Å; D69-N72 PolarHBondContact O-N 2.8Å; D69-N72 PolarHBondContact OD1-N 3.44Å; D69-N72 PolarHBondContact OD1-ND2 3.29Å; D69-N72 VanDerWaalsContact OD1-ND2 3.08Å; D69-N72 PolarHBondContact OD2-ND2 2.83Å; N72-L74 HydrophobicContact CB-CD1 4.31Å; N72-L74 HydrophobicContact CB-CG 4.26Å; N72-Q119 PolarHBondContact ND2-NE2 2.9Å
73	G	96.6	Very high	97.1	Very high	14 Å²	14	30.8 Å²	30.8	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	31.6	176.9	0	0	0	0	0	114.2	D69 T91 E92	D69-G73 PolarHBondContact O-N 3.43Å; G73-T91 CarbonylContact O-C 3.6Å; G73-T91 WeakPolarHBondContact O-CA 3.47Å; G73-E92 VanDerWaalsContact CA-CD 3.49Å; G73-E92 WeakPolarHBondContact CA-OE1 3.36Å; G73-E92 PolarHBondContact O-N 3.29Å
74	L	98.2	Very high	97	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.9	-172.5	-57.8	-180	0	0	0	112.3	D69 N72 Y76 V89 F90 L97	D69-L74 HydrophobicContact CB-CB 4.22Å; D69-L74 PolarHBondContact N-O 3.01Å; D69-L74 PolarHBondContact O-N 3.13Å; N72-L74 HydrophobicContact CB-CD1 4.31Å; N72-L74 HydrophobicContact CB-CG 4.26Å; L74-Y76 HydrophobicContact CB-CD2 4.38Å; L74-Y76 HydrophobicContact CB-CE2 3.67Å; L74-Y76 HydrophobicContact CD1-CE2 4.26Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.46Å; L74-V89 HydrophobicContact CB-CG1 4.37Å; L74-V89 HydrophobicContact CD2-CG1 4.49Å; L74-F90 WeakPolarHBondContact CA-O 3.48Å; L74-L97 HydrophobicContact CD2-CD1 3.49Å; L74-L97 VanDerWaalsContact CD2-CD1 3.49Å
75	V	98.8	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.5	175.5	-175.2	0	0	0	0	108.7	W52 V66 A67 I77 V89 F90 E92 Y323	W52-V75 HydrophobicContact CH2-CG1 4.02Å; W52-V75 HydrophobicContact CZ2-CB 4.03Å; W52-V75 HydrophobicContact CZ2-CG1 3.8Å; W52-V75 HydrophobicContact CZ2-CG2 4.13Å; V66-V75 HydrophobicContact CG2-CG1 3.63Å; A67-V75 WeakPolarHBondContact O-CA 3.38Å; V75-I77 HydrophobicContact CG1-CG1 4.25Å; V75-V89 WeakPolarHBondContact O-CA 3.27Å; V75-F90 HydrophobicContact CB-CB 4.49Å; V75-F90 PolarHBondContact N-O 2.85Å; V75-F90 PolarHBondContact O-N 3.48Å; V75-E92 HydrophobicContact CG2-CG 4.47Å; V75-Y323 HydrophobicContact CG1-CD1 4.01Å; V75-Y323 HydrophobicContact CG1-CE1 4.27Å; V75-Y323 HydrophobicContact CG1-CG 4.4Å; V75-Y323 HydrophobicContact CG2-CD1 4.22Å; V75-Y323 HydrophobicContact CG2-CE1 3.67Å; V75-Y323 HydrophobicContact CG2-CE2 4.32Å
76	Y	98.8	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.6	-178.9	-65.4	-96.9	0	0	0	109.5	V66 A67 D69 L74 L88 V89 W100 A112 I121	V66-Y76 CarbonylContact C-O 3.47Å; V66-Y76 VanDerWaalsContact CA-O 3.26Å; V66-Y76 WeakPolarHBondContact CA-O 3.34Å; A67-Y76 PolarHBondContact N-O 3.33Å; A67-Y76 PolarHBondContact O-N 2.86Å; D69-Y76 HydrophobicContact CB-CE2 4.07Å; L74-Y76 HydrophobicContact CB-CD2 4.38Å; L74-Y76 HydrophobicContact CB-CE2 3.67Å; L74-Y76 HydrophobicContact CD1-CE2 4.26Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.46Å; Y76-L88 WeakPolarHBondContact CA-O 3.21Å; Y76-V89 HydrophobicContact CD1-CB 4.43Å; Y76-V89 HydrophobicContact CD1-CG1 4.15Å; Y76-V89 HydrophobicContact CD1-CG2 3.56Å; Y76-V89 HydrophobicContact CE1-CB 4.42Å; Y76-V89 HydrophobicContact CE1-CG1 3.9Å; Y76-V89 HydrophobicContact CE1-CG2 3.58Å; Y76-W100 AromaticContact CD1-CH2 3.81Å; Y76-W100 HydrophobicContact CD1-CH2 3.81Å; Y76-W100 HydrophobicContact CD1-CZ3 4.47Å; Y76-W100 AromaticContact CE1-CH2 3.82Å; Y76-W100 HydrophobicContact CE1-CH2 3.82Å; Y76-W100 HydrophobicContact CE1-CZ3 4.35Å; Y76-A112 HydrophobicContact CD2-CB 4.33Å; Y76-I121 HydrophobicContact CD1-CD1 4.04Å; Y76-I121 HydrophobicContact CD1-CG1 4.03Å; Y76-I121 HydrophobicContact CD1-CG2 4.32Å; Y76-I121 HydrophobicContact CD2-CD1 3.81Å; Y76-I121 HydrophobicContact CE1-CD1 3.72Å; Y76-I121 HydrophobicContact CE1-CG1 3.66Å; Y76-I121 HydrophobicContact CE2-CD1 3.47Å; Y76-I121 VanDerWaalsContact CE2-CD1 3.47Å; Y76-I121 HydrophobicContact CE2-CG1 4.35Å; Y76-I121 HydrophobicContact CG-CD1 4.09Å; Y76-I121 VanDerWaalsContact CZ-CD1 3.41Å
77	I	98.8	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.2	-172.8	-60.4	170.9	0	0	0	109.2	W52 F59 T63 C65 V66 V75 I87 L88 F90 V332	W52-I77 HydrophobicContact CH2-CD1 3.97Å; F59-I77 HydrophobicContact CE1-CD1 3.59Å; F59-I77 HydrophobicContact CE1-CG2 4.41Å; F59-I77 HydrophobicContact CZ-CD1 3.93Å; T63-I77 HydrophobicContact CG2-CG2 3.89Å; C65-I77 WeakPolarHBondContact O-CA 3.35Å; V66-I77 HydrophobicContact CG2-CG1 4.14Å; V75-I77 HydrophobicContact CG1-CG1 4.25Å; I77-I87 CarbonylContact O-C 3.24Å; I77-I87 VanDerWaalsContact O-CA 3.3Å; I77-I87 WeakPolarHBondContact O-CA 3.23Å; I77-L88 HydrophobicContact CB-CB 4.35Å; I77-L88 PolarHBondContact N-O 3.21Å; I77-L88 PolarHBondContact O-N 3.18Å; I77-F90 HydrophobicContact CD1-CD2 3.68Å; I77-F90 HydrophobicContact CD1-CE2 3.73Å; I77-V332 HydrophobicContact CB-CG2 4.31Å; I77-V332 HydrophobicContact CD1-CB 3.95Å; I77-V332 HydrophobicContact CD1-CG1 4.41Å; I77-V332 HydrophobicContact CD1-CG2 3.72Å; I77-V332 HydrophobicContact CG1-CB 4.49Å; I77-V332 HydrophobicContact CG1-CG2 3.89Å; I77-V332 HydrophobicContact CG2-CG2 3.5Å
78	G	98.5	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.6	171.4	0	0	0	0	0	111.2	F64 C65 K86	F64-G78 PolarHBondContact N-O 3.47Å; C65-G78 PolarHBondContact N-O 2.84Å; C65-G78 PolarHBondContact O-N 2.82Å; G78-K86 CarbonylContact C-O 3.58Å; G78-K86 WeakPolarHBondContact CA-O 3.44Å
79	Q	97.9	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.4	176.7	63.2	174.1	0.1	0	0	112.6	T60 T62 T63 I84 P85 K86	T60-Q79 PolarHBondContact OG1-NE2 2.74Å; T60-Q79 VanDerWaalsContact OG1-NE2 3.09Å; T62-Q79 CarbonylContact O-C 3.46Å; T62-Q79 VanDerWaalsContact O-CA 3.32Å; T62-Q79 WeakPolarHBondContact O-CA 3.44Å; T63-Q79 HydrophobicContact CG2-CB 4.31Å; Q79-I84 HydrophobicContact CG-CD1 3.98Å; Q79-P85 VanDerWaalsContact CG-O 3.32Å; Q79-P85 WeakPolarHBondContact CG-O 2.84Å; Q79-P85 PolarHBondContact NE2-O 3.44Å; Q79-K86 PolarHBondContact N-O 3.3Å
80	R	97.3	Very high	96.9	Very high	49 Å²	49	33.7 Å²	33.7	19%	0.185	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.3	-178.7	-63.6	-179.5	177.3	-168.3	-3.5	111.3	G61 T62 F64 T106 P107 H108 V126	G61-R80 CarbonylContact C-O 3.56Å; G61-R80 WeakPolarHBondContact CA-O 3.12Å; T62-R80 PolarHBondContact N-O 3.4Å; T62-R80 PolarHBondContact O-N 2.83Å; F64-R80 HydrophobicContact CB-CG 4.17Å; F64-R80 VanDerWaalsContact CD1-NH2 3.34Å; F64-R80 HydrophobicContact CD2-CG 4.41Å; F64-R80 HydrophobicContact CG-CG 4.33Å; F64-R80 VanDerWaalsContact CZ-CZ 3.48Å; R80-T106 HydrophobicContact CG-CG2 4.1Å; R80-P107 PolarHBondContact NE-O 2.87Å; R80-P107 PolarHBondContact NH2-O 3.08Å; R80-H108 VanDerWaalsContact NH2-CA 3.34Å; R80-H108 VanDerWaalsContact NH2-CB 3.31Å; R80-H108 PolarHBondContact NH2-CD2 3.38Å; R80-H108 VanDerWaalsContact NH2-CD2 3.3Å; R80-V126 VanDerWaalsContact NH2-CG2 3.32Å
81	G	95.2	Very high	97	Very high	29 Å²	29	34.3 Å²	34.3	30%	0.299	19%	0.192	S	C	.	.			trans	151.2	166	-177.6	0	0	0	0	0	111.2	K86	G81-K86 PolarHBondContact O-NZ 2.93Å
82	D	92.3	Very high	97.1	Very high	141 Å²	141	31 Å²	31	75%	0.754	17%	0.174	S	C	*	.	S	Bend	trans	-92	142.1	-179	-60.2	-34.9	0	0	0	111	I84	D82-I84 PolarHBondContact O-N 3.12Å; D82-I84 VanDerWaalsContact O-N 3.1Å
83	N	91.9	Very high	97.1	Very high	171 Å²	171	32.4 Å²	32.4	91%	0.914	18%	0.182	S	C	*	.	S	Bend	trans	56.6	22.5	176.9	-54.6	-56.4	0	0	0	115.8
84	I	95.6	Very high	97.2	Very high	23 Å²	23	31.8 Å²	31.8	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-107.1	163.2	174.6	61.3	170.4	0	0	0	112	Q79 D82 N101	Q79-I84 HydrophobicContact CG-CD1 3.98Å; D82-I84 PolarHBondContact O-N 3.12Å; D82-I84 VanDerWaalsContact O-N 3.1Å; I84-N101 PolarHBondContact O-ND2 2.85Å
85	P	96.1	Very high	97.2	Very high	49 Å²	49	37 Å²	37	32%	0.318	19%	0.194	S	C	.	.			trans	-61.7	136.4	160.5	-15.1	29.6	0	0	0	109.6	Q79 L88 A99	Q79-P85 VanDerWaalsContact CG-O 3.32Å; Q79-P85 WeakPolarHBondContact CG-O 2.84Å; Q79-P85 PolarHBondContact NE2-O 3.44Å; P85-L88 HydrophobicContact CB-CD2 4.08Å; P85-A99 HydrophobicContact CB-CB 3.61Å; P85-A99 HydrophobicContact CG-CB 4.23Å
86	K	97.3	Very high	97.2	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	21%	0.206	C	C	.	.	S	Bend	trans	-93.3	-34.6	-174.3	-61.1	-78.6	-172.8	168.2	0	111.4	G78 Q79 G81 W100 N101 V104 D105	G78-K86 CarbonylContact C-O 3.58Å; G78-K86 WeakPolarHBondContact CA-O 3.44Å; Q79-K86 PolarHBondContact N-O 3.3Å; G81-K86 PolarHBondContact O-NZ 2.93Å; K86-W100 PolarHBondContact N-O 3.05Å; K86-N101 HydrophobicContact CB-CB 4.05Å; K86-N101 HydrophobicContact CG-CB 3.58Å; K86-V104 HydrophobicContact CB-CB 4.04Å; K86-V104 HydrophobicContact CB-CG1 3.86Å; K86-V104 HydrophobicContact CG-CB 4.38Å; K86-V104 HydrophobicContact CG-CG1 4.37Å; K86-D105 WeakPolarHBondContact CD-O 3.43Å; K86-D105 WeakPolarHBondContact CE-O 3.24Å; K86-D105 PolarHBondContact NZ-O 3.11Å
87	I	98.4	Very high	97.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	174.8	-46.9	-59.8	0	0	0	109	I77 A99 W100 V104 P107 I110 I123	I77-I87 CarbonylContact O-C 3.24Å; I77-I87 VanDerWaalsContact O-CA 3.3Å; I77-I87 WeakPolarHBondContact O-CA 3.23Å; I87-A99 CarbonylContact O-C 3.52Å; I87-A99 WeakPolarHBondContact O-CA 3.28Å; I87-A99 VanDerWaalsContact O-CB 3.25Å; I87-A99 WeakPolarHBondContact O-CB 3.37Å; I87-W100 HydrophobicContact CB-CD2 3.89Å; I87-W100 HydrophobicContact CB-CE3 4.36Å; I87-W100 HydrophobicContact CB-CG 4.36Å; I87-W100 HydrophobicContact CB-CH2 4.35Å; I87-W100 HydrophobicContact CB-CZ2 3.85Å; I87-W100 HydrophobicContact CG1-CD2 4.42Å; I87-W100 HydrophobicContact CG1-CZ2 4.09Å; I87-W100 HydrophobicContact CG2-CD2 4.29Å; I87-W100 HydrophobicContact CG2-CE3 4.41Å; I87-W100 HydrophobicContact CG2-CH2 3.69Å; I87-W100 HydrophobicContact CG2-CZ2 3.53Å; I87-W100 HydrophobicContact CG2-CZ3 4.15Å; I87-W100 PolarHBondContact N-O 2.52Å; I87-W100 PolarHBondContact O-N 3.3Å; I87-V104 HydrophobicContact CD1-CG1 4.42Å; I87-V104 HydrophobicContact CG1-CG2 4.28Å; I87-P107 HydrophobicContact CD1-CB 4.37Å; I87-I110 HydrophobicContact CD1-CD1 4.29Å; I87-I110 HydrophobicContact CG2-CD1 4.17Å; I87-I123 HydrophobicContact CD1-CD1 3.53Å; I87-I123 HydrophobicContact CD1-CG1 4.32Å; I87-I123 HydrophobicContact CG1-CD1 3.73Å
88	L	98.6	Very high	97.1	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150	172.2	-49.9	175.4	0	0	0	109.3	Y58 F59 Y76 I77 P85 F90 F96 A99	Y58-L88 WeakPolarHBondContact O-CD1 3.34Å; F59-L88 HydrophobicContact CD1-CD1 3.73Å; F59-L88 HydrophobicContact CE1-CD1 4.12Å; Y76-L88 WeakPolarHBondContact CA-O 3.21Å; I77-L88 HydrophobicContact CB-CB 4.35Å; I77-L88 PolarHBondContact N-O 3.21Å; I77-L88 PolarHBondContact O-N 3.18Å; P85-L88 HydrophobicContact CB-CD2 4.08Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.69Å; L88-F90 HydrophobicContact CD1-CE2 4.02Å; L88-F90 HydrophobicContact CD1-CZ 4.44Å; L88-F96 HydrophobicContact CB-CE2 4.37Å; L88-F96 HydrophobicContact CD2-CE2 4.17Å; L88-A99 HydrophobicContact CD2-CB 3.65Å
89	V	98.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131	173.6	-167.2	0	0	0	0	110.5	L74 V75 Y76 L97 R98 W100	L74-V89 HydrophobicContact CB-CG1 4.37Å; L74-V89 HydrophobicContact CD2-CG1 4.49Å; V75-V89 WeakPolarHBondContact O-CA 3.27Å; Y76-V89 HydrophobicContact CD1-CB 4.43Å; Y76-V89 HydrophobicContact CD1-CG1 4.15Å; Y76-V89 HydrophobicContact CD1-CG2 3.56Å; Y76-V89 HydrophobicContact CE1-CB 4.42Å; Y76-V89 HydrophobicContact CE1-CG1 3.9Å; Y76-V89 HydrophobicContact CE1-CG2 3.58Å; V89-L97 HydrophobicContact CG1-CD1 4.36Å; V89-L97 PolarHBondContact O-N 2.83Å; V89-R98 HydrophobicContact CB-CG 3.9Å; V89-R98 HydrophobicContact CG2-CG 3.79Å; V89-R98 PolarHBondContact N-O 3.13Å; V89-W100 HydrophobicContact CG2-CE3 4.32Å; V89-W100 HydrophobicContact CG2-CH2 4Å; V89-W100 HydrophobicContact CG2-CZ3 3.4Å; V89-W100 VanDerWaalsContact CG2-CZ3 3.4Å
90	F	98.8	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	166.6	176.1	-65.9	-103.3	0	0	0	110.5	W52 P53 Y58 F59 L74 V75 I77 L88 Y95 F96	W52-F90 HydrophobicContact CZ2-CB 4.42Å; P53-F90 HydrophobicContact CB-CD1 4.26Å; P53-F90 HydrophobicContact CB-CE1 4.05Å; Y58-F90 HydrophobicContact CD2-CE1 4.31Å; Y58-F90 HydrophobicContact CD2-CZ 4.46Å; F59-F90 AromaticContact CE1-CE2 3.91Å; F59-F90 HydrophobicContact CE1-CE2 3.91Å; F59-F90 AromaticContact CE1-CZ 3.91Å; F59-F90 HydrophobicContact CE1-CZ 3.91Å; F59-F90 HydrophobicContact CZ-CZ 4.44Å; L74-F90 WeakPolarHBondContact CA-O 3.48Å; V75-F90 HydrophobicContact CB-CB 4.49Å; V75-F90 PolarHBondContact N-O 2.85Å; V75-F90 PolarHBondContact O-N 3.48Å; I77-F90 HydrophobicContact CD1-CD2 3.68Å; I77-F90 HydrophobicContact CD1-CE2 3.73Å; L88-F90 HydrophobicContact CB-CD2 4.3Å; L88-F90 HydrophobicContact CB-CE2 3.69Å; L88-F90 HydrophobicContact CD1-CE2 4.02Å; L88-F90 HydrophobicContact CD1-CZ 4.44Å; F90-Y95 CarbonylContact C-O 3.57Å; F90-Y95 WeakPolarHBondContact CA-O 3.44Å; F90-F96 HydrophobicContact CD1-CB 4.01Å; F90-F96 HydrophobicContact CE1-CB 3.77Å; F90-F96 HydrophobicContact CE1-CD2 4.18Å; F90-F96 HydrophobicContact CE1-CG 4.48Å; F90-F96 HydrophobicContact CE2-CD2 4.14Å; F90-F96 HydrophobicContact CZ-CB 4.36Å; F90-F96 AromaticContact CZ-CD2 3.93Å; F90-F96 HydrophobicContact CZ-CD2 3.93Å
91	T	98.4	Very high	96.6	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.172	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	162.4	161.7	65	0	0	0	0	111.5	W52 G73 D93 G94 Y95 L97	W52-T91 PolarHBondContact NE1-O 3.46Å; G73-T91 CarbonylContact O-C 3.6Å; G73-T91 WeakPolarHBondContact O-CA 3.47Å; T91-D93 PolarHBondContact O-N 3.22Å; T91-D93 VanDerWaalsContact O-N 3.17Å; T91-D93 PolarHBondContact OG1-N 3.12Å; T91-G94 PolarHBondContact O-N 3.5Å; T91-G94 PolarHBondContact OG1-N 2.81Å; T91-Y95 PolarHBondContact N-O 3.13Å; T91-Y95 PolarHBondContact OG1-N 2.87Å; T91-Y95 VanDerWaalsContact OG1-N 3.15Å; T91-L97 HydrophobicContact CG2-CD1 3.94Å; T91-L97 HydrophobicContact CG2-CD2 3.99Å; T91-L97 HydrophobicContact CG2-CG 4.13Å
92	E	97.1	Very high	96.1	Very high	21 Å²	21	56.6 Å²	56.6	10%	0.098	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.4	166.1	-78.4	172.2	-178.4	0	0	112.9	W52 G73 V75 K318 K334	W52-E92 PolarHBondContact NE1-O 2.96Å; G73-E92 VanDerWaalsContact CA-CD 3.49Å; G73-E92 WeakPolarHBondContact CA-OE1 3.36Å; G73-E92 PolarHBondContact O-N 3.29Å; V75-E92 HydrophobicContact CG2-CG 4.47Å; E92-K318 IonicContact OE2-NZ 3.71Å; E92-K334 PolarHBondContact O-NZ 3.2Å
93	D	97.1	Very high	96.1	Very high	110 Å²	110	51.3 Å²	51.3	59%	0.588	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.4	174.6	-58.7	-51.5	0	0	0	114	K54 T91 Y95	K54-D93 VanDerWaalsContact CE-O 3.23Å; K54-D93 WeakPolarHBondContact CE-O 3.25Å; T91-D93 PolarHBondContact O-N 3.22Å; T91-D93 VanDerWaalsContact O-N 3.17Å; T91-D93 PolarHBondContact OG1-N 3.12Å; D93-Y95 HydrophobicContact CB-CD2 4.06Å; D93-Y95 HydrophobicContact CB-CE2 4.19Å
94	G	98.1	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.			trans	93.2	14.6	171.1	0	0	0	0	0	116	K54 T91	K54-G94 WeakPolarHBondContact CB-O 3.5Å; K54-G94 PolarHBondContact N-O 3.49Å; T91-G94 PolarHBondContact O-N 3.5Å; T91-G94 PolarHBondContact OG1-N 2.81Å
95	Y	98.4	Very high	96.3	Very high	130 Å²	130	44 Å²	44	51%	0.51	21%	0.214	S	C	.	.			trans	-83.3	129.4	172.6	-66.8	-80.2	0	0	0	110.6	K54 F90 T91 D93	K54-Y95 HydrophobicContact CG-CD1 4.17Å; K54-Y95 HydrophobicContact CG-CD2 4.47Å; K54-Y95 HydrophobicContact CG-CE1 4Å; K54-Y95 HydrophobicContact CG-CE2 4.32Å; K54-Y95 HydrophobicContact CG-CG 4.4Å; F90-Y95 CarbonylContact C-O 3.57Å; F90-Y95 WeakPolarHBondContact CA-O 3.44Å; T91-Y95 PolarHBondContact N-O 3.13Å; T91-Y95 PolarHBondContact OG1-N 2.87Å; T91-Y95 VanDerWaalsContact OG1-N 3.15Å; D93-Y95 HydrophobicContact CB-CD2 4.06Å; D93-Y95 HydrophobicContact CB-CE2 4.19Å
96	F	98.5	Very high	96.3	Very high	60 Å²	60	43.5 Å²	43.5	26%	0.263	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.4	173.2	176.1	-102.5	0	0	0	111	Y58 L88 F90 R98 A99	Y58-F96 HydrophobicContact CD1-CD1 4.05Å; Y58-F96 HydrophobicContact CD1-CD2 4.17Å; Y58-F96 HydrophobicContact CD1-CE1 4.22Å; Y58-F96 HydrophobicContact CD1-CE2 4.34Å; Y58-F96 HydrophobicContact CD1-CG 4.01Å; Y58-F96 HydrophobicContact CD1-CZ 4.36Å; Y58-F96 HydrophobicContact CD2-CB 3.58Å; Y58-F96 HydrophobicContact CD2-CD1 4.43Å; Y58-F96 HydrophobicContact CD2-CD2 4.25Å; Y58-F96 AromaticContact CD2-CG 3.84Å; Y58-F96 HydrophobicContact CD2-CG 3.84Å; Y58-F96 AromaticContact CE1-CD1 3.63Å; Y58-F96 HydrophobicContact CE1-CD1 3.63Å; Y58-F96 AromaticContact CE1-CE1 3.92Å; Y58-F96 HydrophobicContact CE1-CE1 3.92Å; Y58-F96 AromaticContact CE1-CG 3.98Å; Y58-F96 HydrophobicContact CE1-CG 3.98Å; Y58-F96 HydrophobicContact CE1-CZ 4.49Å; Y58-F96 HydrophobicContact CE2-CB 3.44Å; Y58-F96 VanDerWaalsContact CE2-CB 3.44Å; Y58-F96 HydrophobicContact CE2-CD1 4.07Å; Y58-F96 AromaticContact CE2-CG 3.82Å; Y58-F96 HydrophobicContact CE2-CG 3.82Å; Y58-F96 HydrophobicContact CG-CB 4.2Å; Y58-F96 HydrophobicContact CG-CD1 4.44Å; Y58-F96 HydrophobicContact CG-CD2 4.01Å; Y58-F96 AromaticContact CG-CG 3.95Å; Y58-F96 HydrophobicContact CG-CG 3.95Å; Y58-F96 AromaticContact CZ-CD1 3.65Å; Y58-F96 AromaticContact CZ-CG 3.89Å; L88-F96 HydrophobicContact CB-CE2 4.37Å; L88-F96 HydrophobicContact CD2-CE2 4.17Å; F90-F96 HydrophobicContact CD1-CB 4.01Å; F90-F96 HydrophobicContact CE1-CB 3.77Å; F90-F96 HydrophobicContact CE1-CD2 4.18Å; F90-F96 HydrophobicContact CE1-CG 4.48Å; F90-F96 HydrophobicContact CE2-CD2 4.14Å; F90-F96 HydrophobicContact CZ-CB 4.36Å; F90-F96 AromaticContact CZ-CD2 3.93Å; F90-F96 HydrophobicContact CZ-CD2 3.93Å; F96-R98 VanDerWaalsContact CE2-O 3.22Å; F96-R98 WeakPolarHBondContact CE2-O 3.4Å; F96-R98 VanDerWaalsContact CZ-C 3.43Å; F96-A99 HydrophobicContact CE2-CB 4.13Å; F96-A99 HydrophobicContact CZ-CB 3.93Å
97	L	98	Very high	96.4	Very high	82 Å²	82	42.4 Å²	42.4	43%	0.429	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-50.9	-178.1	-61.3	179.7	0	0	0	113.3	L74 V89 T91	L74-L97 HydrophobicContact CD2-CD1 3.49Å; L74-L97 VanDerWaalsContact CD2-CD1 3.49Å; V89-L97 HydrophobicContact CG1-CD1 4.36Å; V89-L97 PolarHBondContact O-N 2.83Å; T91-L97 HydrophobicContact CG2-CD1 3.94Å; T91-L97 HydrophobicContact CG2-CD2 3.99Å; T91-L97 HydrophobicContact CG2-CG 4.13Å
98	R	97.2	Very high	96.3	Very high	61 Å²	61	42.4 Å²	42.4	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	167.8	-174	62.4	-176.2	172.2	-73.1	2.1	111.6	V89 F96 S140	V89-R98 HydrophobicContact CB-CG 3.9Å; V89-R98 HydrophobicContact CG2-CG 3.79Å; V89-R98 PolarHBondContact N-O 3.13Å; F96-R98 VanDerWaalsContact CE2-O 3.22Å; F96-R98 WeakPolarHBondContact CE2-O 3.4Å; F96-R98 VanDerWaalsContact CZ-C 3.43Å; R98-S140 PolarHBondContact NE-O 2.57Å; R98-S140 PolarHBondContact NH2-O 2.89Å
99	A	97.4	Very high	96.3	Very high	36 Å²	36	42.2 Å²	42.2	30%	0.298	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.2	173.8	0	0	0	0	0	111.7	P85 I87 L88 F96	P85-A99 HydrophobicContact CB-CB 3.61Å; P85-A99 HydrophobicContact CG-CB 4.23Å; I87-A99 CarbonylContact O-C 3.52Å; I87-A99 WeakPolarHBondContact O-CA 3.28Å; I87-A99 VanDerWaalsContact O-CB 3.25Å; I87-A99 WeakPolarHBondContact O-CB 3.37Å; L88-A99 HydrophobicContact CD2-CB 3.65Å; F96-A99 HydrophobicContact CE2-CB 4.13Å; F96-A99 HydrophobicContact CZ-CB 3.93Å
100	W	95.9	Very high	96.3	Very high	12 Å²	12	42.3 Å²	42.3	5%	0.045	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.1	173.4	68.7	93.5	0	0	0	112.8	Y76 K86 I87 V89 Y102	Y76-W100 AromaticContact CD1-CH2 3.81Å; Y76-W100 HydrophobicContact CD1-CH2 3.81Å; Y76-W100 HydrophobicContact CD1-CZ3 4.47Å; Y76-W100 AromaticContact CE1-CH2 3.82Å; Y76-W100 HydrophobicContact CE1-CH2 3.82Å; Y76-W100 HydrophobicContact CE1-CZ3 4.35Å; K86-W100 PolarHBondContact N-O 3.05Å; I87-W100 HydrophobicContact CB-CD2 3.89Å; I87-W100 HydrophobicContact CB-CE3 4.36Å; I87-W100 HydrophobicContact CB-CG 4.36Å; I87-W100 HydrophobicContact CB-CH2 4.35Å; I87-W100 HydrophobicContact CB-CZ2 3.85Å; I87-W100 HydrophobicContact CG1-CD2 4.42Å; I87-W100 HydrophobicContact CG1-CZ2 4.09Å; I87-W100 HydrophobicContact CG2-CD2 4.29Å; I87-W100 HydrophobicContact CG2-CE3 4.41Å; I87-W100 HydrophobicContact CG2-CH2 3.69Å; I87-W100 HydrophobicContact CG2-CZ2 3.53Å; I87-W100 HydrophobicContact CG2-CZ3 4.15Å; I87-W100 PolarHBondContact N-O 2.52Å; I87-W100 PolarHBondContact O-N 3.3Å; V89-W100 HydrophobicContact CG2-CE3 4.32Å; V89-W100 HydrophobicContact CG2-CH2 4Å; V89-W100 HydrophobicContact CG2-CZ3 3.4Å; V89-W100 VanDerWaalsContact CG2-CZ3 3.4Å; W100-Y102 HydrophobicContact CB-CD2 4.47Å; W100-Y102 HydrophobicContact CB-CE2 4.4Å
101	N	89.8	Confident	96.3	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	21%	0.205	S	C	.	.			trans	-150	-13.7	177.9	58.5	2.8	0	0	0	116.4	I84 K86 T103 V104	I84-N101 PolarHBondContact O-ND2 2.85Å; K86-N101 HydrophobicContact CB-CB 4.05Å; K86-N101 HydrophobicContact CG-CB 3.58Å; N101-T103 PolarHBondContact O-N 2.84Å; N101-V104 PolarHBondContact O-N 3.35Å; N101-V104 VanDerWaalsContact O-N 3.07Å
102	Y	83.8	Confident	96.3	Very high	185 Å²	185	41.7 Å²	41.7	73%	0.725	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	-156.7	-50.3	-72.9	0	0	0	117.4	W100 F131	W100-Y102 HydrophobicContact CB-CD2 4.47Å; W100-Y102 HydrophobicContact CB-CE2 4.4Å; Y102-F131 WeakPolarHBondContact O-CE2 3.19Å
103	T	93.8	Very high	96.3	Very high	29 Å²	29	41.5 Å²	41.5	18%	0.178	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	18.5	-178.5	52.3	0	0	0	0	112.8	N101 F131 K136 Y138 L144	N101-T103 PolarHBondContact O-N 2.84Å; T103-F131 HydrophobicContact CG2-CD1 4.48Å; T103-F131 HydrophobicContact CG2-CE1 3.96Å; T103-F131 HydrophobicContact CG2-CZ 4.22Å; T103-F131 WeakPolarHBondContact O-CB 3.22Å; T103-K136 PolarHBondContact O-NZ 2.9Å; T103-Y138 PolarHBondContact O-OH 3.17Å; T103-Y138 WeakPolarHBondContact OG1-CE1 3.16Å; T103-Y138 PolarHBondContact OG1-OH 2.85Å; T103-L144 HydrophobicContact CG2-CD2 4.07Å
104	V	95.8	Very high	96.2	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	18%	0.184	C	C	.	.			trans	-118.9	121	177.6	-179.5	0	0	0	0	108.7	K86 I87 N101 P107 I123 D125 Y138	K86-V104 HydrophobicContact CB-CB 4.04Å; K86-V104 HydrophobicContact CB-CG1 3.86Å; K86-V104 HydrophobicContact CG-CB 4.38Å; K86-V104 HydrophobicContact CG-CG1 4.37Å; I87-V104 HydrophobicContact CD1-CG1 4.42Å; I87-V104 HydrophobicContact CG1-CG2 4.28Å; N101-V104 PolarHBondContact O-N 3.35Å; N101-V104 VanDerWaalsContact O-N 3.07Å; V104-P107 HydrophobicContact CG1-CB 3.93Å; V104-P107 HydrophobicContact CG1-CG 4Å; V104-I123 HydrophobicContact CG2-CD1 4.17Å; V104-D125 WeakPolarHBondContact CA-OD2 3.44Å; V104-Y138 VanDerWaalsContact CG2-OH 3.3Å; V104-Y138 WeakPolarHBondContact CG2-OH 3.33Å
105	D	95.1	Very high	95.8	Very high	37 Å²	37	40.2 Å²	40.2	20%	0.198	20%	0.2	C	C	.	.	S	Bend	trans	-91.1	-71.9	177.6	178.3	1.2	0	0	0	110	K86 D125 G127 G129 F131	K86-D105 WeakPolarHBondContact CD-O 3.43Å; K86-D105 WeakPolarHBondContact CE-O 3.24Å; K86-D105 PolarHBondContact NZ-O 3.11Å; D105-D125 PolarHBondContact N-OD2 2.87Å; D105-G127 WeakPolarHBondContact OD2-CA 3.38Å; D105-G129 WeakPolarHBondContact OD2-CA 3.38Å; D105-G129 PolarHBondContact OD2-N 2.94Å; D105-F131 HydrophobicContact CB-CB 4.28Å
106	T	97.1	Very high	95.3	Very high	37 Å²	37	40.5 Å²	40.5	23%	0.227	21%	0.21	C	C	.	.	S	Bend	trans	-133.6	90.4	-178.2	-62.2	0	0	0	0	109.4	R80 H108 D125 V126	R80-T106 HydrophobicContact CG-CG2 4.1Å; T106-H108 PolarHBondContact O-N 2.64Å; T106-D125 PolarHBondContact N-OD1 3.46Å; T106-V126 HydrophobicContact CG2-CG2 3.91Å; T106-V126 PolarHBondContact O-N 3.05Å
107	P	97.8	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.4	-177.7	28	-32	0	0	0	110	R80 I87 V104 I123 T124	R80-P107 PolarHBondContact NE-O 2.87Å; R80-P107 PolarHBondContact NH2-O 3.08Å; I87-P107 HydrophobicContact CD1-CB 4.37Å; V104-P107 HydrophobicContact CG1-CB 3.93Å; V104-P107 HydrophobicContact CG1-CG 4Å; P107-I123 HydrophobicContact CB-CG2 4.03Å; P107-T124 WeakPolarHBondContact CA-O 3.34Å
108	H	98.3	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-57.2	174.6	-169.5	-63	0	0	0	111.8	F64 C65 R80 T106 T124 V126 A167 D183 H217 H311 L312	F64-H108 AromaticContact CE1-CD2 3.71Å; F64-H108 AromaticContact CE1-NE2 3.75Å; C65-H108 WeakPolarHBondContact CB-O 3.17Å; R80-H108 VanDerWaalsContact NH2-CA 3.34Å; R80-H108 VanDerWaalsContact NH2-CB 3.31Å; R80-H108 PolarHBondContact NH2-CD2 3.38Å; R80-H108 VanDerWaalsContact NH2-CD2 3.3Å; T106-H108 PolarHBondContact O-N 2.64Å; H108-T124 PolarHBondContact N-O 3.12Å; H108-V126 HydrophobicContact CB-CB 4.39Å; H108-V126 HydrophobicContact CB-CG1 3.5Å; H108-V126 HydrophobicContact CB-CG2 3.98Å; H108-A167 PolarHBondContact ND1-O 2.76Å; H108-D183 IonicContact CD2-OD2 3.87Å; H108-D183 PolarHBondContact CD2-OD2 2.72Å; H108-D183 IonicContact NE2-OD1 2.85Å; H108-D183 IonicContact NE2-OD2 2.69Å; H108-D183 PolarHBondContact NE2-OD2 2.89Å; H108-H217 AromaticContact CE1-CE1 3.63Å; H108-H217 AromaticContact CE1-NE2 3.57Å; H108-H217 AromaticContact NE2-NE2 3.67Å; H108-H311 AromaticContact CE1-CE1 3.64Å; H108-H311 AromaticContact NE2-CE1 3.92Å; H108-L312 VanDerWaalsContact O-CD1 3.25Å; H108-L312 WeakPolarHBondContact O-CD1 3.24Å
109	G	98.3	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.4	173.8	0	0	0	0	0	111	I123 T124 A167	G109-I123 WeakPolarHBondContact O-CA 3.46Å; G109-T124 WeakPolarHBondContact CA-OG1 3.34Å; G109-T124 PolarHBondContact N-OG1 3.33Å; G109-T124 PolarHBondContact O-N 2.89Å; G109-A167 WeakPolarHBondContact CA-O 3.25Å; G109-A167 PolarHBondContact N-O 3.21Å
110	I	98.7	Very high	94.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.5	171.1	-171.5	169.2	0	0	0	108.7	C65 V66 A67 I87 I121 W122 I123	C65-I110 HydrophobicContact CB-CG2 3.78Å; C65-I110 VanDerWaalsContact SG-CG2 3.52Å; V66-I110 VanDerWaalsContact C-CG2 3.42Å; A67-I110 HydrophobicContact CB-CB 4.43Å; A67-I110 HydrophobicContact CB-CG1 4.1Å; A67-I110 HydrophobicContact CB-CG2 3.88Å; I87-I110 HydrophobicContact CD1-CD1 4.29Å; I87-I110 HydrophobicContact CG2-CD1 4.17Å; I110-I121 HydrophobicContact CD1-CG2 3.88Å; I110-I121 HydrophobicContact CG1-CG2 3.91Å; I110-W122 CarbonylContact C-O 3.43Å; I110-W122 VanDerWaalsContact CA-O 3.24Å; I110-W122 WeakPolarHBondContact CA-O 3.39Å; I110-I123 HydrophobicContact CB-CG1 4.35Å; I110-I123 HydrophobicContact CD1-CD1 4.31Å; I110-I123 HydrophobicContact CD1-CG1 3.99Å; I110-I123 HydrophobicContact CG1-CG1 3.83Å
111	F	98.6	Very high	94.4	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	140.1	177.8	-169.5	-98.8	0	0	0	109.9	A113 W122 L169 Y170 V171	F111-A113 HydrophobicContact CD1-CB 4.15Å; F111-A113 HydrophobicContact CE1-CB 4.1Å; F111-W122 HydrophobicContact CB-CB 4.4Å; F111-W122 PolarHBondContact N-O 3.48Å; F111-W122 PolarHBondContact O-N 3.45Å; F111-L169 HydrophobicContact CB-CD1 3.82Å; F111-L169 HydrophobicContact CB-CG 4.43Å; F111-L169 HydrophobicContact CD1-CD1 4.43Å; F111-L169 HydrophobicContact CG-CD1 4.33Å; F111-Y170 HydrophobicContact CD2-CD2 4.38Å; F111-Y170 AromaticContact CE2-CD2 3.5Å; F111-Y170 HydrophobicContact CE2-CD2 3.5Å; F111-Y170 VanDerWaalsContact CE2-CD2 3.5Å; F111-Y170 AromaticContact CE2-CE2 3.78Å; F111-Y170 HydrophobicContact CE2-CE2 3.78Å; F111-Y170 HydrophobicContact CE2-CG 4.2Å; F111-Y170 AromaticContact CZ-CD2 3.74Å; F111-Y170 HydrophobicContact CZ-CD2 3.74Å; F111-Y170 AromaticContact CZ-CE2 3.78Å; F111-Y170 HydrophobicContact CZ-CE2 3.78Å; F111-Y170 HydrophobicContact CZ-CG 4.18Å; F111-V171 HydrophobicContact CD1-CB 3.98Å; F111-V171 HydrophobicContact CD1-CG2 3.97Å; F111-V171 HydrophobicContact CE1-CB 3.78Å; F111-V171 HydrophobicContact CE1-CG2 4.29Å; F111-V171 VanDerWaalsContact CE1-N 3.34Å; F111-V171 WeakPolarHBondContact CE1-O 3.16Å
112	A	98.1	Very high	94.9	Very high	11 Å²	11	44 Å²	44	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.6	176.7	0	0	0	0	0	108.8	A67 D69 Y76 I121	A67-A112 HydrophobicContact CB-CB 4.09Å; D69-A112 HydrophobicContact CB-CB 4.06Å; Y76-A112 HydrophobicContact CD2-CB 4.33Å; A112-I121 HydrophobicContact CB-CD1 3.76Å
113	A	96.8	Very high	95.6	Very high	17 Å²	17	35.2 Å²	35.2	14%	0.14	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.8	-179.9	0	0	0	0	0	108.9	F111 S120 V171	F111-A113 HydrophobicContact CD1-CB 4.15Å; F111-A113 HydrophobicContact CE1-CB 4.1Å; A113-S120 PolarHBondContact N-O 2.91Å; A113-S120 PolarHBondContact O-N 3.13Å; A113-S120 PolarHBondContact O-OG 2.79Å; A113-V171 HydrophobicContact CB-CB 3.83Å; A113-V171 HydrophobicContact CB-CG1 3.96Å; A113-V171 HydrophobicContact CB-CG2 4.25Å
114	S	94.7	Very high	95.8	Very high	25 Å²	25	33.9 Å²	33.9	18%	0.175	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.4	-171.5	-60	0	0	0	0	111.7	D69 E118 Q119	D69-S114 WeakPolarHBondContact OD1-CB 3.46Å; D69-S114 PolarHBondContact OD1-OG 2.93Å; D69-S114 WeakPolarHBondContact OD2-CB 3.23Å; D69-S114 PolarHBondContact OD2-OG 2.64Å; S114-E118 CarbonylContact C-O 3.57Å; S114-E118 WeakPolarHBondContact CA-O 3.13Å; S114-Q119 WeakPolarHBondContact OG-CG 3.16Å
115	T	90.6	Very high	95.9	Very high	57 Å²	57	33.6 Å²	33.6	35%	0.35	17%	0.169	S	C	.	.			trans	-117.6	178.9	173.1	71.3	0	0	0	0	109.3	L71 Y117 E118	L71-T115 VanDerWaalsContact CD2-C 3.42Å; L71-T115 WeakPolarHBondContact CD2-O 3.44Å; T115-Y117 PolarHBondContact O-N 2.91Å; T115-Y117 VanDerWaalsContact O-N 3.08Å; T115-Y117 PolarHBondContact OG1-N 2.84Å; T115-E118 PolarHBondContact N-O 3.06Å; T115-E118 PolarHBondContact OG1-N 2.91Å; T115-E118 VanDerWaalsContact OG1-N 3.08Å
116	L	86.7	Confident	96	Very high	137 Å²	137	32.5 Å²	32.5	72%	0.717	16%	0.163	S	C	*	.	S	Bend	trans	-62.2	-12.4	173.6	-65.7	175.1	0	0	0	114.3	L71	L71-L116 HydrophobicContact CD1-CD2 4.25Å; L71-L116 HydrophobicContact CD2-CD2 4.35Å
117	Y	87.4	Confident	96	Very high	218 Å²	218	30.9 Å²	30.9	86%	0.855	15%	0.153	S	C	*	.	S	Bend	trans	-125.9	-20.4	-172	-50.8	-66.2	0	0	0	114.2	T115	T115-Y117 PolarHBondContact O-N 2.91Å; T115-Y117 VanDerWaalsContact O-N 3.08Å; T115-Y117 PolarHBondContact OG1-N 2.84Å
118	E	91.2	Very high	95.8	Very high	100 Å²	100	36.2 Å²	36.2	47%	0.467	19%	0.191	S	C	.	.			trans	-138	141.1	-178.7	-176.2	175.2	-171	0	0	110.8	S114 T115 K137	S114-E118 CarbonylContact C-O 3.57Å; S114-E118 WeakPolarHBondContact CA-O 3.13Å; T115-E118 PolarHBondContact N-O 3.06Å; T115-E118 PolarHBondContact OG1-N 2.91Å; T115-E118 VanDerWaalsContact OG1-N 3.08Å; E118-K137 VanDerWaalsContact OE1-CE 3.26Å; E118-K137 WeakPolarHBondContact OE1-CE 3.38Å; E118-K137 IonicContact OE1-NZ 3.54Å; E118-K137 PolarHBondContact OE1-NZ 2.82Å
119	Q	95.4	Very high	95.7	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.5	173.9	-170	-175.6	21.8	0	0	108.4	D69 N72 S114 S140	D69-Q119 WeakPolarHBondContact OD2-CG 3.45Å; D69-Q119 PolarHBondContact OD2-NE2 3.45Å; N72-Q119 PolarHBondContact ND2-NE2 2.9Å; S114-Q119 WeakPolarHBondContact OG-CG 3.16Å; Q119-S140 PolarHBondContact OE1-OG 2.78Å
120	S	97.3	Very high	95.5	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.3	-177.3	67.3	0	0	0	0	112.7	A113 W122 Y138	A113-S120 PolarHBondContact N-O 2.91Å; A113-S120 PolarHBondContact O-N 3.13Å; A113-S120 PolarHBondContact O-OG 2.79Å; S120-W122 PolarHBondContact OG-NE1 3.26Å; S120-Y138 WeakPolarHBondContact CA-O 3.3Å
121	I	98.3	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.8	178.8	-50	-55.6	0	0	0	108.6	Y76 I110 A112 I123 K137 Y138	Y76-I121 HydrophobicContact CD1-CD1 4.04Å; Y76-I121 HydrophobicContact CD1-CG1 4.03Å; Y76-I121 HydrophobicContact CD1-CG2 4.32Å; Y76-I121 HydrophobicContact CD2-CD1 3.81Å; Y76-I121 HydrophobicContact CE1-CD1 3.72Å; Y76-I121 HydrophobicContact CE1-CG1 3.66Å; Y76-I121 HydrophobicContact CE2-CD1 3.47Å; Y76-I121 VanDerWaalsContact CE2-CD1 3.47Å; Y76-I121 HydrophobicContact CE2-CG1 4.35Å; Y76-I121 HydrophobicContact CG-CD1 4.09Å; Y76-I121 VanDerWaalsContact CZ-CD1 3.41Å; I110-I121 HydrophobicContact CD1-CG2 3.88Å; I110-I121 HydrophobicContact CG1-CG2 3.91Å; A112-I121 HydrophobicContact CB-CD1 3.76Å; I121-I123 HydrophobicContact CG2-CG1 4.47Å; I121-K137 CarbonylContact O-C 3.41Å; I121-Y138 PolarHBondContact N-O 2.81Å; I121-Y138 PolarHBondContact O-N 3.37Å
122	W	98.7	Very high	95.3	Very high	6 Å²	6	48.2 Å²	48.2	2%	0.023	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.9	-176.3	-69.7	85.5	0	0	0	109.6	I110 F111 S120 V135 K136 K137 L148 L169 V171 I177 F197	I110-W122 CarbonylContact C-O 3.43Å; I110-W122 VanDerWaalsContact CA-O 3.24Å; I110-W122 WeakPolarHBondContact CA-O 3.39Å; F111-W122 HydrophobicContact CB-CB 4.4Å; F111-W122 PolarHBondContact N-O 3.48Å; F111-W122 PolarHBondContact O-N 3.45Å; S120-W122 PolarHBondContact OG-NE1 3.26Å; W122-V135 HydrophobicContact CE3-CG1 4.27Å; W122-K136 CarbonylContact C-O 3.55Å; W122-K136 WeakPolarHBondContact CA-O 3.37Å; W122-K137 HydrophobicContact CD2-CB 4.09Å; W122-K137 HydrophobicContact CD2-CG 4.1Å; W122-K137 HydrophobicContact CE3-CB 3.94Å; W122-K137 HydrophobicContact CE3-CG 4.43Å; W122-K137 HydrophobicContact CH2-CB 3.78Å; W122-K137 HydrophobicContact CH2-CD 3.8Å; W122-K137 HydrophobicContact CH2-CG 3.97Å; W122-K137 HydrophobicContact CZ2-CB 3.95Å; W122-K137 HydrophobicContact CZ2-CD 3.41Å; W122-K137 VanDerWaalsContact CZ2-CD 3.41Å; W122-K137 HydrophobicContact CZ2-CG 3.61Å; W122-K137 HydrophobicContact CZ3-CB 3.78Å; W122-K137 HydrophobicContact CZ3-CG 4.37Å; W122-L148 HydrophobicContact CZ3-CD1 4.3Å; W122-L169 HydrophobicContact CB-CD1 3.65Å; W122-L169 HydrophobicContact CB-CD2 3.79Å; W122-L169 HydrophobicContact CB-CG 4.27Å; W122-L169 HydrophobicContact CG-CD1 4.11Å; W122-V171 HydrophobicContact CD2-CG2 4.23Å; W122-V171 HydrophobicContact CG-CG2 4.07Å; W122-I177 HydrophobicContact CH2-CD1 3.39Å; W122-I177 HydrophobicContact CZ2-CD1 3.83Å; W122-I177 HydrophobicContact CZ3-CD1 3.83Å; W122-F197 AromaticContact CH2-CE1 3.78Å; W122-F197 HydrophobicContact CH2-CE1 3.78Å; W122-F197 HydrophobicContact CH2-CZ 4.32Å
123	I	98.8	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.5	-177.5	-65.8	162	0	0	0	108.9	I87 V104 P107 G109 I110 I121 K136 Y138	I87-I123 HydrophobicContact CD1-CD1 3.53Å; I87-I123 HydrophobicContact CD1-CG1 4.32Å; I87-I123 HydrophobicContact CG1-CD1 3.73Å; V104-I123 HydrophobicContact CG2-CD1 4.17Å; P107-I123 HydrophobicContact CB-CG2 4.03Å; G109-I123 WeakPolarHBondContact O-CA 3.46Å; I110-I123 HydrophobicContact CB-CG1 4.35Å; I110-I123 HydrophobicContact CD1-CD1 4.31Å; I110-I123 HydrophobicContact CD1-CG1 3.99Å; I110-I123 HydrophobicContact CG1-CG1 3.83Å; I121-I123 HydrophobicContact CG2-CG1 4.47Å; I123-K136 PolarHBondContact N-O 2.98Å; I123-K136 PolarHBondContact O-N 2.91Å; I123-Y138 HydrophobicContact CB-CE2 4.11Å; I123-Y138 HydrophobicContact CD1-CD2 3.86Å; I123-Y138 HydrophobicContact CD1-CE2 3.67Å; I123-Y138 HydrophobicContact CG1-CD2 4.39Å; I123-Y138 HydrophobicContact CG1-CE2 4.25Å
124	T	98.7	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135	162.8	71.3	0	0	0	0	109.3	P107 H108 G109 V135 P166 A167 L169	P107-T124 WeakPolarHBondContact CA-O 3.34Å; H108-T124 PolarHBondContact N-O 3.12Å; G109-T124 WeakPolarHBondContact CA-OG1 3.34Å; G109-T124 PolarHBondContact N-OG1 3.33Å; G109-T124 PolarHBondContact O-N 2.89Å; T124-V135 HydrophobicContact CG2-CG2 4.01Å; T124-P166 WeakPolarHBondContact CB-O 3.47Å; T124-P166 HydrophobicContact CG2-CB 4.12Å; T124-P166 PolarHBondContact OG1-O 2.89Å; T124-A167 PolarHBondContact OG1-O 2.79Å; T124-A167 VanDerWaalsContact OG1-O 3.1Å; T124-L169 HydrophobicContact CG2-CB 4.43Å; T124-L169 HydrophobicContact CG2-CD2 3.76Å; T124-L169 HydrophobicContact CG2-CG 4.37Å
125	D	97.9	Very high	95.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.3	-177	-160.7	-35.4	0	0	0	109.6	V104 D105 T106 G127 H133 T134 K136	V104-D125 WeakPolarHBondContact CA-OD2 3.44Å; D105-D125 PolarHBondContact N-OD2 2.87Å; T106-D125 PolarHBondContact N-OD1 3.46Å; D125-G127 PolarHBondContact OD1-N 3.24Å; D125-H133 VanDerWaalsContact O-CA 3.24Å; D125-H133 WeakPolarHBondContact O-CA 3.34Å; D125-H133 PolarHBondContact O-N 2.89Å; D125-T134 PolarHBondContact N-O 3.18Å; D125-T134 PolarHBondContact O-N 2.96Å; D125-K136 IonicContact OD2-NZ 3.88Å; D125-K136 PolarHBondContact OD2-NZ 2.95Å
126	V	97.6	Very high	95.9	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.085	22%	0.22	C	C	.	.			trans	-105.1	12.2	-177.5	-54.8	0	0	0	0	112	R80 T106 H108 N165 P166	R80-V126 VanDerWaalsContact NH2-CG2 3.32Å; T106-V126 HydrophobicContact CG2-CG2 3.91Å; T106-V126 PolarHBondContact O-N 3.05Å; H108-V126 HydrophobicContact CB-CB 4.39Å; H108-V126 HydrophobicContact CB-CG1 3.5Å; H108-V126 HydrophobicContact CB-CG2 3.98Å; V126-N165 HydrophobicContact CB-CB 4.34Å; V126-N165 HydrophobicContact CG1-CB 4.12Å; V126-P166 VanDerWaalsContact CG1-O 3.24Å; V126-P166 WeakPolarHBondContact CG1-O 3.33Å
127	G	95.8	Very high	96.5	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	19%	0.192	C	C	.	.			trans	-61.7	155.3	179.6	0	0	0	0	0	113.3	D105 D125 G132 H133	D105-G127 WeakPolarHBondContact OD2-CA 3.38Å; D125-G127 PolarHBondContact OD1-N 3.24Å; G127-G132 CarbonylContact O-C 3.18Å; G127-G132 VanDerWaalsContact O-CA 3.23Å; G127-G132 WeakPolarHBondContact O-CA 3.37Å; G127-H133 PolarHBondContact O-CD2 3.33Å; G127-H133 PolarHBondContact O-N 2.87Å; G127-H133 PolarHBondContact O-NE2 3.02Å
128	S	94.5	Very high	97	Very high	112 Å²	112	28.4 Å²	28.4	78%	0.783	15%	0.151	S	C	*	.	S	Bend	trans	-94.6	-1.7	173.2	-55.4	0	0	0	0	112.7
129	G	94.8	Very high	97.2	Very high	31 Å²	31	24.8 Å²	24.8	32%	0.32	14%	0.137	S	C	.	.	S	Bend	trans	-90.2	-173.3	177.8	0	0	0	0	0	113	D105 F131 G132 G152	D105-G129 WeakPolarHBondContact OD2-CA 3.38Å; D105-G129 PolarHBondContact OD2-N 2.94Å; G129-F131 PolarHBondContact O-N 2.86Å; G129-G132 PolarHBondContact O-N 2.83Å; G129-G152 VanDerWaalsContact O-CA 3.25Å; G129-G152 WeakPolarHBondContact O-CA 3.3Å
130	F	95.3	Very high	97.1	Very high	157 Å²	157	23.1 Å²	23.1	69%	0.689	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	-167.6	-172.4	-98.9	0	0	0	115.2	P151 G152	F130-P151 CarbonylContact O-C 3.54Å; F130-P151 WeakPolarHBondContact O-CA 3.3Å; F130-P151 WeakPolarHBondContact O-CB 3.34Å; F130-G152 PolarHBondContact O-N 3.05Å
131	F	95.6	Very high	96.8	Very high	70 Å²	70	30 Å²	30	31%	0.307	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.8	-179.1	-60.2	-67.5	0	0	0	114.4	Y102 T103 D105 G129 T134 K136	Y102-F131 WeakPolarHBondContact O-CE2 3.19Å; T103-F131 HydrophobicContact CG2-CD1 4.48Å; T103-F131 HydrophobicContact CG2-CE1 3.96Å; T103-F131 HydrophobicContact CG2-CZ 4.22Å; T103-F131 WeakPolarHBondContact O-CB 3.22Å; D105-F131 HydrophobicContact CB-CB 4.28Å; G129-F131 PolarHBondContact O-N 2.86Å; F131-T134 PolarHBondContact O-OG1 3.02Å; F131-K136 PolarHBondContact O-NZ 2.86Å
132	G	96.9	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.			trans	-80.5	179.7	-173.6	0	0	0	0	0	114.3	G127 G129 T134 G152	G127-G132 CarbonylContact O-C 3.18Å; G127-G132 VanDerWaalsContact O-CA 3.23Å; G127-G132 WeakPolarHBondContact O-CA 3.37Å; G129-G132 PolarHBondContact O-N 2.83Å; G132-T134 VanDerWaalsContact C-N 3.26Å; G132-T134 PolarHBondContact O-N 3.18Å; G132-G152 PolarHBondContact O-N 3.4Å
133	H	97.7	Very high	96.5	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.06	19%	0.192	C	C	.	.	S	Bend	trans	50.9	39.3	-172.4	-51.3	-62.5	0	0	0	114.1	D125 G127 K154 D164 N165	D125-H133 VanDerWaalsContact O-CA 3.24Å; D125-H133 WeakPolarHBondContact O-CA 3.34Å; D125-H133 PolarHBondContact O-N 2.89Å; G127-H133 PolarHBondContact O-CD2 3.33Å; G127-H133 PolarHBondContact O-N 2.87Å; G127-H133 PolarHBondContact O-NE2 3.02Å; H133-K154 HydrophobicContact CB-CB 4.14Å; H133-D164 IonicContact CE1-OD1 3.88Å; H133-D164 IonicContact ND1-OD1 3.47Å; H133-N165 PolarHBondContact CE1-OD1 2.89Å; H133-N165 VanDerWaalsContact CE1-OD1 3.27Å; H133-N165 PolarHBondContact ND1-OD1 2.87Å
134	T	98.4	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.7	-178.1	54.5	0	0	0	0	112.7	D125 F131 G132 K136 V147 L148 P151	D125-T134 PolarHBondContact N-O 3.18Å; D125-T134 PolarHBondContact O-N 2.96Å; F131-T134 PolarHBondContact O-OG1 3.02Å; G132-T134 VanDerWaalsContact C-N 3.26Å; G132-T134 PolarHBondContact O-N 3.18Å; T134-K136 WeakPolarHBondContact OG1-CD 3.39Å; T134-K136 WeakPolarHBondContact OG1-CE 3.26Å; T134-K136 PolarHBondContact OG1-NZ 2.75Å; T134-V147 HydrophobicContact CG2-CG1 3.8Å; T134-L148 WeakPolarHBondContact CA-O 3.41Å; T134-L148 WeakPolarHBondContact CB-O 3.37Å; T134-P151 HydrophobicContact CG2-CB 4.44Å; T134-P151 HydrophobicContact CG2-CG 4.3Å
135	V	98.7	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.9	164.5	-179.7	0	0	0	0	108.1	W122 T124 L148 F163 P166 L169 I179	W122-V135 HydrophobicContact CE3-CG1 4.27Å; T124-V135 HydrophobicContact CG2-CG2 4.01Å; V135-L148 HydrophobicContact CB-CB 4.28Å; V135-L148 HydrophobicContact CB-CD1 4.49Å; V135-L148 HydrophobicContact CG1-CD1 4.49Å; V135-L148 PolarHBondContact N-O 2.89Å; V135-L148 PolarHBondContact O-N 3.2Å; V135-F163 HydrophobicContact CB-CE2 4.24Å; V135-F163 HydrophobicContact CB-CZ 4.41Å; V135-F163 HydrophobicContact CG2-CD1 4.47Å; V135-F163 HydrophobicContact CG2-CD2 4.21Å; V135-F163 HydrophobicContact CG2-CE1 4.22Å; V135-F163 HydrophobicContact CG2-CE2 3.94Å; V135-F163 HydrophobicContact CG2-CG 4.46Å; V135-F163 HydrophobicContact CG2-CZ 3.94Å; V135-P166 HydrophobicContact CG2-CB 3.84Å; V135-P166 HydrophobicContact CG2-CG 4.18Å; V135-L169 HydrophobicContact CG1-CD2 3.38Å; V135-I179 HydrophobicContact CB-CD1 4.48Å; V135-I179 HydrophobicContact CG1-CD1 4.35Å; V135-I179 HydrophobicContact CG2-CD1 4.23Å; V135-I179 HydrophobicContact CG2-CG2 4.15Å
136	K	98.4	Very high	96.4	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.1	-167.1	-71.8	172	-69.9	-165	0	111.9	T103 W122 I123 D125 F131 T134 Y138 L144 Q146 V147	T103-K136 PolarHBondContact O-NZ 2.9Å; W122-K136 CarbonylContact C-O 3.55Å; W122-K136 WeakPolarHBondContact CA-O 3.37Å; I123-K136 PolarHBondContact N-O 2.98Å; I123-K136 PolarHBondContact O-N 2.91Å; D125-K136 IonicContact OD2-NZ 3.88Å; D125-K136 PolarHBondContact OD2-NZ 2.95Å; F131-K136 PolarHBondContact O-NZ 2.86Å; T134-K136 WeakPolarHBondContact OG1-CD 3.39Å; T134-K136 WeakPolarHBondContact OG1-CE 3.26Å; T134-K136 PolarHBondContact OG1-NZ 2.75Å; K136-Y138 HydrophobicContact CB-CD2 4.32Å; K136-Y138 HydrophobicContact CB-CE2 3.47Å; K136-Y138 VanDerWaalsContact CB-CE2 3.47Å; K136-L144 HydrophobicContact CB-CD1 3.87Å; K136-L144 HydrophobicContact CD-CD1 4.23Å; K136-L144 HydrophobicContact CG-CD1 4.07Å; K136-Q146 CarbonylContact C-O 3.54Å; K136-Q146 WeakPolarHBondContact CA-O 3.48Å; K136-V147 HydrophobicContact CG-CB 4.46Å; K136-V147 HydrophobicContact CG-CG1 4.13Å; K136-V147 HydrophobicContact CG-CG2 4.23Å
137	K	98.3	Very high	96.4	Very high	32 Å²	32	47.5 Å²	47.5	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.8	172.5	-168.9	-176.9	-172.2	174	0	109.6	E118 I121 W122 V145 Q146	E118-K137 VanDerWaalsContact OE1-CE 3.26Å; E118-K137 WeakPolarHBondContact OE1-CE 3.38Å; E118-K137 IonicContact OE1-NZ 3.54Å; E118-K137 PolarHBondContact OE1-NZ 2.82Å; I121-K137 CarbonylContact O-C 3.41Å; W122-K137 HydrophobicContact CD2-CB 4.09Å; W122-K137 HydrophobicContact CD2-CG 4.1Å; W122-K137 HydrophobicContact CE3-CB 3.94Å; W122-K137 HydrophobicContact CE3-CG 4.43Å; W122-K137 HydrophobicContact CH2-CB 3.78Å; W122-K137 HydrophobicContact CH2-CD 3.8Å; W122-K137 HydrophobicContact CH2-CG 3.97Å; W122-K137 HydrophobicContact CZ2-CB 3.95Å; W122-K137 HydrophobicContact CZ2-CD 3.41Å; W122-K137 VanDerWaalsContact CZ2-CD 3.41Å; W122-K137 HydrophobicContact CZ2-CG 3.61Å; W122-K137 HydrophobicContact CZ3-CB 3.78Å; W122-K137 HydrophobicContact CZ3-CG 4.37Å; K137-V145 HydrophobicContact CD-CG1 4.31Å; K137-V145 HydrophobicContact CG-CB 4.46Å; K137-V145 PolarHBondContact O-N 2.02Å; K137-Q146 HydrophobicContact CB-CB 3.83Å; K137-Q146 PolarHBondContact N-O 2.95Å; K137-Q146 PolarHBondContact O-N 2.85Å; K137-Q146 VanDerWaalsContact O-N 3.17Å
138	Y	98.3	Very high	96.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154	179.2	-65.1	-95.8	0	0	0	111.6	T103 V104 S120 I121 I123 K136 G142 D143 L144	T103-Y138 PolarHBondContact O-OH 3.17Å; T103-Y138 WeakPolarHBondContact OG1-CE1 3.16Å; T103-Y138 PolarHBondContact OG1-OH 2.85Å; V104-Y138 VanDerWaalsContact CG2-OH 3.3Å; V104-Y138 WeakPolarHBondContact CG2-OH 3.33Å; S120-Y138 WeakPolarHBondContact CA-O 3.3Å; I121-Y138 PolarHBondContact N-O 2.81Å; I121-Y138 PolarHBondContact O-N 3.37Å; I123-Y138 HydrophobicContact CB-CE2 4.11Å; I123-Y138 HydrophobicContact CD1-CD2 3.86Å; I123-Y138 HydrophobicContact CD1-CE2 3.67Å; I123-Y138 HydrophobicContact CG1-CD2 4.39Å; I123-Y138 HydrophobicContact CG1-CE2 4.25Å; K136-Y138 HydrophobicContact CB-CD2 4.32Å; K136-Y138 HydrophobicContact CB-CE2 3.47Å; K136-Y138 VanDerWaalsContact CB-CE2 3.47Å; Y138-G142 WeakPolarHBondContact CD1-O 3.38Å; Y138-D143 CarbonylContact C-O 3.59Å; Y138-D143 WeakPolarHBondContact CA-O 3.38Å; Y138-L144 HydrophobicContact CD1-CB 4.24Å; Y138-L144 HydrophobicContact CD1-CD1 4.28Å; Y138-L144 HydrophobicContact CE1-CB 3.99Å; Y138-L144 HydrophobicContact CE1-CD1 3.79Å; Y138-L144 HydrophobicContact CE1-CG 4.49Å; Y138-L144 HydrophobicContact CE2-CD1 4.21Å
139	S	96.1	Very high	96.7	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	162.9	161	84.5	0	0	0	0	109.8	F141 G142 D143	S139-F141 PolarHBondContact O-N 2.86Å; S139-F141 PolarHBondContact OG-N 2.83Å; S139-F141 VanDerWaalsContact OG-N 3.14Å; S139-G142 PolarHBondContact O-N 2.91Å; S139-G142 PolarHBondContact OG-N 2.81Å; S139-D143 PolarHBondContact N-O 2.86Å; S139-D143 WeakPolarHBondContact OG-CB 3.45Å; S139-D143 PolarHBondContact OG-N 2.88Å; S139-D143 PolarHBondContact OG-OD2 3.05Å
140	S	92.1	Very high	96.8	Very high	15 Å²	15	45.1 Å²	45.1	11%	0.105	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.9	173.4	62	0	0	0	0	114.2	R98 Q119	R98-S140 PolarHBondContact NE-O 2.57Å; R98-S140 PolarHBondContact NH2-O 2.89Å; Q119-S140 PolarHBondContact OE1-OG 2.78Å
141	F	91.4	Very high	96.9	Very high	151 Å²	151	40 Å²	40	66%	0.662	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.4	174.6	-64.3	-78.3	0	0	0	113.5	S139	S139-F141 PolarHBondContact O-N 2.86Å; S139-F141 PolarHBondContact OG-N 2.83Å; S139-F141 VanDerWaalsContact OG-N 3.14Å
142	G	94.9	Very high	96.9	Very high	13 Å²	13	38.1 Å²	38.1	13%	0.134	22%	0.219	C	C	.	.	S	Bend	trans	100.8	10.4	178.3	0	0	0	0	0	114.8	Y138 S139	Y138-G142 WeakPolarHBondContact CD1-O 3.38Å; S139-G142 PolarHBondContact O-N 2.91Å; S139-G142 PolarHBondContact OG-N 2.81Å
143	D	96.1	Very high	96.9	Very high	101 Å²	101	41.4 Å²	41.4	54%	0.54	24%	0.239	S	C	.	.			trans	-73.7	134.2	174.2	-45.8	-72.4	0	0	0	110	Y138 S139 V145	Y138-D143 CarbonylContact C-O 3.59Å; Y138-D143 WeakPolarHBondContact CA-O 3.38Å; S139-D143 PolarHBondContact N-O 2.86Å; S139-D143 WeakPolarHBondContact OG-CB 3.45Å; S139-D143 PolarHBondContact OG-N 2.88Å; S139-D143 PolarHBondContact OG-OD2 3.05Å; D143-V145 PolarHBondContact O-N 2.93Å
144	L	97.6	Very high	96.8	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.366	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.7	178	-179.5	65.3	0	0	0	110.5	T103 K136 Y138 V147	T103-L144 HydrophobicContact CG2-CD2 4.07Å; K136-L144 HydrophobicContact CB-CD1 3.87Å; K136-L144 HydrophobicContact CD-CD1 4.23Å; K136-L144 HydrophobicContact CG-CD1 4.07Å; Y138-L144 HydrophobicContact CD1-CB 4.24Å; Y138-L144 HydrophobicContact CD1-CD1 4.28Å; Y138-L144 HydrophobicContact CE1-CB 3.99Å; Y138-L144 HydrophobicContact CE1-CD1 3.79Å; Y138-L144 HydrophobicContact CE1-CG 4.49Å; Y138-L144 HydrophobicContact CE2-CD1 4.21Å; L144-V147 HydrophobicContact CD1-CG2 4.14Å; L144-V147 HydrophobicContact CD2-CG2 3.83Å; L144-V147 HydrophobicContact CG-CG2 4.27Å
145	V	97.3	Very high	96.8	Very high	88 Å²	88	47.3 Å²	47.3	53%	0.533	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-45.9	-177.3	177.2	0	0	0	0	111.7	K137 D143	K137-V145 HydrophobicContact CD-CG1 4.31Å; K137-V145 HydrophobicContact CG-CB 4.46Å; K137-V145 PolarHBondContact O-N 2.02Å; D143-V145 PolarHBondContact O-N 2.93Å
146	Q	97.6	Very high	96.7	Very high	72 Å²	72	51.3 Å²	51.3	34%	0.336	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146	-178.1	-175.6	62	46.1	0	0	111	K136 K137 L148 F197	K136-Q146 CarbonylContact C-O 3.54Å; K136-Q146 WeakPolarHBondContact CA-O 3.48Å; K137-Q146 HydrophobicContact CB-CB 3.83Å; K137-Q146 PolarHBondContact N-O 2.95Å; K137-Q146 PolarHBondContact O-N 2.85Å; K137-Q146 VanDerWaalsContact O-N 3.17Å; Q146-L148 HydrophobicContact CG-CD2 4.09Å; Q146-F197 HydrophobicContact CG-CD2 4.34Å; Q146-F197 HydrophobicContact CG-CE2 3.65Å; Q146-F197 HydrophobicContact CG-CZ 3.87Å
147	V	98.3	Very high	96.6	Very high	43 Å²	43	52.6 Å²	52.6	26%	0.261	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.6	168.2	-173	0	0	0	0	109	T134 K136 L144 P151	T134-V147 HydrophobicContact CG2-CG1 3.8Å; K136-V147 HydrophobicContact CG-CB 4.46Å; K136-V147 HydrophobicContact CG-CG1 4.13Å; K136-V147 HydrophobicContact CG-CG2 4.23Å; L144-V147 HydrophobicContact CD1-CG2 4.14Å; L144-V147 HydrophobicContact CD2-CG2 3.83Å; L144-V147 HydrophobicContact CG-CG2 4.27Å; V147-P151 HydrophobicContact CG1-CG 4.11Å
148	L	98.5	Very high	96.6	Very high	15 Å²	15	55 Å²	55	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.2	167.5	-50.6	177.7	0	0	0	107.8	W122 T134 V135 Q146 F163 I179 L193 F197	W122-L148 HydrophobicContact CZ3-CD1 4.3Å; T134-L148 WeakPolarHBondContact CA-O 3.41Å; T134-L148 WeakPolarHBondContact CB-O 3.37Å; V135-L148 HydrophobicContact CB-CB 4.28Å; V135-L148 HydrophobicContact CB-CD1 4.49Å; V135-L148 HydrophobicContact CG1-CD1 4.49Å; V135-L148 PolarHBondContact N-O 2.89Å; V135-L148 PolarHBondContact O-N 3.2Å; Q146-L148 HydrophobicContact CG-CD2 4.09Å; L148-F163 HydrophobicContact CB-CE2 3.79Å; L148-F163 HydrophobicContact CB-CZ 4.26Å; L148-I179 HydrophobicContact CD1-CD1 4.4Å; L148-L193 HydrophobicContact CD1-CD1 3.88Å; L148-F197 HydrophobicContact CD1-CD1 4.3Å; L148-F197 HydrophobicContact CD2-CB 4.02Å; L148-F197 HydrophobicContact CD2-CD1 4.04Å; L148-F197 HydrophobicContact CD2-CD2 4.02Å; L148-F197 HydrophobicContact CD2-CG 3.72Å
149	G	97.8	Very high	96.4	Very high	17 Å²	17	62.7 Å²	62.7	18%	0.175	36%	0.363	C	S	.	.	S	Bend	trans	87.3	163.8	-165.7	0	0	0	0	0	112.4	L161	G149-L161 WeakPolarHBondContact CA-O 3.28Å
150	T	97.4	Very high	96.3	Very high	62 Å²	62	65.6 Å²	65.6	38%	0.38	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-91.7	121.2	171.6	-60.5	0	0	0	0	108.8	G152 T153 Q162	T150-G152 PolarHBondContact O-N 2.99Å; T150-T153 WeakPolarHBondContact O-CB 3.45Å; T150-T153 PolarHBondContact O-N 2.82Å; T150-Q162 VanDerWaalsContact CB-OE1 3.23Å; T150-Q162 VanDerWaalsContact N-NE2 3.18Å; T150-Q162 PolarHBondContact OG1-NE2 2.85Å; T150-Q162 PolarHBondContact OG1-OE1 2.78Å
151	P	97.3	Very high	96.6	Very high	49 Å²	49	66.2 Å²	66.2	32%	0.318	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	128.9	-179.1	-28.5	34.4	0	0	0	113.6	F130 T134 V147 T153	F130-P151 CarbonylContact O-C 3.54Å; F130-P151 WeakPolarHBondContact O-CA 3.3Å; F130-P151 WeakPolarHBondContact O-CB 3.34Å; T134-P151 HydrophobicContact CG2-CB 4.44Å; T134-P151 HydrophobicContact CG2-CG 4.3Å; V147-P151 HydrophobicContact CG1-CG 4.11Å; P151-T153 PolarHBondContact O-N 2.87Å
152	G	95.9	Very high	96.9	Very high	32 Å²	32	59.9 Å²	59.9	33%	0.33	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	5.4	179.8	0	0	0	0	0	115.2	G129 F130 G132 T150	G129-G152 VanDerWaalsContact O-CA 3.25Å; G129-G152 WeakPolarHBondContact O-CA 3.3Å; F130-G152 PolarHBondContact O-N 3.05Å; G132-G152 PolarHBondContact O-N 3.4Å; T150-G152 PolarHBondContact O-N 2.99Å
153	T	96.2	Very high	97.1	Very high	69 Å²	69	59.2 Å²	59.2	42%	0.423	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-115.7	103.7	-179.3	-54.4	0	0	0	0	110	T150 P151 Q162	T150-T153 WeakPolarHBondContact O-CB 3.45Å; T150-T153 PolarHBondContact O-N 2.82Å; P151-T153 PolarHBondContact O-N 2.87Å; T153-Q162 PolarHBondContact O-OE1 2.81Å
154	K	96.9	Very high	97.1	Very high	120 Å²	120	54.5 Å²	54.5	52%	0.522	32%	0.324	S	S	.	.			trans	-72.7	147.7	170	60.8	176.3	-175.6	172	0	112.5	H133 F163 D164	H133-K154 HydrophobicContact CB-CB 4.14Å; K154-F163 CarbonylContact C-O 3.48Å; K154-F163 VanDerWaalsContact CA-O 3.24Å; K154-F163 WeakPolarHBondContact CA-O 3.42Å; K154-D164 HydrophobicContact CB-CB 4.08Å; K154-D164 WeakPolarHBondContact CB-OD1 3.31Å; K154-D164 WeakPolarHBondContact CD-OD1 3.45Å
155	G	96.9	Very high	97.1	Very high	16 Å²	16	52.7 Å²	52.7	17%	0.165	32%	0.315	C	S	.	.			trans	-176.5	169.9	175.1	0	0	0	0	0	114.8	Q162 F163 N187	G155-Q162 CarbonylContact O-C 3.55Å; G155-F163 PolarHBondContact N-O 2.86Å; G155-F163 CarbonylContact O-C 3.58Å; G155-F163 VanDerWaalsContact O-C 3.24Å; G155-F163 PolarHBondContact O-N 2.84Å; G155-N187 PolarHBondContact O-ND2 3.15Å
156	T	97.1	Very high	97.1	Very high	84 Å²	84	48.5 Å²	48.5	52%	0.515	29%	0.29	S	S	.	.			trans	-100.7	-7	179.8	60.9	0	0	0	0	112.5	L186 N187 R189	T156-L186 HydrophobicContact CG2-CB 4.19Å; T156-N187 WeakPolarHBondContact CA-OD1 3.33Å; T156-N187 WeakPolarHBondContact CB-OD1 3.38Å; T156-N187 WeakPolarHBondContact CG2-OD1 3.43Å; T156-R189 PolarHBondContact O-NH1 2.78Å
157	G	97.1	Very high	97.1	Very high	31 Å²	31	45 Å²	45	32%	0.32	27%	0.274	S	S	.	.			trans	-60.5	149.8	-172.3	0	0	0	0	0	114.5	P160 L161 Q162	G157-P160 CarbonylContact C-O 3.5Å; G157-L161 WeakPolarHBondContact O-CA 3.34Å; G157-Q162 PolarHBondContact O-N 2.98Å
158	L	96.8	Very high	97.2	Very high	83 Å²	83	43 Å²	43	44%	0.435	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-111.5	-14.1	178	-57.8	-179.1	0	0	0	113.2	P160 L161 I199 L202	L158-P160 CarbonylContact C-O 3.58Å; L158-L161 HydrophobicContact CD2-CD1 4Å; L158-L161 PolarHBondContact O-N 3.34Å; L158-I199 HydrophobicContact CB-CD1 4.01Å; L158-I199 HydrophobicContact CD2-CD1 4.11Å; L158-I199 HydrophobicContact CG-CD1 4.49Å; L158-L202 HydrophobicContact CD1-CD1 3.95Å; L158-L202 HydrophobicContact CD2-CD1 3.46Å; L158-L202 VanDerWaalsContact CD2-CD1 3.46Å; L158-L202 HydrophobicContact CG-CD1 4.37Å
159	N	94.6	Very high	97.2	Very high	161 Å²	161	42.4 Å²	42.4	86%	0.861	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	101.2	173	-172.5	7.2	0	0	0	110.5
160	P	94.8	Very high	97.2	Very high	86 Å²	86	43 Å²	43	56%	0.558	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	cis	-60.9	151.4	-8.9	29.2	-35.9	0	0	0	111.2	G157 L158 Q162	G157-P160 CarbonylContact C-O 3.5Å; L158-P160 CarbonylContact C-O 3.58Å; P160-Q162 PolarHBondContact O-N 2.97Å
161	L	97.4	Very high	97.2	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.141	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-63	128.9	171	179.8	59.9	0	0	0	109.1	G149 G157 L158 F163 I191 L193 I199	G149-L161 WeakPolarHBondContact CA-O 3.28Å; G157-L161 WeakPolarHBondContact O-CA 3.34Å; L158-L161 HydrophobicContact CD2-CD1 4Å; L158-L161 PolarHBondContact O-N 3.34Å; L161-F163 HydrophobicContact CD1-CZ 4.5Å; L161-F163 HydrophobicContact CD2-CE1 4.27Å; L161-F163 HydrophobicContact CD2-CE2 4.26Å; L161-F163 HydrophobicContact CD2-CZ 3.63Å; L161-F163 HydrophobicContact CG-CE1 4.37Å; L161-F163 HydrophobicContact CG-CE2 4.21Å; L161-F163 HydrophobicContact CG-CZ 3.89Å; L161-I191 HydrophobicContact CD1-CD1 4.29Å; L161-L193 HydrophobicContact CD2-CD1 4.19Å; L161-L193 HydrophobicContact CD2-CD2 4.16Å; L161-I199 HydrophobicContact CD1-CD1 4.43Å
162	Q	98	Very high	97.1	Very high	18 Å²	18	39.8 Å²	39.8	8%	0.084	23%	0.232	C	C	.	.			trans	-128.1	155.2	176	-60.3	-63.7	-74.6	0	0	108.8	T150 T153 G155 G157 P160 R189	T150-Q162 VanDerWaalsContact CB-OE1 3.23Å; T150-Q162 VanDerWaalsContact N-NE2 3.18Å; T150-Q162 PolarHBondContact OG1-NE2 2.85Å; T150-Q162 PolarHBondContact OG1-OE1 2.78Å; T153-Q162 PolarHBondContact O-OE1 2.81Å; G155-Q162 CarbonylContact O-C 3.55Å; G157-Q162 PolarHBondContact O-N 2.98Å; P160-Q162 PolarHBondContact O-N 2.97Å; Q162-R189 PolarHBondContact O-NH2 2.91Å
163	F	98.4	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.			trans	-121	162.8	178.7	-59.5	-79.4	0	0	0	111	V135 L148 K154 G155 L161 P166 I179 D181 I191	V135-F163 HydrophobicContact CB-CE2 4.24Å; V135-F163 HydrophobicContact CB-CZ 4.41Å; V135-F163 HydrophobicContact CG2-CD1 4.47Å; V135-F163 HydrophobicContact CG2-CD2 4.21Å; V135-F163 HydrophobicContact CG2-CE1 4.22Å; V135-F163 HydrophobicContact CG2-CE2 3.94Å; V135-F163 HydrophobicContact CG2-CG 4.46Å; V135-F163 HydrophobicContact CG2-CZ 3.94Å; L148-F163 HydrophobicContact CB-CE2 3.79Å; L148-F163 HydrophobicContact CB-CZ 4.26Å; K154-F163 CarbonylContact C-O 3.48Å; K154-F163 VanDerWaalsContact CA-O 3.24Å; K154-F163 WeakPolarHBondContact CA-O 3.42Å; G155-F163 PolarHBondContact N-O 2.86Å; G155-F163 CarbonylContact O-C 3.58Å; G155-F163 VanDerWaalsContact O-C 3.24Å; G155-F163 PolarHBondContact O-N 2.84Å; L161-F163 HydrophobicContact CD1-CZ 4.5Å; L161-F163 HydrophobicContact CD2-CE1 4.27Å; L161-F163 HydrophobicContact CD2-CE2 4.26Å; L161-F163 HydrophobicContact CD2-CZ 3.63Å; L161-F163 HydrophobicContact CG-CE1 4.37Å; L161-F163 HydrophobicContact CG-CE2 4.21Å; L161-F163 HydrophobicContact CG-CZ 3.89Å; F163-P166 HydrophobicContact CB-CB 4.21Å; F163-P166 HydrophobicContact CB-CG 3.99Å; F163-P166 HydrophobicContact CD1-CB 4.32Å; F163-P166 HydrophobicContact CG-CB 4.33Å; F163-P166 HydrophobicContact CG-CG 4.42Å; F163-I179 HydrophobicContact CD1-CG2 4.43Å; F163-I179 HydrophobicContact CE1-CD1 3.98Å; F163-I179 HydrophobicContact CE1-CG2 3.92Å; F163-I179 HydrophobicContact CZ-CD1 3.83Å; F163-D181 HydrophobicContact CD1-CB 4.16Å; F163-I191 HydrophobicContact CD1-CD1 4.46Å; F163-I191 HydrophobicContact CE1-CD1 3.94Å
164	D	97.3	Very high	96.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.248	C	C	.	.	S	Bend	trans	-144.6	96.3	169.7	-171.5	15.3	0	0	0	108.9	H133 K154 D181 L186 N187	H133-D164 IonicContact CE1-OD1 3.88Å; H133-D164 IonicContact ND1-OD1 3.47Å; K154-D164 HydrophobicContact CB-CB 4.08Å; K154-D164 WeakPolarHBondContact CB-OD1 3.31Å; K154-D164 WeakPolarHBondContact CD-OD1 3.45Å; D164-D181 PolarHBondContact N-OD1 3.2Å; D164-L186 HydrophobicContact CB-CB 4.46Å; D164-L186 WeakPolarHBondContact OD2-CB 3.5Å; D164-L186 WeakPolarHBondContact OD2-CD1 3.34Å; D164-L186 WeakPolarHBondContact OD2-CG 3.4Å; D164-L186 PolarHBondContact OD2-N 2.86Å; D164-N187 WeakPolarHBondContact CB-ND2 3.04Å; D164-N187 PolarHBondContact N-ND2 3.38Å; D164-N187 VanDerWaalsContact N-ND2 3.13Å
165	N	96.8	Very high	96.7	Very high	32 Å²	32	39.3 Å²	39.3	17%	0.171	23%	0.233	C	C	.	.	S	Bend	trans	60.2	69.4	-168.5	-60.1	-7.5	0	0	0	113.3	V126 H133 A167 G182 D183	V126-N165 HydrophobicContact CB-CB 4.34Å; V126-N165 HydrophobicContact CG1-CB 4.12Å; H133-N165 PolarHBondContact CE1-OD1 2.89Å; H133-N165 VanDerWaalsContact CE1-OD1 3.27Å; H133-N165 PolarHBondContact ND1-OD1 2.87Å; N165-A167 PolarHBondContact O-N 2.8Å; N165-A167 VanDerWaalsContact O-N 3.16Å; N165-G182 PolarHBondContact O-N 2.85Å; N165-D183 HydrophobicContact CB-CB 4.05Å; N165-D183 WeakPolarHBondContact CB-O 3.41Å; N165-D183 PolarHBondContact ND2-O 2.91Å; N165-D183 PolarHBondContact O-N 3.13Å
166	P	98.3	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	114.4	171.9	27.8	-33	0	0	0	110.3	T124 V126 V135 F163	T124-P166 WeakPolarHBondContact CB-O 3.47Å; T124-P166 HydrophobicContact CG2-CB 4.12Å; T124-P166 PolarHBondContact OG1-O 2.89Å; V126-P166 VanDerWaalsContact CG1-O 3.24Å; V126-P166 WeakPolarHBondContact CG1-O 3.33Å; V135-P166 HydrophobicContact CG2-CB 3.84Å; V135-P166 HydrophobicContact CG2-CG 4.18Å; F163-P166 HydrophobicContact CB-CB 4.21Å; F163-P166 HydrophobicContact CB-CG 3.99Å; F163-P166 HydrophobicContact CD1-CB 4.32Å; F163-P166 HydrophobicContact CG-CB 4.33Å; F163-P166 HydrophobicContact CG-CG 4.42Å
167	A	98.2	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-52.1	-170.7	0	0	0	0	0	111.7	H108 G109 T124 N165 V180 D183	H108-A167 PolarHBondContact ND1-O 2.76Å; G109-A167 WeakPolarHBondContact CA-O 3.25Å; G109-A167 PolarHBondContact N-O 3.21Å; T124-A167 PolarHBondContact OG1-O 2.79Å; T124-A167 VanDerWaalsContact OG1-O 3.1Å; N165-A167 PolarHBondContact O-N 2.8Å; N165-A167 VanDerWaalsContact O-N 3.16Å; A167-V180 PolarHBondContact N-O 2.97Å; A167-D183 HydrophobicContact CB-CB 4Å
168	E	98.3	Very high	97	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	169.4	-178.6	-150.1	-173.5	-146.7	0	0	110.7	V180 S218 V219 R264 L312	E168-V180 HydrophobicContact CB-CG2 3.88Å; E168-V180 PolarHBondContact N-O 2.84Å; E168-V180 WeakPolarHBondContact O-CG2 3.47Å; E168-V180 PolarHBondContact O-N 3.22Å; E168-S218 WeakPolarHBondContact OE2-CA 3.36Å; E168-S218 WeakPolarHBondContact OE2-CB 3.42Å; E168-S218 PolarHBondContact OE2-OG 2.78Å; E168-V219 PolarHBondContact OE2-N 2.95Å; E168-V219 VanDerWaalsContact OE2-N 3.09Å; E168-R264 VanDerWaalsContact CD-NH1 3.28Å; E168-R264 IonicContact OE1-CZ 2.94Å; E168-R264 IonicContact OE1-NH1 2.93Å; E168-R264 PolarHBondContact OE1-NH1 2.94Å; E168-R264 IonicContact OE1-NH2 3.28Å; E168-R264 PolarHBondContact OE1-NH2 3.17Å; E168-R264 IonicContact OE2-CZ 2.64Å; E168-R264 IonicContact OE2-NH1 2.88Å; E168-R264 PolarHBondContact OE2-NH1 2.84Å; E168-R264 IonicContact OE2-NH2 2.81Å; E168-L312 HydrophobicContact CG-CD1 4.08Å
169	L	98.8	Very high	97.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.3	169.3	69	95	0	0	0	111	F111 W122 T124 V135 V171 I177 Y178 I179	F111-L169 HydrophobicContact CB-CD1 3.82Å; F111-L169 HydrophobicContact CB-CG 4.43Å; F111-L169 HydrophobicContact CD1-CD1 4.43Å; F111-L169 HydrophobicContact CG-CD1 4.33Å; W122-L169 HydrophobicContact CB-CD1 3.65Å; W122-L169 HydrophobicContact CB-CD2 3.79Å; W122-L169 HydrophobicContact CB-CG 4.27Å; W122-L169 HydrophobicContact CG-CD1 4.11Å; T124-L169 HydrophobicContact CG2-CB 4.43Å; T124-L169 HydrophobicContact CG2-CD2 3.76Å; T124-L169 HydrophobicContact CG2-CG 4.37Å; V135-L169 HydrophobicContact CG1-CD2 3.38Å; L169-V171 HydrophobicContact CD1-CG2 3.59Å; L169-I177 HydrophobicContact CD1-CG2 4.45Å; L169-Y178 CarbonylContact C-O 3.46Å; L169-Y178 WeakPolarHBondContact CA-O 3.42Å; L169-Y178 VanDerWaalsContact CB-O 3.27Å; L169-Y178 WeakPolarHBondContact CB-O 3.49Å; L169-I179 HydrophobicContact CB-CG1 4.06Å
170	Y	98.6	Very high	97.2	Very high	30 Å²	30	22.9 Å²	22.9	12%	0.118	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140	168.1	-176.5	-84	0	0	0	108.8	F111 Y178 L221 R317	F111-Y170 HydrophobicContact CD2-CD2 4.38Å; F111-Y170 AromaticContact CE2-CD2 3.5Å; F111-Y170 HydrophobicContact CE2-CD2 3.5Å; F111-Y170 VanDerWaalsContact CE2-CD2 3.5Å; F111-Y170 AromaticContact CE2-CE2 3.78Å; F111-Y170 HydrophobicContact CE2-CE2 3.78Å; F111-Y170 HydrophobicContact CE2-CG 4.2Å; F111-Y170 AromaticContact CZ-CD2 3.74Å; F111-Y170 HydrophobicContact CZ-CD2 3.74Å; F111-Y170 AromaticContact CZ-CE2 3.78Å; F111-Y170 HydrophobicContact CZ-CE2 3.78Å; F111-Y170 HydrophobicContact CZ-CG 4.18Å; Y170-Y178 HydrophobicContact CD1-CD2 4.34Å; Y170-Y178 PolarHBondContact N-O 2.9Å; Y170-Y178 PolarHBondContact O-N 3.37Å; Y170-L221 HydrophobicContact CD1-CB 4.47Å; Y170-L221 HydrophobicContact CD1-CD1 3.79Å; Y170-L221 HydrophobicContact CE1-CB 4Å; Y170-L221 HydrophobicContact CE1-CD1 4.15Å; Y170-L221 HydrophobicContact CE1-CD2 4.4Å; Y170-L221 HydrophobicContact CE1-CG 4.4Å; Y170-L221 HydrophobicContact CG-CD1 4.38Å; Y170-R317 PolarHBondContact OH-NH2 3.27Å; Y170-R317 VanDerWaalsContact OH-NH2 3.13Å
171	V	98.1	Very high	97.4	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.5	174.1	-173.8	0	0	0	0	108.7	F111 A113 W122 L169 I177	F111-V171 HydrophobicContact CD1-CB 3.98Å; F111-V171 HydrophobicContact CD1-CG2 3.97Å; F111-V171 HydrophobicContact CE1-CB 3.78Å; F111-V171 HydrophobicContact CE1-CG2 4.29Å; F111-V171 VanDerWaalsContact CE1-N 3.34Å; F111-V171 WeakPolarHBondContact CE1-O 3.16Å; A113-V171 HydrophobicContact CB-CB 3.83Å; A113-V171 HydrophobicContact CB-CG1 3.96Å; A113-V171 HydrophobicContact CB-CG2 4.25Å; W122-V171 HydrophobicContact CD2-CG2 4.23Å; W122-V171 HydrophobicContact CG-CG2 4.07Å; L169-V171 HydrophobicContact CD1-CG2 3.59Å; V171-I177 HydrophobicContact CG1-CG1 4.47Å; V171-I177 HydrophobicContact CG2-CG1 4.38Å; V171-I177 HydrophobicContact CG2-CG2 4.25Å
172	E	95.5	Very high	97.1	Very high	34 Å²	34	17.5 Å²	17.5	16%	0.159	10%	0.098	C	C	.	.			trans	-78	154.5	172.3	-173.6	174	-105.9	0	0	110.2	T174 G175 D176 Y178 K242	E172-T174 WeakPolarHBondContact CB-OG1 3.48Å; E172-T174 HydrophobicContact CG-CG2 4.25Å; E172-T174 WeakPolarHBondContact CG-OG1 3.44Å; E172-T174 PolarHBondContact O-N 2.95Å; E172-T174 VanDerWaalsContact OE2-CG2 3.3Å; E172-T174 WeakPolarHBondContact OE2-CG2 3.42Å; E172-T174 PolarHBondContact OE2-OG1 3.48Å; E172-G175 PolarHBondContact O-N 2.85Å; E172-D176 PolarHBondContact N-O 2.82Å; E172-Y178 HydrophobicContact CB-CE2 4.46Å; E172-K242 IonicContact OE1-NZ 2.66Å; E172-K242 PolarHBondContact OE1-NZ 2.79Å; E172-K242 IonicContact OE2-NZ 2.97Å; E172-K242 PolarHBondContact OE2-NZ 2.85Å
173	D	92.5	Very high	96.9	Very high	110 Å²	110	18.5 Å²	18.5	59%	0.588	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.6	178.2	-57.2	4.7	0	0	0	113.1	G175 R317	D173-G175 VanDerWaalsContact C-N 3.34Å; D173-R317 IonicContact OD1-CZ 2.83Å; D173-R317 IonicContact OD1-NH1 3.66Å; D173-R317 PolarHBondContact OD1-NH1 2.81Å; D173-R317 IonicContact OD1-NH2 2.91Å; D173-R317 IonicContact OD2-NH1 2.63Å
174	T	92.8	Very high	96.4	Very high	80 Å²	80	21.2 Å²	21.2	49%	0.491	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14	170.7	53.6	0	0	0	0	114	E172 D176	E172-T174 WeakPolarHBondContact CB-OG1 3.48Å; E172-T174 HydrophobicContact CG-CG2 4.25Å; E172-T174 WeakPolarHBondContact CG-OG1 3.44Å; E172-T174 PolarHBondContact O-N 2.95Å; E172-T174 VanDerWaalsContact OE2-CG2 3.3Å; E172-T174 WeakPolarHBondContact OE2-CG2 3.42Å; E172-T174 PolarHBondContact OE2-OG1 3.48Å; T174-D176 PolarHBondContact OG1-N 2.79Å
175	G	95.3	Very high	96	Very high	21 Å²	21	22 Å²	22	22%	0.216	14%	0.14	C	C	.	.	S	Bend	trans	90.1	-5.9	-171.8	0	0	0	0	0	114.7	E172 D173 I177 Q195	E172-G175 PolarHBondContact O-N 2.85Å; D173-G175 VanDerWaalsContact C-N 3.34Å; G175-I177 WeakPolarHBondContact O-CG1 3.25Å; G175-Q195 WeakPolarHBondContact O-CA 3.23Å; G175-Q195 PolarHBondContact O-N 2.62Å
176	D	98.1	Very high	95.9	Very high	30 Å²	30	25.8 Å²	25.8	16%	0.16	16%	0.16	C	C	.	.			trans	-65.4	137.7	172.6	-82.8	0.7	0	0	0	111	E172 T174 Y178 K192 L193 S194	E172-D176 PolarHBondContact N-O 2.82Å; T174-D176 PolarHBondContact OG1-N 2.79Å; D176-Y178 HydrophobicContact CB-CE2 4.33Å; D176-K192 WeakPolarHBondContact OD2-CE 3.4Å; D176-K192 IonicContact OD2-NZ 2.74Å; D176-K192 PolarHBondContact OD2-NZ 2.82Å; D176-L193 WeakPolarHBondContact CA-O 2.94Å; D176-S194 WeakPolarHBondContact OD1-CA 2.95Å
177	I	98.8	Very high	95.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.3	-171.2	-46.5	178.6	0	0	0	109.9	W122 L169 V171 G175 I179 K192 L193 F197	W122-I177 HydrophobicContact CH2-CD1 3.39Å; W122-I177 HydrophobicContact CZ2-CD1 3.83Å; W122-I177 HydrophobicContact CZ3-CD1 3.83Å; L169-I177 HydrophobicContact CD1-CG2 4.45Å; V171-I177 HydrophobicContact CG1-CG1 4.47Å; V171-I177 HydrophobicContact CG2-CG1 4.38Å; V171-I177 HydrophobicContact CG2-CG2 4.25Å; G175-I177 WeakPolarHBondContact O-CG1 3.25Å; I177-I179 HydrophobicContact CG2-CD1 4.23Å; I177-I179 HydrophobicContact CG2-CG1 3.85Å; I177-K192 CarbonylContact O-C 3.49Å; I177-K192 WeakPolarHBondContact O-CA 3.44Å; I177-L193 HydrophobicContact CB-CB 4.28Å; I177-L193 PolarHBondContact N-O 2.83Å; I177-L193 PolarHBondContact O-N 2.74Å; I177-F197 HydrophobicContact CD1-CD1 4Å; I177-F197 HydrophobicContact CD1-CE1 3.87Å
178	Y	98.9	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122	175.1	-58	-95.6	0	0	0	108.3	L169 Y170 E172 D176 I191 K192 W201 L221 V227	L169-Y178 CarbonylContact C-O 3.46Å; L169-Y178 WeakPolarHBondContact CA-O 3.42Å; L169-Y178 VanDerWaalsContact CB-O 3.27Å; L169-Y178 WeakPolarHBondContact CB-O 3.49Å; Y170-Y178 HydrophobicContact CD1-CD2 4.34Å; Y170-Y178 PolarHBondContact N-O 2.9Å; Y170-Y178 PolarHBondContact O-N 3.37Å; E172-Y178 HydrophobicContact CB-CE2 4.46Å; D176-Y178 HydrophobicContact CB-CE2 4.33Å; Y178-I191 CarbonylContact C-O 3.55Å; Y178-I191 WeakPolarHBondContact CA-O 3.37Å; Y178-K192 HydrophobicContact CD1-CB 4.18Å; Y178-K192 HydrophobicContact CD1-CD 4.5Å; Y178-K192 HydrophobicContact CD1-CG 4.04Å; Y178-K192 HydrophobicContact CE1-CB 4.13Å; Y178-K192 HydrophobicContact CE1-CD 3.63Å; Y178-K192 HydrophobicContact CE1-CG 3.64Å; Y178-K192 WeakPolarHBondContact OH-CE 3.41Å; Y178-K192 PolarHBondContact OH-NZ 2.99Å; Y178-W201 HydrophobicContact CD1-CH2 4.02Å; Y178-W201 HydrophobicContact CD1-CZ2 4.27Å; Y178-W201 AromaticContact CE1-CH2 4Å; Y178-W201 HydrophobicContact CE1-CH2 4Å; Y178-W201 AromaticContact CE1-CZ2 3.78Å; Y178-W201 HydrophobicContact CE1-CZ2 3.78Å; Y178-L221 HydrophobicContact CD1-CD1 4.25Å; Y178-L221 HydrophobicContact CD2-CD1 3.67Å; Y178-L221 HydrophobicContact CD2-CD2 4.3Å; Y178-L221 HydrophobicContact CE1-CD1 4.33Å; Y178-L221 HydrophobicContact CE2-CD1 3.79Å; Y178-L221 HydrophobicContact CE2-CD2 3.59Å; Y178-L221 HydrophobicContact CE2-CG 4.35Å; Y178-L221 HydrophobicContact CG-CD1 3.92Å; Y178-V227 HydrophobicContact CD1-CG1 4Å; Y178-V227 HydrophobicContact CD1-CG2 3.91Å; Y178-V227 HydrophobicContact CE1-CG1 4.47Å; Y178-V227 HydrophobicContact CE1-CG2 3.52Å
179	I	98.9	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.5	-178.2	-54.8	172.4	0	0	0	108.7	V135 L148 F163 L169 I177 L190 I191 L193	V135-I179 HydrophobicContact CB-CD1 4.48Å; V135-I179 HydrophobicContact CG1-CD1 4.35Å; V135-I179 HydrophobicContact CG2-CD1 4.23Å; V135-I179 HydrophobicContact CG2-CG2 4.15Å; L148-I179 HydrophobicContact CD1-CD1 4.4Å; F163-I179 HydrophobicContact CD1-CG2 4.43Å; F163-I179 HydrophobicContact CE1-CD1 3.98Å; F163-I179 HydrophobicContact CE1-CG2 3.92Å; F163-I179 HydrophobicContact CZ-CD1 3.83Å; L169-I179 HydrophobicContact CB-CG1 4.06Å; I177-I179 HydrophobicContact CG2-CD1 4.23Å; I177-I179 HydrophobicContact CG2-CG1 3.85Å; I179-L190 WeakPolarHBondContact O-CA 3.42Å; I179-I191 PolarHBondContact N-O 2.83Å; I179-I191 PolarHBondContact O-N 2.81Å; I179-L193 HydrophobicContact CD1-CD1 3.82Å; I179-L193 HydrophobicContact CD1-CG 4.49Å
180	V	98.5	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	165.5	-89.5	0	0	0	0	109.9	A167 E168 R189 L190 P216 V219 V229	A167-V180 PolarHBondContact N-O 2.97Å; E168-V180 HydrophobicContact CB-CG2 3.88Å; E168-V180 PolarHBondContact N-O 2.84Å; E168-V180 WeakPolarHBondContact O-CG2 3.47Å; E168-V180 PolarHBondContact O-N 3.22Å; V180-R189 WeakPolarHBondContact CA-O 3.41Å; V180-L190 HydrophobicContact CG1-CD1 3.96Å; V180-P216 HydrophobicContact CB-CB 4.45Å; V180-P216 HydrophobicContact CG1-CB 4.04Å; V180-V219 HydrophobicContact CG1-CB 4.33Å; V180-V219 HydrophobicContact CG2-CB 4.16Å; V180-V219 HydrophobicContact CG2-CG1 3.97Å; V180-V229 HydrophobicContact CG1-CG1 3.72Å; V180-V229 HydrophobicContact CG1-CG2 4.46Å
181	D	98.3	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	104.2	-174.7	-178.4	36.1	0	0	0	108.8	F163 D164 N187 N188 R189	F163-D181 HydrophobicContact CD1-CB 4.16Å; D164-D181 PolarHBondContact N-OD1 3.2Å; D181-N187 HydrophobicContact CB-CB 4.41Å; D181-N187 CarbonylContact O-C 3.57Å; D181-N187 VanDerWaalsContact O-C 3.29Å; D181-N187 WeakPolarHBondContact OD2-CB 3.25Å; D181-N187 VanDerWaalsContact OD2-CG 3.27Å; D181-N187 PolarHBondContact OD2-ND2 3.17Å; D181-N188 WeakPolarHBondContact O-CA 3.28Å; D181-N188 PolarHBondContact O-N 2.96Å; D181-R189 HydrophobicContact CB-CG 3.97Å; D181-R189 PolarHBondContact N-O 3.2Å; D181-R189 PolarHBondContact O-N 2.9Å; D181-R189 IonicContact OD2-CZ 2.78Å; D181-R189 IonicContact OD2-NE 2.8Å; D181-R189 PolarHBondContact OD2-NE 3.33Å; D181-R189 IonicContact OD2-NH2 2.87Å; D181-R189 PolarHBondContact OD2-NH2 2.83Å
182	G	91.3	Very high	95.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.16	C	C	.	.			trans	157.8	37.7	-173	0	0	0	0	0	117.6	N165 G184 N187 I215	N165-G182 PolarHBondContact O-N 2.85Å; G182-G184 PolarHBondContact O-N 2.84Å; G182-N187 WeakPolarHBondContact CA-O 3.17Å; G182-I215 WeakPolarHBondContact O-CA 3.27Å
183	D	92.6	Very high	96	Very high	38 Å²	38	24.2 Å²	24.2	20%	0.203	15%	0.153	C	C	.	.	S	Bend	trans	-72.2	74.9	162.2	176.7	41.4	0	0	0	110.4	H108 N165 A167 G185	H108-D183 IonicContact CD2-OD2 3.87Å; H108-D183 PolarHBondContact CD2-OD2 2.72Å; H108-D183 IonicContact NE2-OD1 2.85Å; H108-D183 IonicContact NE2-OD2 2.69Å; H108-D183 PolarHBondContact NE2-OD2 2.89Å; N165-D183 HydrophobicContact CB-CB 4.05Å; N165-D183 WeakPolarHBondContact CB-O 3.41Å; N165-D183 PolarHBondContact ND2-O 2.91Å; N165-D183 PolarHBondContact O-N 3.13Å; A167-D183 HydrophobicContact CB-CB 4Å; D183-G185 PolarHBondContact O-N 2.92Å; D183-G185 VanDerWaalsContact O-N 3.12Å
184	G	88.5	Confident	96.3	Very high	57 Å²	57	19.7 Å²	19.7	59%	0.588	13%	0.13	S	C	*	.	S	Bend	trans	68.9	8.2	176.9	0	0	0	0	0	116.3	G182	G182-G184 PolarHBondContact O-N 2.84Å
185	G	90.1	Very high	96.4	Very high	17 Å²	17	21.4 Å²	21.4	18%	0.175	13%	0.133	C	C	.	.	S	Bend	trans	-78.9	-168.9	176.4	0	0	0	0	0	114.3	D183 N187	D183-G185 PolarHBondContact O-N 2.92Å; D183-G185 VanDerWaalsContact O-N 3.12Å; G185-N187 VanDerWaalsContact C-N 3.31Å
186	L	93.3	Very high	96.5	Very high	113 Å²	113	25.8 Å²	25.8	59%	0.592	15%	0.151	S	C	*	.	S	Bend	trans	-69.3	-28.3	173.3	-66	169	0	0	0	112.8	T156 D164	T156-L186 HydrophobicContact CG2-CB 4.19Å; D164-L186 HydrophobicContact CB-CB 4.46Å; D164-L186 WeakPolarHBondContact OD2-CB 3.5Å; D164-L186 WeakPolarHBondContact OD2-CD1 3.34Å; D164-L186 WeakPolarHBondContact OD2-CG 3.4Å; D164-L186 PolarHBondContact OD2-N 2.86Å
187	N	97.2	Very high	96.4	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.053	16%	0.156	C	C	.	.			trans	-87.1	147.2	179.2	-66.7	-44.7	0	0	0	110.8	G155 T156 D164 D181 G182 G185 R189	G155-N187 PolarHBondContact O-ND2 3.15Å; T156-N187 WeakPolarHBondContact CA-OD1 3.33Å; T156-N187 WeakPolarHBondContact CB-OD1 3.38Å; T156-N187 WeakPolarHBondContact CG2-OD1 3.43Å; D164-N187 WeakPolarHBondContact CB-ND2 3.04Å; D164-N187 PolarHBondContact N-ND2 3.38Å; D164-N187 VanDerWaalsContact N-ND2 3.13Å; D181-N187 HydrophobicContact CB-CB 4.41Å; D181-N187 CarbonylContact O-C 3.57Å; D181-N187 VanDerWaalsContact O-C 3.29Å; D181-N187 WeakPolarHBondContact OD2-CB 3.25Å; D181-N187 VanDerWaalsContact OD2-CG 3.27Å; D181-N187 PolarHBondContact OD2-ND2 3.17Å; G182-N187 WeakPolarHBondContact CA-O 3.17Å; G185-N187 VanDerWaalsContact C-N 3.31Å; N187-R189 HydrophobicContact CB-CG 4.28Å; N187-R189 PolarHBondContact ND2-NH2 2.85Å
188	N	97.8	Very high	96.4	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	19%	0.185	C	C	.	.			trans	-145	76	168.8	-79	-86	0	0	0	107.7	D181 G204 E205 N206 F213 I215 P216	D181-N188 WeakPolarHBondContact O-CA 3.28Å; D181-N188 PolarHBondContact O-N 2.96Å; N188-G204 CarbonylContact O-C 3.35Å; N188-G204 WeakPolarHBondContact O-CA 3.44Å; N188-E205 PolarHBondContact O-N 2.97Å; N188-N206 WeakPolarHBondContact CB-OD1 3.47Å; N188-N206 PolarHBondContact ND2-OD1 2.56Å; N188-F213 HydrophobicContact CB-CB 4.13Å; N188-I215 PolarHBondContact OD1-N 2.89Å; N188-P216 HydrophobicContact CB-CG 4.4Å; N188-P216 WeakPolarHBondContact OD1-CD 3.45Å
189	R	98.3	Very high	96.4	Very high	14 Å²	14	36.2 Å²	36.2	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.4	-166.9	64.1	-171	175.5	170.4	5.6	114.6	T156 Q162 V180 D181 N187 I191 H203	T156-R189 PolarHBondContact O-NH1 2.78Å; Q162-R189 PolarHBondContact O-NH2 2.91Å; V180-R189 WeakPolarHBondContact CA-O 3.41Å; D181-R189 HydrophobicContact CB-CG 3.97Å; D181-R189 PolarHBondContact N-O 3.2Å; D181-R189 PolarHBondContact O-N 2.9Å; D181-R189 IonicContact OD2-CZ 2.78Å; D181-R189 IonicContact OD2-NE 2.8Å; D181-R189 PolarHBondContact OD2-NE 3.33Å; D181-R189 IonicContact OD2-NH2 2.87Å; D181-R189 PolarHBondContact OD2-NH2 2.83Å; N187-R189 HydrophobicContact CB-CG 4.28Å; N187-R189 PolarHBondContact ND2-NH2 2.85Å; R189-I191 HydrophobicContact CG-CD1 4.34Å; R189-I191 HydrophobicContact CG-CG1 4.22Å; R189-H203 CarbonylContact C-O 3.32Å; R189-H203 WeakPolarHBondContact CA-O 3.29Å; R189-H203 WeakPolarHBondContact CB-O 3.16Å
190	L	98.8	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.4	168.2	176.7	70.7	0	0	0	108.3	I179 V180 W201 L202 H203 F213 V219 V227 V229 F240	I179-L190 WeakPolarHBondContact O-CA 3.42Å; V180-L190 HydrophobicContact CG1-CD1 3.96Å; L190-W201 HydrophobicContact CD2-CH2 3.69Å; L190-W201 HydrophobicContact CD2-CZ3 3.56Å; L190-W201 HydrophobicContact CG-CH2 4.23Å; L190-W201 HydrophobicContact CG-CZ3 3.81Å; L190-L202 WeakPolarHBondContact O-CA 3.47Å; L190-H203 PolarHBondContact N-O 2.86Å; L190-H203 PolarHBondContact O-N 2.85Å; L190-H203 VanDerWaalsContact O-O 3.13Å; L190-F213 HydrophobicContact CB-CE2 4.07Å; L190-F213 HydrophobicContact CB-CZ 4.03Å; L190-V219 HydrophobicContact CD1-CG2 3.97Å; L190-V227 HydrophobicContact CD1-CG1 4.46Å; L190-V227 HydrophobicContact CD2-CG1 4.1Å; L190-V229 HydrophobicContact CD1-CG2 3.84Å; L190-V229 HydrophobicContact CD2-CG2 3.78Å; L190-V229 HydrophobicContact CG-CG2 4.28Å; L190-F240 HydrophobicContact CD2-CD2 3.95Å; L190-F240 HydrophobicContact CD2-CE2 4.24Å; L190-F240 HydrophobicContact CD2-CG 4.34Å
191	I	98.6	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.2	179.1	-54.4	162	0	0	0	108.2	L161 F163 Y178 I179 R189 L193 I199 L202	L161-I191 HydrophobicContact CD1-CD1 4.29Å; F163-I191 HydrophobicContact CD1-CD1 4.46Å; F163-I191 HydrophobicContact CE1-CD1 3.94Å; Y178-I191 CarbonylContact C-O 3.55Å; Y178-I191 WeakPolarHBondContact CA-O 3.37Å; I179-I191 PolarHBondContact N-O 2.83Å; I179-I191 PolarHBondContact O-N 2.81Å; R189-I191 HydrophobicContact CG-CD1 4.34Å; R189-I191 HydrophobicContact CG-CG1 4.22Å; I191-L193 HydrophobicContact CG2-CD2 3.61Å; I191-L193 HydrophobicContact CG2-CG 4.16Å; I191-I199 HydrophobicContact CG2-CG1 4.44Å; I191-I199 HydrophobicContact CG2-CG2 4.44Å; I191-L202 HydrophobicContact CG1-CD1 3.88Å; I191-L202 HydrophobicContact CG1-CG 4.06Å
192	K	98.8	Very high	96.3	Very high	7 Å²	7	44 Å²	44	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.3	164.2	-172.1	-174.1	179.2	-179	0	109.7	D176 I177 Y178 L200 W201 K242	D176-K192 WeakPolarHBondContact OD2-CE 3.4Å; D176-K192 IonicContact OD2-NZ 2.74Å; D176-K192 PolarHBondContact OD2-NZ 2.82Å; I177-K192 CarbonylContact O-C 3.49Å; I177-K192 WeakPolarHBondContact O-CA 3.44Å; Y178-K192 HydrophobicContact CD1-CB 4.18Å; Y178-K192 HydrophobicContact CD1-CD 4.5Å; Y178-K192 HydrophobicContact CD1-CG 4.04Å; Y178-K192 HydrophobicContact CE1-CB 4.13Å; Y178-K192 HydrophobicContact CE1-CD 3.63Å; Y178-K192 HydrophobicContact CE1-CG 3.64Å; Y178-K192 WeakPolarHBondContact OH-CE 3.41Å; Y178-K192 PolarHBondContact OH-NZ 2.99Å; K192-L200 HydrophobicContact CB-CB 4.48Å; K192-L200 HydrophobicContact CD-CB 4.2Å; K192-L200 HydrophobicContact CD-CD1 3.97Å; K192-L200 HydrophobicContact CG-CB 4.26Å; K192-L200 HydrophobicContact CG-CD1 4.14Å; K192-L200 PolarHBondContact O-N 3.19Å; K192-W201 HydrophobicContact CB-CD2 3.54Å; K192-W201 HydrophobicContact CB-CE3 3.72Å; K192-W201 HydrophobicContact CB-CG 4.17Å; K192-W201 HydrophobicContact CB-CH2 3.93Å; K192-W201 HydrophobicContact CB-CZ2 3.77Å; K192-W201 HydrophobicContact CB-CZ3 3.9Å; K192-W201 HydrophobicContact CD-CD2 4.26Å; K192-W201 HydrophobicContact CD-CZ2 3.77Å; K192-W201 VanDerWaalsContact CD-NE1 3.33Å; K192-W201 HydrophobicContact CG-CZ2 4.26Å; K192-W201 PolarHBondContact N-O 2.92Å; K192-K242 WeakPolarHBondContact CD-O 3.3Å; K192-K242 PolarHBondContact NZ-O 3.33Å
193	L	98.8	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.2	170.5	-50.7	-180	0	0	0	110	L148 L161 D176 I177 I179 I191 M198 I199	L148-L193 HydrophobicContact CD1-CD1 3.88Å; L161-L193 HydrophobicContact CD2-CD1 4.19Å; L161-L193 HydrophobicContact CD2-CD2 4.16Å; D176-L193 WeakPolarHBondContact CA-O 2.94Å; I177-L193 HydrophobicContact CB-CB 4.28Å; I177-L193 PolarHBondContact N-O 2.83Å; I177-L193 PolarHBondContact O-N 2.74Å; I179-L193 HydrophobicContact CD1-CD1 3.82Å; I179-L193 HydrophobicContact CD1-CG 4.49Å; I191-L193 HydrophobicContact CG2-CD2 3.61Å; I191-L193 HydrophobicContact CG2-CG 4.16Å; L193-M198 CarbonylContact C-O 3.5Å; L193-M198 VanDerWaalsContact CA-O 3.28Å; L193-M198 WeakPolarHBondContact CA-O 3.4Å; L193-I199 HydrophobicContact CD2-CB 4.22Å; L193-I199 HydrophobicContact CD2-CG1 3.57Å
194	S	98.3	Very high	96.7	Very high	16 Å²	16	46 Å²	46	11%	0.112	26%	0.255	C	S	.	.			trans	-75.4	170.3	162.3	66.3	0	0	0	0	111.7	D176 D196 F197 M198	D176-S194 WeakPolarHBondContact OD1-CA 2.95Å; S194-D196 PolarHBondContact O-N 3.07Å; S194-D196 VanDerWaalsContact O-N 3.12Å; S194-D196 PolarHBondContact OG-N 2.89Å; S194-F197 WeakPolarHBondContact O-CA 3.34Å; S194-F197 PolarHBondContact O-N 3.33Å; S194-M198 PolarHBondContact N-O 3.06Å; S194-M198 PolarHBondContact OG-N 2.96Å
195	Q	95.8	Very high	97	Very high	116 Å²	116	48.6 Å²	48.6	54%	0.542	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.1	169.6	69.3	176.3	4	0	0	113.8	G175 F197	G175-Q195 WeakPolarHBondContact O-CA 3.23Å; G175-Q195 PolarHBondContact O-N 2.62Å; Q195-F197 VanDerWaalsContact C-N 3.27Å; Q195-F197 WeakPolarHBondContact O-CE1 3.35Å; Q195-F197 PolarHBondContact O-N 3.06Å
196	D	96.6	Very high	97.3	Very high	112 Å²	112	52.7 Å²	52.7	60%	0.599	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	13.6	179.2	-58.9	-63.4	0	0	0	112.4	S194 M198	S194-D196 PolarHBondContact O-N 3.07Å; S194-D196 VanDerWaalsContact O-N 3.12Å; S194-D196 PolarHBondContact OG-N 2.89Å; D196-M198 PolarHBondContact O-N 3.23Å
197	F	97.3	Very high	97.4	Very high	60 Å²	60	48.5 Å²	48.5	26%	0.263	25%	0.253	S	S	.	.			trans	62.9	15.7	178.4	-41.3	-48.9	0	0	0	115.8	W122 Q146 L148 I177 S194 Q195	W122-F197 AromaticContact CH2-CE1 3.78Å; W122-F197 HydrophobicContact CH2-CE1 3.78Å; W122-F197 HydrophobicContact CH2-CZ 4.32Å; Q146-F197 HydrophobicContact CG-CD2 4.34Å; Q146-F197 HydrophobicContact CG-CE2 3.65Å; Q146-F197 HydrophobicContact CG-CZ 3.87Å; L148-F197 HydrophobicContact CD1-CD1 4.3Å; L148-F197 HydrophobicContact CD2-CB 4.02Å; L148-F197 HydrophobicContact CD2-CD1 4.04Å; L148-F197 HydrophobicContact CD2-CD2 4.02Å; L148-F197 HydrophobicContact CD2-CG 3.72Å; I177-F197 HydrophobicContact CD1-CD1 4Å; I177-F197 HydrophobicContact CD1-CE1 3.87Å; S194-F197 WeakPolarHBondContact O-CA 3.34Å; S194-F197 PolarHBondContact O-N 3.33Å; Q195-F197 VanDerWaalsContact C-N 3.27Å; Q195-F197 WeakPolarHBondContact O-CE1 3.35Å; Q195-F197 PolarHBondContact O-N 3.06Å
198	M	97.8	Very high	97.5	Very high	128 Å²	128	53.2 Å²	53.2	63%	0.631	28%	0.283	S	S	*	.			trans	-76.6	132.8	172.1	-62.8	-59.5	-61.7	0	0	109.9	L193 S194 D196 L200	L193-M198 CarbonylContact C-O 3.5Å; L193-M198 VanDerWaalsContact CA-O 3.28Å; L193-M198 WeakPolarHBondContact CA-O 3.4Å; S194-M198 PolarHBondContact N-O 3.06Å; S194-M198 PolarHBondContact OG-N 2.96Å; D196-M198 PolarHBondContact O-N 3.23Å; M198-L200 PolarHBondContact O-N 3.14Å
199	I	98.4	Very high	97.5	Very high	62 Å²	62	53.7 Å²	53.7	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.9	174.6	-59.3	166.9	0	0	0	108.8	L158 L161 I191 L193 L202	L158-I199 HydrophobicContact CB-CD1 4.01Å; L158-I199 HydrophobicContact CD2-CD1 4.11Å; L158-I199 HydrophobicContact CG-CD1 4.49Å; L161-I199 HydrophobicContact CD1-CD1 4.43Å; I191-I199 HydrophobicContact CG2-CG1 4.44Å; I191-I199 HydrophobicContact CG2-CG2 4.44Å; L193-I199 HydrophobicContact CD2-CB 4.22Å; L193-I199 HydrophobicContact CD2-CG1 3.57Å; I199-L202 HydrophobicContact CG2-CB 4.43Å
200	L	98.4	Very high	97.4	Very high	87 Å²	87	57 Å²	57	46%	0.455	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-48.5	175.9	-66.3	175	0	0	0	110.5	K192 M198	K192-L200 HydrophobicContact CB-CB 4.48Å; K192-L200 HydrophobicContact CD-CB 4.2Å; K192-L200 HydrophobicContact CD-CD1 3.97Å; K192-L200 HydrophobicContact CG-CB 4.26Å; K192-L200 HydrophobicContact CG-CD1 4.14Å; K192-L200 PolarHBondContact O-N 3.19Å; M198-L200 PolarHBondContact O-N 3.14Å
201	W	98.4	Very high	97.4	Very high	24 Å²	24	58.2 Å²	58.2	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	165.1	170.4	51.2	-114.1	0	0	0	111.2	Y178 L190 K192 H203 V227 K242	Y178-W201 HydrophobicContact CD1-CH2 4.02Å; Y178-W201 HydrophobicContact CD1-CZ2 4.27Å; Y178-W201 AromaticContact CE1-CH2 4Å; Y178-W201 HydrophobicContact CE1-CH2 4Å; Y178-W201 AromaticContact CE1-CZ2 3.78Å; Y178-W201 HydrophobicContact CE1-CZ2 3.78Å; L190-W201 HydrophobicContact CD2-CH2 3.69Å; L190-W201 HydrophobicContact CD2-CZ3 3.56Å; L190-W201 HydrophobicContact CG-CH2 4.23Å; L190-W201 HydrophobicContact CG-CZ3 3.81Å; K192-W201 HydrophobicContact CB-CD2 3.54Å; K192-W201 HydrophobicContact CB-CE3 3.72Å; K192-W201 HydrophobicContact CB-CG 4.17Å; K192-W201 HydrophobicContact CB-CH2 3.93Å; K192-W201 HydrophobicContact CB-CZ2 3.77Å; K192-W201 HydrophobicContact CB-CZ3 3.9Å; K192-W201 HydrophobicContact CD-CD2 4.26Å; K192-W201 HydrophobicContact CD-CZ2 3.77Å; K192-W201 VanDerWaalsContact CD-NE1 3.33Å; K192-W201 HydrophobicContact CG-CZ2 4.26Å; K192-W201 PolarHBondContact N-O 2.92Å; W201-H203 AromaticContact CE3-CD2 3.67Å; W201-V227 HydrophobicContact CH2-CG2 4.29Å; W201-V227 HydrophobicContact CZ2-CG2 4.29Å; W201-K242 PolarHBondContact NE1-O 3.23Å; W201-K242 VanDerWaalsContact NE1-O 3.13Å
202	L	98.1	Very high	97.3	Very high	54 Å²	54	61.6 Å²	61.6	28%	0.283	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	131.8	-179	-176.1	160.2	0	0	0	109.8	L158 L190 I191 I199	L158-L202 HydrophobicContact CD1-CD1 3.95Å; L158-L202 HydrophobicContact CD2-CD1 3.46Å; L158-L202 VanDerWaalsContact CD2-CD1 3.46Å; L158-L202 HydrophobicContact CG-CD1 4.37Å; L190-L202 WeakPolarHBondContact O-CA 3.47Å; I191-L202 HydrophobicContact CG1-CD1 3.88Å; I191-L202 HydrophobicContact CG1-CG 4.06Å; I199-L202 HydrophobicContact CG2-CB 4.43Å
203	H	97.8	Very high	97.3	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.25	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.4	172.6	-65.4	-73.1	0	0	0	110.9	R189 L190 W201 F240 G245	R189-H203 CarbonylContact C-O 3.32Å; R189-H203 WeakPolarHBondContact CA-O 3.29Å; R189-H203 WeakPolarHBondContact CB-O 3.16Å; L190-H203 PolarHBondContact N-O 2.86Å; L190-H203 PolarHBondContact O-N 2.85Å; L190-H203 VanDerWaalsContact O-O 3.13Å; W201-H203 AromaticContact CE3-CD2 3.67Å; H203-F240 HydrophobicContact CB-CE1 4.25Å; H203-G245 PolarHBondContact CD2-O 3.08Å; H203-G245 PolarHBondContact NE2-O 2.88Å
204	G	93.7	Very high	97.3	Very high	26 Å²	26	64.3 Å²	64.3	27%	0.268	35%	0.353	S	S	.	.			trans	121.8	136.6	172.2	0	0	0	0	0	115.4	N188 A211	N188-G204 CarbonylContact O-C 3.35Å; N188-G204 WeakPolarHBondContact O-CA 3.44Å; G204-A211 VanDerWaalsContact CA-O 3.3Å; G204-A211 WeakPolarHBondContact CA-O 3.14Å; G204-A211 PolarHBondContact N-O 3.4Å
205	E	94.4	Very high	97.3	Very high	110 Å²	110	65.8 Å²	65.8	51%	0.514	36%	0.359	S	S	.	.			trans	-151.8	168.1	164.6	57	172.2	164.3	0	0	106.6	N188 G207 K212 F213	N188-E205 PolarHBondContact O-N 2.97Å; E205-G207 PolarHBondContact O-N 3.09Å; E205-K212 HydrophobicContact CG-CD 3.93Å; E205-K212 HydrophobicContact CG-CG 3.93Å; E205-K212 WeakPolarHBondContact O-CA 3.36Å; E205-K212 WeakPolarHBondContact O-CB 3.39Å; E205-K212 WeakPolarHBondContact OE1-CE 3.37Å; E205-K212 IonicContact OE1-NZ 3.29Å; E205-K212 PolarHBondContact OE1-NZ 2.74Å; E205-K212 IonicContact OE2-NZ 3.05Å; E205-F213 PolarHBondContact O-N 3.17Å
206	N	96.4	Very high	97.4	Very high	104 Å²	104	60.3 Å²	60.3	56%	0.556	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-61.8	123.5	-179.7	-62.9	20.3	0	0	0	110.9	N188 F213	N188-N206 WeakPolarHBondContact CB-OD1 3.47Å; N188-N206 PolarHBondContact ND2-OD1 2.56Å; N206-F213 WeakPolarHBondContact CA-O 3.38Å
207	G	96.9	Very high	97.4	Very high	24 Å²	24	55 Å²	55	25%	0.247	31%	0.305	C	S	.	.	S	Bend	trans	159	-179.5	170.9	0	0	0	0	0	115.2	E205 K212 F213 N234	E205-G207 PolarHBondContact O-N 3.09Å; G207-K212 CarbonylContact O-C 3.51Å; G207-F213 PolarHBondContact N-O 2.9Å; G207-F213 CarbonylContact O-C 3.41Å; G207-F213 PolarHBondContact O-N 2.9Å; G207-N234 PolarHBondContact O-ND2 2.83Å
208	T	97.3	Very high	97.5	Very high	109 Å²	109	52.1 Å²	52.1	67%	0.669	29%	0.293	S	S	*	.	S	Bend	trans	-103.3	-8	-175	54.6	0	0	0	0	113.9	N234 R236	T208-N234 WeakPolarHBondContact CG2-OD1 3.44Å; T208-R236 PolarHBondContact O-NH1 2.85Å; T208-R236 PolarHBondContact O-NH2 3.23Å
209	G	97.9	Very high	97.5	Very high	21 Å²	21	46 Å²	46	22%	0.216	26%	0.263	C	S	.	.	S	Bend	trans	-71.4	172.6	-179.5	0	0	0	0	0	113.8	K212 R236	G209-K212 PolarHBondContact O-N 3.07Å; G209-R236 PolarHBondContact O-NH2 2.73Å
210	P	97.6	Very high	97.6	Very high	84 Å²	84	43.3 Å²	43.3	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	138.2	169.1	-25.2	35.5	0	0	0	111.3	K212 W247	P210-K212 PolarHBondContact O-N 2.83Å; P210-W247 HydrophobicContact CB-CD2 3.83Å; P210-W247 HydrophobicContact CB-CE3 4.07Å; P210-W247 HydrophobicContact CB-CG 4.33Å; P210-W247 HydrophobicContact CB-CH2 4.2Å; P210-W247 HydrophobicContact CB-CZ2 3.97Å; P210-W247 HydrophobicContact CB-CZ3 4.25Å; P210-W247 HydrophobicContact CG-CH2 4.22Å; P210-W247 HydrophobicContact CG-CZ2 4.29Å; P210-W247 HydrophobicContact CG-CZ3 4.46Å
211	A	97.4	Very high	97.5	Very high	24 Å²	24	39.7 Å²	39.7	20%	0.198	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	6.3	-178	0	0	0	0	0	116.6	G204 Q238 F240 W247	G204-A211 VanDerWaalsContact CA-O 3.3Å; G204-A211 WeakPolarHBondContact CA-O 3.14Å; G204-A211 PolarHBondContact N-O 3.4Å; A211-Q238 VanDerWaalsContact N-OE1 3.11Å; A211-F240 HydrophobicContact CB-CE1 3.88Å; A211-F240 HydrophobicContact CB-CZ 4.45Å; A211-W247 HydrophobicContact CB-CB 4.4Å
212	K	98.3	Very high	97.4	Very high	72 Å²	72	39.5 Å²	39.5	31%	0.313	23%	0.231	S	C	.	.			trans	-94.4	153.1	165.1	-54.2	-161.9	-174.2	-142.4	0	109.5	E205 G207 G209 P210 R236 Q238	E205-K212 HydrophobicContact CG-CD 3.93Å; E205-K212 HydrophobicContact CG-CG 3.93Å; E205-K212 WeakPolarHBondContact O-CA 3.36Å; E205-K212 WeakPolarHBondContact O-CB 3.39Å; E205-K212 WeakPolarHBondContact OE1-CE 3.37Å; E205-K212 IonicContact OE1-NZ 3.29Å; E205-K212 PolarHBondContact OE1-NZ 2.74Å; E205-K212 IonicContact OE2-NZ 3.05Å; G207-K212 CarbonylContact O-C 3.51Å; G209-K212 PolarHBondContact O-N 3.07Å; P210-K212 PolarHBondContact O-N 2.83Å; K212-R236 PolarHBondContact O-NH2 3.33Å; K212-Q238 PolarHBondContact O-NE2 3.45Å
213	F	98.5	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-128.9	161.6	-178.6	-61.2	-84	0	0	0	112.3	N188 L190 E205 N206 G207 P216 V229 D231 Q238 F240	N188-F213 HydrophobicContact CB-CB 4.13Å; L190-F213 HydrophobicContact CB-CE2 4.07Å; L190-F213 HydrophobicContact CB-CZ 4.03Å; E205-F213 PolarHBondContact O-N 3.17Å; N206-F213 WeakPolarHBondContact CA-O 3.38Å; G207-F213 PolarHBondContact N-O 2.9Å; G207-F213 CarbonylContact O-C 3.41Å; G207-F213 PolarHBondContact O-N 2.9Å; F213-P216 HydrophobicContact CB-CB 3.92Å; F213-P216 HydrophobicContact CB-CG 3.74Å; F213-P216 HydrophobicContact CD1-CB 3.78Å; F213-P216 HydrophobicContact CD1-CG 4.47Å; F213-P216 HydrophobicContact CE1-CB 4.45Å; F213-P216 HydrophobicContact CG-CB 3.91Å; F213-P216 HydrophobicContact CG-CG 4.1Å; F213-V229 HydrophobicContact CD1-CG1 4.14Å; F213-V229 HydrophobicContact CE1-CB 3.95Å; F213-V229 HydrophobicContact CE1-CG1 3.51Å; F213-V229 HydrophobicContact CE1-CG2 4.49Å; F213-V229 HydrophobicContact CZ-CB 4.48Å; F213-V229 HydrophobicContact CZ-CG1 4.21Å; F213-D231 WeakPolarHBondContact CA-OD1 3.24Å; F213-D231 HydrophobicContact CD1-CB 3.98Å; F213-Q238 VanDerWaalsContact CD1-NE2 3.29Å; F213-Q238 HydrophobicContact CE1-CB 4.36Å; F213-Q238 VanDerWaalsContact CE1-NE2 3.29Å; F213-F240 HydrophobicContact CE1-CE2 4.08Å; F213-F240 HydrophobicContact CE1-CZ 4.12Å; F213-F240 HydrophobicContact CE2-CZ 4.2Å; F213-F240 AromaticContact CZ-CE2 3.61Å; F213-F240 HydrophobicContact CZ-CE2 3.61Å; F213-F240 AromaticContact CZ-CZ 3.44Å; F213-F240 HydrophobicContact CZ-CZ 3.44Å; F213-F240 VanDerWaalsContact CZ-CZ 3.44Å
214	N	97.8	Very high	97.1	Very high	64 Å²	64	42 Å²	42	34%	0.342	26%	0.26	S	S	.	.	S	Bend	trans	-143.4	103.2	170.5	178.5	21.9	0	0	0	107.8	D231 G233 N234	N214-D231 PolarHBondContact N-OD1 2.82Å; N214-G233 VanDerWaalsContact ND2-C 3.34Å; N214-G233 PolarHBondContact ND2-O 3.16Å; N214-G233 WeakPolarHBondContact O-CA 3.12Å; N214-G233 PolarHBondContact O-N 2.84Å; N214-N234 HydrophobicContact CB-CB 4.44Å; N214-N234 VanDerWaalsContact CB-CG 3.46Å; N214-N234 VanDerWaalsContact CB-OD1 3.27Å; N214-N234 WeakPolarHBondContact CB-OD1 3.48Å; N214-N234 PolarHBondContact N-ND2 2.82Å
215	I	97.4	Very high	97.2	Very high	47 Å²	47	41.4 Å²	41.4	24%	0.241	26%	0.255	C	S	.	.	S	Bend	trans	55.5	63.7	-170.8	-49.6	171.7	0	0	0	110.9	G182 N188 H217 R232	G182-I215 WeakPolarHBondContact O-CA 3.27Å; N188-I215 PolarHBondContact OD1-N 2.89Å; I215-H217 PolarHBondContact O-N 2.94Å; I215-R232 VanDerWaalsContact O-CB 3.28Å; I215-R232 WeakPolarHBondContact O-CB 3.12Å; I215-R232 PolarHBondContact O-N 3.37Å; I215-R232 VanDerWaalsContact O-N 3.08Å
216	P	98.1	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.4	170	30.5	-31.4	0	0	0	108.9	V180 N188 F213 V229 A230	V180-P216 HydrophobicContact CB-CB 4.45Å; V180-P216 HydrophobicContact CG1-CB 4.04Å; N188-P216 HydrophobicContact CB-CG 4.4Å; N188-P216 WeakPolarHBondContact OD1-CD 3.45Å; F213-P216 HydrophobicContact CB-CB 3.92Å; F213-P216 HydrophobicContact CB-CG 3.74Å; F213-P216 HydrophobicContact CD1-CB 3.78Å; F213-P216 HydrophobicContact CD1-CG 4.47Å; F213-P216 HydrophobicContact CE1-CB 4.45Å; F213-P216 HydrophobicContact CG-CB 3.91Å; F213-P216 HydrophobicContact CG-CG 4.1Å; P216-V229 HydrophobicContact CB-CG1 4.12Å; P216-A230 WeakPolarHBondContact CA-O 3.42Å
217	H	98.1	Very high	97.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-23.6	-156.4	-163.3	-85.7	0	0	0	114.4	H108 I215 A230 R232 S261 H311	H108-H217 AromaticContact CE1-CE1 3.63Å; H108-H217 AromaticContact CE1-NE2 3.57Å; H108-H217 AromaticContact NE2-NE2 3.67Å; I215-H217 PolarHBondContact O-N 2.94Å; H217-A230 PolarHBondContact N-O 3.48Å; H217-R232 HydrophobicContact CB-CB 4.02Å; H217-S261 PolarHBondContact ND1-O 3.48Å; H217-H311 AromaticContact CE1-CE1 3.54Å; H217-H311 AromaticContact CE1-NE2 3.2Å; H217-H311 PolarHBondContact CE1-NE2 3.42Å; H217-H311 AromaticContact NE2-NE2 3.41Å; H217-H311 PolarHBondContact NE2-NE2 2.99Å
218	S	98.6	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	150.7	-179.8	174.1	0	0	0	0	111.2	E168 V229 A230 S261 S262 V263 R264	E168-S218 WeakPolarHBondContact OE2-CA 3.36Å; E168-S218 WeakPolarHBondContact OE2-CB 3.42Å; E168-S218 PolarHBondContact OE2-OG 2.78Å; S218-V229 WeakPolarHBondContact O-CA 3.26Å; S218-A230 PolarHBondContact O-N 3.41Å; S218-S261 VanDerWaalsContact CB-O 3.29Å; S218-S261 WeakPolarHBondContact CB-O 3.4Å; S218-S262 WeakPolarHBondContact OG-CA 3.17Å; S218-V263 PolarHBondContact OG-N 3.25Å; S218-V263 VanDerWaalsContact OG-N 3.07Å; S218-R264 PolarHBondContact OG-NH1 3.44Å
219	V	98.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.4	-178.6	62.2	0	0	0	0	111.6	E168 V180 L190 V227 W228 V229 R264	E168-V219 PolarHBondContact OE2-N 2.95Å; E168-V219 VanDerWaalsContact OE2-N 3.09Å; V180-V219 HydrophobicContact CG1-CB 4.33Å; V180-V219 HydrophobicContact CG2-CB 4.16Å; V180-V219 HydrophobicContact CG2-CG1 3.97Å; L190-V219 HydrophobicContact CD1-CG2 3.97Å; V219-V227 HydrophobicContact CG2-CG1 3.59Å; V219-W228 WeakPolarHBondContact CA-O 3.24Å; V219-V229 HydrophobicContact CB-CG2 4.46Å; V219-V229 HydrophobicContact CG2-CG2 4.06Å; V219-R264 PolarHBondContact O-NH1 3.3Å
220	T	98.6	Very high	97.6	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.2	173.2	-165.3	0	0	0	0	110.7	W228 V263 F265 L272	T220-W228 HydrophobicContact CG2-CB 3.97Å; T220-W228 PolarHBondContact N-O 2.89Å; T220-W228 PolarHBondContact O-N 3.28Å; T220-V263 WeakPolarHBondContact CB-O 3.32Å; T220-V263 HydrophobicContact CG2-CB 4.18Å; T220-V263 HydrophobicContact CG2-CG2 3.92Å; T220-F265 HydrophobicContact CG2-CD2 3.7Å; T220-F265 HydrophobicContact CG2-CE2 3.79Å; T220-L272 HydrophobicContact CG2-CD1 3.9Å
221	L	97.6	Very high	97.7	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.058	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.5	177.6	-89.2	68	0	0	0	110.5	Y170 Y178 R226 V227 K242 F265	Y170-L221 HydrophobicContact CD1-CB 4.47Å; Y170-L221 HydrophobicContact CD1-CD1 3.79Å; Y170-L221 HydrophobicContact CE1-CB 4Å; Y170-L221 HydrophobicContact CE1-CD1 4.15Å; Y170-L221 HydrophobicContact CE1-CD2 4.4Å; Y170-L221 HydrophobicContact CE1-CG 4.4Å; Y170-L221 HydrophobicContact CG-CD1 4.38Å; Y178-L221 HydrophobicContact CD1-CD1 4.25Å; Y178-L221 HydrophobicContact CD2-CD1 3.67Å; Y178-L221 HydrophobicContact CD2-CD2 4.3Å; Y178-L221 HydrophobicContact CE1-CD1 4.33Å; Y178-L221 HydrophobicContact CE2-CD1 3.79Å; Y178-L221 HydrophobicContact CE2-CD2 3.59Å; Y178-L221 HydrophobicContact CE2-CG 4.35Å; Y178-L221 HydrophobicContact CG-CD1 3.92Å; L221-R226 WeakPolarHBondContact CA-O 3.43Å; L221-V227 HydrophobicContact CD1-CB 4.34Å; L221-V227 HydrophobicContact CD1-CG1 4.02Å; L221-V227 HydrophobicContact CD1-CG2 4Å; L221-V227 HydrophobicContact CG-CG2 4.12Å; L221-K242 HydrophobicContact CD2-CB 4.47Å; L221-K242 HydrophobicContact CD2-CD 4.13Å; L221-F265 VanDerWaalsContact O-CD2 3.3Å; L221-F265 WeakPolarHBondContact O-CD2 3.42Å
222	D	96.3	Very high	97.7	Very high	21 Å²	21	22 Å²	22	11%	0.112	13%	0.127	C	C	.	.			trans	-104.2	168	166.3	70.5	25.6	0	0	0	113.1	A224 G225 R226 W228 F265	D222-A224 PolarHBondContact O-N 3.38Å; D222-A224 WeakPolarHBondContact OD1-CA 3.29Å; D222-A224 WeakPolarHBondContact OD1-CB 3.45Å; D222-A224 PolarHBondContact OD1-N 3.13Å; D222-G225 PolarHBondContact O-N 3.09Å; D222-G225 PolarHBondContact OD1-N 3.17Å; D222-R226 PolarHBondContact N-O 3.08Å; D222-R226 WeakPolarHBondContact OD1-CB 3.41Å; D222-R226 PolarHBondContact OD1-N 2.94Å; D222-R226 IonicContact OD1-NE 2.74Å; D222-R226 IonicContact OD2-CZ 2.76Å; D222-R226 IonicContact OD2-NE 3.18Å; D222-R226 PolarHBondContact OD2-NE 2.78Å; D222-R226 IonicContact OD2-NH2 3.79Å; D222-R226 PolarHBondContact OD2-NH2 2.99Å; D222-W228 PolarHBondContact OD2-NE1 3.33Å; D222-F265 HydrophobicContact CB-CD2 4.06Å; D222-F265 HydrophobicContact CB-CE1 4.24Å; D222-F265 HydrophobicContact CB-CE2 3.69Å; D222-F265 HydrophobicContact CB-CG 4.48Å; D222-F265 HydrophobicContact CB-CZ 3.8Å
223	S	93.4	Very high	97.6	Very high	122 Å²	122	20.1 Å²	20.1	85%	0.853	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.4	177.8	57.4	0	0	0	0	114.5
224	A	95.3	Very high	97.6	Very high	37 Å²	37	21.4 Å²	21.4	31%	0.306	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.6	174.3	0	0	0	0	0	112.5	D222 V290	D222-A224 PolarHBondContact O-N 3.38Å; D222-A224 WeakPolarHBondContact OD1-CA 3.29Å; D222-A224 WeakPolarHBondContact OD1-CB 3.45Å; D222-A224 PolarHBondContact OD1-N 3.13Å; A224-V290 HydrophobicContact CB-CG1 4.41Å; A224-V290 HydrophobicContact CB-CG2 4.17Å
225	G	96	Very high	97.6	Very high	15 Å²	15	22.7 Å²	22.7	16%	0.155	14%	0.138	C	C	.	.	S	Bend	trans	80.8	26.1	-179.3	0	0	0	0	0	113.6	D222 K242	D222-G225 PolarHBondContact O-N 3.09Å; D222-G225 PolarHBondContact OD1-N 3.17Å; G225-K242 WeakPolarHBondContact O-CB 3.34Å; G225-K242 VanDerWaalsContact O-CG 3.27Å; G225-K242 WeakPolarHBondContact O-CG 3.4Å; G225-K242 PolarHBondContact O-N 3.43Å
226	R	97.9	Very high	97.7	Very high	12 Å²	12	21.7 Å²	21.7	5%	0.045	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137	177.9	-55.4	178.3	-65.3	-152.3	-4	110.9	L221 D222 W228 V239 F240 L248 P288 P289 G291	L221-R226 WeakPolarHBondContact CA-O 3.43Å; D222-R226 PolarHBondContact N-O 3.08Å; D222-R226 WeakPolarHBondContact OD1-CB 3.41Å; D222-R226 PolarHBondContact OD1-N 2.94Å; D222-R226 IonicContact OD1-NE 2.74Å; D222-R226 IonicContact OD2-CZ 2.76Å; D222-R226 IonicContact OD2-NE 3.18Å; D222-R226 PolarHBondContact OD2-NE 2.78Å; D222-R226 IonicContact OD2-NH2 3.79Å; D222-R226 PolarHBondContact OD2-NH2 2.99Å; R226-W228 VanDerWaalsContact O-CD1 3.31Å; R226-V239 HydrophobicContact CB-CG1 3.74Å; R226-V239 HydrophobicContact CG-CG1 4.4Å; R226-F240 CarbonylContact C-O 3.59Å; R226-F240 WeakPolarHBondContact CA-O 3.48Å; R226-L248 HydrophobicContact CB-CD1 4.39Å; R226-L248 HydrophobicContact CG-CD1 3.76Å; R226-P288 PolarHBondContact NH2-O 3.47Å; R226-P289 PolarHBondContact NH1-O 3.13Å; R226-P289 PolarHBondContact NH2-O 2.94Å; R226-G291 PolarHBondContact NH1-O 2.92Å
227	V	98.6	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.7	175.9	-173	0	0	0	0	109	Y178 L190 W201 V219 L221 V229 V239 F240 K242	Y178-V227 HydrophobicContact CD1-CG1 4Å; Y178-V227 HydrophobicContact CD1-CG2 3.91Å; Y178-V227 HydrophobicContact CE1-CG1 4.47Å; Y178-V227 HydrophobicContact CE1-CG2 3.52Å; L190-V227 HydrophobicContact CD1-CG1 4.46Å; L190-V227 HydrophobicContact CD2-CG1 4.1Å; W201-V227 HydrophobicContact CH2-CG2 4.29Å; W201-V227 HydrophobicContact CZ2-CG2 4.29Å; V219-V227 HydrophobicContact CG2-CG1 3.59Å; L221-V227 HydrophobicContact CD1-CB 4.34Å; L221-V227 HydrophobicContact CD1-CG1 4.02Å; L221-V227 HydrophobicContact CD1-CG2 4Å; L221-V227 HydrophobicContact CG-CG2 4.12Å; V227-V229 HydrophobicContact CG1-CG2 4.35Å; V227-V239 CarbonylContact O-C 3.5Å; V227-V239 VanDerWaalsContact O-CA 3.3Å; V227-V239 WeakPolarHBondContact O-CA 3.22Å; V227-F240 HydrophobicContact CB-CB 4.37Å; V227-F240 PolarHBondContact N-O 2.85Å; V227-F240 PolarHBondContact O-N 2.93Å; V227-K242 HydrophobicContact CG2-CB 3.67Å
228	W	98.8	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	-175.2	-68.3	77.3	0	0	0	110	V219 T220 D222 R226 I237 V239 W251 F265 L272 P288 I293	V219-W228 WeakPolarHBondContact CA-O 3.24Å; T220-W228 HydrophobicContact CG2-CB 3.97Å; T220-W228 PolarHBondContact N-O 2.89Å; T220-W228 PolarHBondContact O-N 3.28Å; D222-W228 PolarHBondContact OD2-NE1 3.33Å; R226-W228 VanDerWaalsContact O-CD1 3.31Å; W228-I237 HydrophobicContact CB-CG2 4.26Å; W228-I237 HydrophobicContact CE3-CG2 3.73Å; W228-I237 HydrophobicContact CZ3-CG2 4.49Å; W228-V239 HydrophobicContact CD2-CG1 4.08Å; W228-V239 HydrophobicContact CD2-CG2 3.81Å; W228-V239 HydrophobicContact CE3-CG2 3.52Å; W228-V239 HydrophobicContact CG-CG1 4.42Å; W228-V239 HydrophobicContact CH2-CG1 4.47Å; W228-V239 HydrophobicContact CH2-CG2 3.63Å; W228-V239 HydrophobicContact CZ2-CG1 3.98Å; W228-V239 HydrophobicContact CZ2-CG2 3.97Å; W228-V239 HydrophobicContact CZ3-CG2 3.41Å; W228-V239 VanDerWaalsContact CZ3-CG2 3.41Å; W228-W251 HydrophobicContact CE3-CE3 4.37Å; W228-W251 HydrophobicContact CE3-CZ3 4.39Å; W228-W251 HydrophobicContact CH2-CD2 4.17Å; W228-W251 AromaticContact CH2-CE2 3.8Å; W228-W251 HydrophobicContact CH2-CE3 4.34Å; W228-W251 AromaticContact CH2-CH2 3.87Å; W228-W251 HydrophobicContact CH2-CH2 3.87Å; W228-W251 AromaticContact CH2-CZ2 3.67Å; W228-W251 HydrophobicContact CH2-CZ2 3.67Å; W228-W251 HydrophobicContact CH2-CZ3 4.18Å; W228-W251 AromaticContact CZ3-CD2 3.63Å; W228-W251 HydrophobicContact CZ3-CD2 3.63Å; W228-W251 AromaticContact CZ3-CE2 3.76Å; W228-W251 AromaticContact CZ3-CE3 3.55Å; W228-W251 HydrophobicContact CZ3-CE3 3.55Å; W228-W251 HydrophobicContact CZ3-CG 4.41Å; W228-W251 AromaticContact CZ3-CH2 3.81Å; W228-W251 HydrophobicContact CZ3-CH2 3.81Å; W228-W251 AromaticContact CZ3-CZ2 3.88Å; W228-W251 HydrophobicContact CZ3-CZ2 3.88Å; W228-W251 AromaticContact CZ3-CZ3 3.62Å; W228-W251 HydrophobicContact CZ3-CZ3 3.62Å; W228-F265 HydrophobicContact CB-CE2 4.28Å; W228-F265 AromaticContact CD1-CE2 3.45Å; W228-F265 VanDerWaalsContact CD1-CE2 3.45Å; W228-F265 AromaticContact CD1-CZ 3.7Å; W228-F265 HydrophobicContact CD2-CE2 4.23Å; W228-F265 AromaticContact CD2-CZ 3.89Å; W228-F265 HydrophobicContact CD2-CZ 3.89Å; W228-F265 AromaticContact CE2-CZ 3.76Å; W228-F265 AromaticContact CG-CE2 3.74Å; W228-F265 HydrophobicContact CG-CE2 3.74Å; W228-F265 AromaticContact CG-CZ 3.9Å; W228-F265 HydrophobicContact CG-CZ 3.9Å; W228-F265 HydrophobicContact CZ2-CZ 4.45Å; W228-F265 AromaticContact NE1-CE2 3.79Å; W228-F265 AromaticContact NE1-CZ 3.56Å; W228-L272 HydrophobicContact CE3-CD2 4.41Å; W228-P288 HydrophobicContact CH2-CG 3.57Å; W228-P288 HydrophobicContact CZ2-CG 3.56Å; W228-I293 HydrophobicContact CH2-CB 4.03Å; W228-I293 HydrophobicContact CH2-CG2 4.18Å; W228-I293 HydrophobicContact CZ2-CB 4.44Å; W228-I293 HydrophobicContact CZ2-CG2 4.15Å
229	V	98.8	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123	-175.5	179.7	0	0	0	0	111.8	V180 L190 F213 P216 S218 V219 V227 D231 I237 Q238 F240	V180-V229 HydrophobicContact CG1-CG1 3.72Å; V180-V229 HydrophobicContact CG1-CG2 4.46Å; L190-V229 HydrophobicContact CD1-CG2 3.84Å; L190-V229 HydrophobicContact CD2-CG2 3.78Å; L190-V229 HydrophobicContact CG-CG2 4.28Å; F213-V229 HydrophobicContact CD1-CG1 4.14Å; F213-V229 HydrophobicContact CE1-CB 3.95Å; F213-V229 HydrophobicContact CE1-CG1 3.51Å; F213-V229 HydrophobicContact CE1-CG2 4.49Å; F213-V229 HydrophobicContact CZ-CB 4.48Å; F213-V229 HydrophobicContact CZ-CG1 4.21Å; P216-V229 HydrophobicContact CB-CG1 4.12Å; S218-V229 WeakPolarHBondContact O-CA 3.26Å; V219-V229 HydrophobicContact CB-CG2 4.46Å; V219-V229 HydrophobicContact CG2-CG2 4.06Å; V227-V229 HydrophobicContact CG1-CG2 4.35Å; V229-D231 PolarHBondContact O-N 2.92Å; V229-D231 VanDerWaalsContact O-N 3.13Å; V229-I237 CarbonylContact O-C 3.54Å; V229-I237 VanDerWaalsContact O-CA 3.28Å; V229-I237 WeakPolarHBondContact O-CA 3.29Å; V229-I237 WeakPolarHBondContact O-CG2 3.32Å; V229-Q238 PolarHBondContact N-O 2.62Å; V229-Q238 PolarHBondContact O-N 3.38Å; V229-F240 HydrophobicContact CG2-CD2 4.39Å; V229-F240 HydrophobicContact CG2-CE2 4.25Å
230	A	98.4	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	100.4	171.3	0	0	0	0	0	109.9	P216 H217 S218 R232 P260 V263	P216-A230 WeakPolarHBondContact CA-O 3.42Å; H217-A230 PolarHBondContact N-O 3.48Å; S218-A230 PolarHBondContact O-N 3.41Å; A230-R232 PolarHBondContact O-N 2.73Å; A230-P260 HydrophobicContact CB-CB 4.01Å; A230-P260 HydrophobicContact CB-CG 3.81Å; A230-V263 HydrophobicContact CB-CG1 3.92Å; A230-V263 HydrophobicContact CB-CG2 4.1Å
231	D	98.4	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	74.2	179.6	-173.1	11	0	0	0	108.5	F213 N214 V229 G233 N234 K235 R236 Q238	F213-D231 WeakPolarHBondContact CA-OD1 3.24Å; F213-D231 HydrophobicContact CD1-CB 3.98Å; N214-D231 PolarHBondContact N-OD1 2.82Å; V229-D231 PolarHBondContact O-N 2.92Å; V229-D231 VanDerWaalsContact O-N 3.13Å; D231-G233 PolarHBondContact O-N 3.36Å; D231-N234 HydrophobicContact CB-CB 4.47Å; D231-N234 VanDerWaalsContact CG-ND2 3.34Å; D231-N234 CarbonylContact O-C 3.39Å; D231-N234 PolarHBondContact O-N 3.01Å; D231-N234 VanDerWaalsContact O-N 3.17Å; D231-N234 PolarHBondContact OD1-ND2 2.95Å; D231-N234 VanDerWaalsContact OD1-ND2 3.16Å; D231-N234 WeakPolarHBondContact OD2-CB 3.43Å; D231-N234 PolarHBondContact OD2-ND2 3.49Å; D231-K235 PolarHBondContact O-N 2.92Å; D231-K235 VanDerWaalsContact O-N 3.13Å; D231-R236 HydrophobicContact CB-CG 3.82Å; D231-R236 PolarHBondContact N-O 2.96Å; D231-R236 PolarHBondContact O-N 2.67Å; D231-R236 IonicContact OD2-CZ 3.77Å; D231-R236 VanDerWaalsContact OD2-CZ 3.29Å; D231-R236 IonicContact OD2-NE 3.79Å; D231-R236 PolarHBondContact OD2-NE 2.82Å; D231-R236 IonicContact OD2-NH2 3.34Å; D231-R236 PolarHBondContact OD2-NH2 3.39Å; D231-Q238 HydrophobicContact CB-CG 4.38Å; D231-Q238 PolarHBondContact OD2-NE2 3.18Å
232	R	97.7	Very high	97.7	Very high	55 Å²	55	24.9 Å²	24.9	21%	0.208	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-48.3	-158.7	-175.3	-179.8	166.7	-125.9	-9.2	112.8	I215 H217 A230 N234 K235 P260	I215-R232 VanDerWaalsContact O-CB 3.28Å; I215-R232 WeakPolarHBondContact O-CB 3.12Å; I215-R232 PolarHBondContact O-N 3.37Å; I215-R232 VanDerWaalsContact O-N 3.08Å; H217-R232 HydrophobicContact CB-CB 4.02Å; A230-R232 PolarHBondContact O-N 2.73Å; R232-N234 VanDerWaalsContact C-N 3.3Å; R232-N234 PolarHBondContact O-N 3.31Å; R232-K235 PolarHBondContact O-N 2.69Å; R232-K235 VanDerWaalsContact O-N 3.09Å; R232-P260 VanDerWaalsContact CB-O 3.22Å; R232-P260 WeakPolarHBondContact CB-O 3.04Å; R232-P260 WeakPolarHBondContact CG-O 3.44Å
233	G	97.4	Very high	97.7	Very high	33 Å²	33	29.1 Å²	29.1	34%	0.34	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.5	-179.7	0	0	0	0	0	113.5	N214 D231 K235	N214-G233 VanDerWaalsContact ND2-C 3.34Å; N214-G233 PolarHBondContact ND2-O 3.16Å; N214-G233 WeakPolarHBondContact O-CA 3.12Å; N214-G233 PolarHBondContact O-N 2.84Å; D231-G233 PolarHBondContact O-N 3.36Å; G233-K235 VanDerWaalsContact C-N 3.31Å
234	N	97.9	Very high	97.9	Very high	28 Å²	28	27 Å²	27	15%	0.15	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.9	171.6	-74.2	-29.4	0	0	0	113.7	G207 T208 N214 D231 R232 R236	G207-N234 PolarHBondContact O-ND2 2.83Å; T208-N234 WeakPolarHBondContact CG2-OD1 3.44Å; N214-N234 HydrophobicContact CB-CB 4.44Å; N214-N234 VanDerWaalsContact CB-CG 3.46Å; N214-N234 VanDerWaalsContact CB-OD1 3.27Å; N214-N234 WeakPolarHBondContact CB-OD1 3.48Å; N214-N234 PolarHBondContact N-ND2 2.82Å; D231-N234 HydrophobicContact CB-CB 4.47Å; D231-N234 VanDerWaalsContact CG-ND2 3.34Å; D231-N234 CarbonylContact O-C 3.39Å; D231-N234 PolarHBondContact O-N 3.01Å; D231-N234 VanDerWaalsContact O-N 3.17Å; D231-N234 PolarHBondContact OD1-ND2 2.95Å; D231-N234 VanDerWaalsContact OD1-ND2 3.16Å; D231-N234 WeakPolarHBondContact OD2-CB 3.43Å; D231-N234 PolarHBondContact OD2-ND2 3.49Å; R232-N234 VanDerWaalsContact C-N 3.3Å; R232-N234 PolarHBondContact O-N 3.31Å; N234-R236 HydrophobicContact CB-CG 4.04Å; N234-R236 PolarHBondContact ND2-NH2 2.9Å; N234-R236 PolarHBondContact O-N 3.26Å
235	K	98	Very high	98	Very high	90 Å²	90	25.3 Å²	25.3	39%	0.391	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	46.8	-179.9	-54.9	-163.4	-168.4	-172.6	0	114.1	D231 R232 G233 F255 T256 E257	D231-K235 PolarHBondContact O-N 2.92Å; D231-K235 VanDerWaalsContact O-N 3.13Å; R232-K235 PolarHBondContact O-N 2.69Å; R232-K235 VanDerWaalsContact O-N 3.09Å; G233-K235 VanDerWaalsContact C-N 3.31Å; K235-F255 WeakPolarHBondContact CB-O 3.44Å; K235-F255 WeakPolarHBondContact O-CB 3.33Å; K235-T256 WeakPolarHBondContact CD-O 3.42Å; K235-T256 PolarHBondContact NZ-O 2.87Å; K235-E257 PolarHBondContact NZ-O 2.84Å
236	R	98.4	Very high	98.1	Very high	26 Å²	26	30.8 Å²	30.8	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.9	-179.8	67.1	-173.8	179.7	-176	-2.6	112.3	T208 G209 K212 D231 N234 Q238 W251 N252 P260	T208-R236 PolarHBondContact O-NH1 2.85Å; T208-R236 PolarHBondContact O-NH2 3.23Å; G209-R236 PolarHBondContact O-NH2 2.73Å; K212-R236 PolarHBondContact O-NH2 3.33Å; D231-R236 HydrophobicContact CB-CG 3.82Å; D231-R236 PolarHBondContact N-O 2.96Å; D231-R236 PolarHBondContact O-N 2.67Å; D231-R236 IonicContact OD2-CZ 3.77Å; D231-R236 VanDerWaalsContact OD2-CZ 3.29Å; D231-R236 IonicContact OD2-NE 3.79Å; D231-R236 PolarHBondContact OD2-NE 2.82Å; D231-R236 IonicContact OD2-NH2 3.34Å; D231-R236 PolarHBondContact OD2-NH2 3.39Å; N234-R236 HydrophobicContact CB-CG 4.04Å; N234-R236 PolarHBondContact ND2-NH2 2.9Å; N234-R236 PolarHBondContact O-N 3.26Å; R236-Q238 HydrophobicContact CG-CG 4.17Å; R236-Q238 VanDerWaalsContact NH2-NE2 3.15Å; R236-W251 CarbonylContact C-O 3.57Å; R236-W251 WeakPolarHBondContact CA-O 3.43Å; R236-W251 VanDerWaalsContact CB-O 3.25Å; R236-W251 WeakPolarHBondContact CB-O 3.4Å; R236-N252 HydrophobicContact CB-CB 4.22Å; R236-P260 WeakPolarHBondContact O-CG 3.42Å
237	I	98.7	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.3	160.6	-56	172.4	0	0	0	107.1	W228 V229 A250 W251 F255 P260 V263 L272 V274	W228-I237 HydrophobicContact CB-CG2 4.26Å; W228-I237 HydrophobicContact CE3-CG2 3.73Å; W228-I237 HydrophobicContact CZ3-CG2 4.49Å; V229-I237 CarbonylContact O-C 3.54Å; V229-I237 VanDerWaalsContact O-CA 3.28Å; V229-I237 WeakPolarHBondContact O-CA 3.29Å; V229-I237 WeakPolarHBondContact O-CG2 3.32Å; I237-A250 CarbonylContact O-C 3.59Å; I237-A250 WeakPolarHBondContact O-CA 3.12Å; I237-A250 WeakPolarHBondContact O-CB 3.4Å; I237-W251 HydrophobicContact CD1-CE3 4.37Å; I237-W251 PolarHBondContact N-O 2.87Å; I237-W251 PolarHBondContact O-N 2.97Å; I237-F255 HydrophobicContact CB-CE2 4.49Å; I237-F255 HydrophobicContact CD1-CE2 3.54Å; I237-F255 HydrophobicContact CD1-CZ 3.52Å; I237-F255 HydrophobicContact CG1-CD2 4.34Å; I237-F255 HydrophobicContact CG1-CE2 3.65Å; I237-F255 HydrophobicContact CG1-CZ 4.1Å; I237-P260 HydrophobicContact CG1-CB 4.29Å; I237-P260 HydrophobicContact CG1-CG 3.73Å; I237-V263 HydrophobicContact CD1-CG1 3.7Å; I237-V263 HydrophobicContact CG1-CG1 4.19Å; I237-L272 HydrophobicContact CD1-CD2 3.69Å; I237-V274 HydrophobicContact CD1-CG2 4.18Å
238	Q	98.3	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149	173	-67	-163.9	88.7	0	0	110.5	A211 K212 F213 V229 D231 R236 F240 A250	A211-Q238 VanDerWaalsContact N-OE1 3.11Å; K212-Q238 PolarHBondContact O-NE2 3.45Å; F213-Q238 VanDerWaalsContact CD1-NE2 3.29Å; F213-Q238 HydrophobicContact CE1-CB 4.36Å; F213-Q238 VanDerWaalsContact CE1-NE2 3.29Å; V229-Q238 PolarHBondContact N-O 2.62Å; V229-Q238 PolarHBondContact O-N 3.38Å; D231-Q238 HydrophobicContact CB-CG 4.38Å; D231-Q238 PolarHBondContact OD2-NE2 3.18Å; R236-Q238 HydrophobicContact CG-CG 4.17Å; R236-Q238 VanDerWaalsContact NH2-NE2 3.15Å; Q238-F240 HydrophobicContact CB-CE2 3.66Å; Q238-F240 HydrophobicContact CB-CZ 4.07Å; Q238-A250 HydrophobicContact CG-CB 4.06Å
239	V	98.5	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.6	-176.1	-163.2	0	0	0	0	110.2	R226 V227 W228 L248 G249 I293	R226-V239 HydrophobicContact CB-CG1 3.74Å; R226-V239 HydrophobicContact CG-CG1 4.4Å; V227-V239 CarbonylContact O-C 3.5Å; V227-V239 VanDerWaalsContact O-CA 3.3Å; V227-V239 WeakPolarHBondContact O-CA 3.22Å; W228-V239 HydrophobicContact CD2-CG1 4.08Å; W228-V239 HydrophobicContact CD2-CG2 3.81Å; W228-V239 HydrophobicContact CE3-CG2 3.52Å; W228-V239 HydrophobicContact CG-CG1 4.42Å; W228-V239 HydrophobicContact CH2-CG1 4.47Å; W228-V239 HydrophobicContact CH2-CG2 3.63Å; W228-V239 HydrophobicContact CZ2-CG1 3.98Å; W228-V239 HydrophobicContact CZ2-CG2 3.97Å; W228-V239 HydrophobicContact CZ3-CG2 3.41Å; W228-V239 VanDerWaalsContact CZ3-CG2 3.41Å; V239-L248 HydrophobicContact CB-CB 4.38Å; V239-L248 HydrophobicContact CG1-CB 4.42Å; V239-L248 HydrophobicContact CG1-CD1 4.41Å; V239-L248 PolarHBondContact O-N 3.16Å; V239-G249 PolarHBondContact N-O 3.07Å; V239-G249 PolarHBondContact O-N 3.26Å; V239-I293 HydrophobicContact CB-CD1 4.36Å; V239-I293 HydrophobicContact CB-CG2 4.03Å; V239-I293 HydrophobicContact CG1-CG2 3.83Å; V239-I293 HydrophobicContact CG2-CB 4.48Å; V239-I293 HydrophobicContact CG2-CD1 3.88Å; V239-I293 HydrophobicContact CG2-CG2 4.06Å
240	F	98.6	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.6	-179.4	-55.4	-97.9	0	0	0	110.5	L190 H203 A211 F213 R226 V227 V229 Q238 G245 E246 W247	L190-F240 HydrophobicContact CD2-CD2 3.95Å; L190-F240 HydrophobicContact CD2-CE2 4.24Å; L190-F240 HydrophobicContact CD2-CG 4.34Å; H203-F240 HydrophobicContact CB-CE1 4.25Å; A211-F240 HydrophobicContact CB-CE1 3.88Å; A211-F240 HydrophobicContact CB-CZ 4.45Å; F213-F240 HydrophobicContact CE1-CE2 4.08Å; F213-F240 HydrophobicContact CE1-CZ 4.12Å; F213-F240 HydrophobicContact CE2-CZ 4.2Å; F213-F240 AromaticContact CZ-CE2 3.61Å; F213-F240 HydrophobicContact CZ-CE2 3.61Å; F213-F240 AromaticContact CZ-CZ 3.44Å; F213-F240 HydrophobicContact CZ-CZ 3.44Å; F213-F240 VanDerWaalsContact CZ-CZ 3.44Å; R226-F240 CarbonylContact C-O 3.59Å; R226-F240 WeakPolarHBondContact CA-O 3.48Å; V227-F240 HydrophobicContact CB-CB 4.37Å; V227-F240 PolarHBondContact N-O 2.85Å; V227-F240 PolarHBondContact O-N 2.93Å; V229-F240 HydrophobicContact CG2-CD2 4.39Å; V229-F240 HydrophobicContact CG2-CE2 4.25Å; Q238-F240 HydrophobicContact CB-CE2 3.66Å; Q238-F240 HydrophobicContact CB-CZ 4.07Å; F240-G245 WeakPolarHBondContact CD1-O 3.15Å; F240-E246 CarbonylContact C-O 3.54Å; F240-E246 VanDerWaalsContact CA-O 3.23Å; F240-E246 WeakPolarHBondContact CA-O 3.45Å; F240-W247 HydrophobicContact CD1-CB 4.16Å; F240-W247 HydrophobicContact CE1-CB 4.12Å; F240-W247 AromaticContact CE1-CD1 3.68Å; F240-W247 HydrophobicContact CE1-CG 4.33Å; F240-W247 AromaticContact CZ-CD1 3.86Å
241	D	98	Very high	97.9	Very high	46 Å²	46	40.5 Å²	40.5	25%	0.246	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.9	167.4	-175	-80.2	0	0	0	109.9	D243 T244 G245 E246 L248	D241-D243 VanDerWaalsContact C-N 3.31Å; D241-D243 PolarHBondContact O-N 2.99Å; D241-D243 WeakPolarHBondContact OD1-CA 3.4Å; D241-D243 PolarHBondContact OD1-N 2.94Å; D241-T244 WeakPolarHBondContact CB-OG1 3.36Å; D241-T244 PolarHBondContact OD1-N 2.94Å; D241-T244 PolarHBondContact OD1-OG1 3.34Å; D241-G245 VanDerWaalsContact O-CA 3.24Å; D241-G245 WeakPolarHBondContact O-CA 3.09Å; D241-G245 PolarHBondContact O-N 2.99Å; D241-E246 PolarHBondContact N-O 2.84Å; D241-L248 HydrophobicContact CB-CD1 4.22Å; D241-L248 HydrophobicContact CB-CD2 4.3Å; D241-L248 HydrophobicContact CB-CG 4.35Å
242	K	97.6	Very high	97.6	Very high	38 Å²	38	45.4 Å²	45.4	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.7	-174.6	80.3	162.2	-173.1	162.3	0	114.1	E172 K192 W201 L221 G225 V227	E172-K242 IonicContact OE1-NZ 2.66Å; E172-K242 PolarHBondContact OE1-NZ 2.79Å; E172-K242 IonicContact OE2-NZ 2.97Å; E172-K242 PolarHBondContact OE2-NZ 2.85Å; K192-K242 WeakPolarHBondContact CD-O 3.3Å; K192-K242 PolarHBondContact NZ-O 3.33Å; W201-K242 PolarHBondContact NE1-O 3.23Å; W201-K242 VanDerWaalsContact NE1-O 3.13Å; L221-K242 HydrophobicContact CD2-CB 4.47Å; L221-K242 HydrophobicContact CD2-CD 4.13Å; G225-K242 WeakPolarHBondContact O-CB 3.34Å; G225-K242 VanDerWaalsContact O-CG 3.27Å; G225-K242 WeakPolarHBondContact O-CG 3.4Å; G225-K242 PolarHBondContact O-N 3.43Å; V227-K242 HydrophobicContact CG2-CB 3.67Å
243	D	97.2	Very high	97.4	Very high	110 Å²	110	45.9 Å²	45.9	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-45.3	-173.1	-66.2	-34	0	0	0	110.5	D241	D241-D243 VanDerWaalsContact C-N 3.31Å; D241-D243 PolarHBondContact O-N 2.99Å; D241-D243 WeakPolarHBondContact OD1-CA 3.4Å; D241-D243 PolarHBondContact OD1-N 2.94Å
244	T	97.5	Very high	97.2	Very high	78 Å²	78	45.3 Å²	45.3	48%	0.479	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.2	179.9	70.2	0	0	0	0	114	D241 E246	D241-T244 WeakPolarHBondContact CB-OG1 3.36Å; D241-T244 PolarHBondContact OD1-N 2.94Å; D241-T244 PolarHBondContact OD1-OG1 3.34Å; T244-E246 PolarHBondContact O-N 2.87Å; T244-E246 WeakPolarHBondContact OG1-CB 3.33Å; T244-E246 WeakPolarHBondContact OG1-CG 3.41Å; T244-E246 PolarHBondContact OG1-N 2.91Å; T244-E246 VanDerWaalsContact OG1-N 3.12Å
245	G	97.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.			trans	76.7	0	-169.9	0	0	0	0	0	114.2	H203 F240 D241 W247	H203-G245 PolarHBondContact CD2-O 3.08Å; H203-G245 PolarHBondContact NE2-O 2.88Å; F240-G245 WeakPolarHBondContact CD1-O 3.15Å; D241-G245 VanDerWaalsContact O-CA 3.24Å; D241-G245 WeakPolarHBondContact O-CA 3.09Å; D241-G245 PolarHBondContact O-N 2.99Å; G245-W247 PolarHBondContact O-N 2.85Å
246	E	97.7	Very high	96.8	Very high	131 Å²	131	44.4 Å²	44.4	61%	0.612	24%	0.235	S	C	*	.			trans	-60.5	137.4	-177.8	-74.3	-177.5	160.7	0	0	112.1	F240 D241 T244 L248	F240-E246 CarbonylContact C-O 3.54Å; F240-E246 VanDerWaalsContact CA-O 3.23Å; F240-E246 WeakPolarHBondContact CA-O 3.45Å; D241-E246 PolarHBondContact N-O 2.84Å; T244-E246 PolarHBondContact O-N 2.87Å; T244-E246 WeakPolarHBondContact OG1-CB 3.33Å; T244-E246 WeakPolarHBondContact OG1-CG 3.41Å; T244-E246 PolarHBondContact OG1-N 2.91Å; T244-E246 VanDerWaalsContact OG1-N 3.12Å; E246-L248 PolarHBondContact O-N 2.91Å
247	W	97.9	Very high	96.6	Very high	104 Å²	104	48.8 Å²	48.8	39%	0.394	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.4	177.8	-178.9	86	0	0	0	110.7	P210 A211 F240 G245 G249 A250	P210-W247 HydrophobicContact CB-CD2 3.83Å; P210-W247 HydrophobicContact CB-CE3 4.07Å; P210-W247 HydrophobicContact CB-CG 4.33Å; P210-W247 HydrophobicContact CB-CH2 4.2Å; P210-W247 HydrophobicContact CB-CZ2 3.97Å; P210-W247 HydrophobicContact CB-CZ3 4.25Å; P210-W247 HydrophobicContact CG-CH2 4.22Å; P210-W247 HydrophobicContact CG-CZ2 4.29Å; P210-W247 HydrophobicContact CG-CZ3 4.46Å; A211-W247 HydrophobicContact CB-CB 4.4Å; F240-W247 HydrophobicContact CD1-CB 4.16Å; F240-W247 HydrophobicContact CE1-CB 4.12Å; F240-W247 AromaticContact CE1-CD1 3.68Å; F240-W247 HydrophobicContact CE1-CG 4.33Å; F240-W247 AromaticContact CZ-CD1 3.86Å; G245-W247 PolarHBondContact O-N 2.85Å; W247-G249 VanDerWaalsContact CZ2-C 3.42Å; W247-G249 VanDerWaalsContact CZ2-CA 3.48Å; W247-G249 PolarHBondContact NE1-O 2.91Å; W247-A250 HydrophobicContact CZ2-CB 4.12Å
248	L	97.4	Very high	96.4	Very high	72 Å²	72	49.7 Å²	49.7	38%	0.377	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-18.6	-176.6	-59.8	-179.5	0	0	0	113.2	R226 V239 D241 E246	R226-L248 HydrophobicContact CB-CD1 4.39Å; R226-L248 HydrophobicContact CG-CD1 3.76Å; V239-L248 HydrophobicContact CB-CB 4.38Å; V239-L248 HydrophobicContact CG1-CB 4.42Å; V239-L248 HydrophobicContact CG1-CD1 4.41Å; V239-L248 PolarHBondContact O-N 3.16Å; D241-L248 HydrophobicContact CB-CD1 4.22Å; D241-L248 HydrophobicContact CB-CD2 4.3Å; D241-L248 HydrophobicContact CB-CG 4.35Å; E246-L248 PolarHBondContact O-N 2.91Å
249	G	96.8	Very high	96.3	Very high	8 Å²	8	49.8 Å²	49.8	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-166.9	177.1	0	0	0	0	0	113.7	V239 W247	V239-G249 PolarHBondContact N-O 3.07Å; V239-G249 PolarHBondContact O-N 3.26Å; W247-G249 VanDerWaalsContact CZ2-C 3.42Å; W247-G249 VanDerWaalsContact CZ2-CA 3.48Å; W247-G249 PolarHBondContact NE1-O 2.91Å
250	A	97.5	Very high	96.3	Very high	29 Å²	29	49.8 Å²	49.8	24%	0.24	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.3	174.5	0	0	0	0	0	112.5	I237 Q238 W247	I237-A250 CarbonylContact O-C 3.59Å; I237-A250 WeakPolarHBondContact O-CA 3.12Å; I237-A250 WeakPolarHBondContact O-CB 3.4Å; Q238-A250 HydrophobicContact CG-CB 4.06Å; W247-A250 HydrophobicContact CZ2-CB 4.12Å
251	W	97.6	Very high	96.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.1	168.1	-73.7	-12.1	0	0	0	110.5	W228 R236 I237 F255 L272 V285 A286 P288 I293 G294 C296	W228-W251 HydrophobicContact CE3-CE3 4.37Å; W228-W251 HydrophobicContact CE3-CZ3 4.39Å; W228-W251 HydrophobicContact CH2-CD2 4.17Å; W228-W251 AromaticContact CH2-CE2 3.8Å; W228-W251 HydrophobicContact CH2-CE3 4.34Å; W228-W251 AromaticContact CH2-CH2 3.87Å; W228-W251 HydrophobicContact CH2-CH2 3.87Å; W228-W251 AromaticContact CH2-CZ2 3.67Å; W228-W251 HydrophobicContact CH2-CZ2 3.67Å; W228-W251 HydrophobicContact CH2-CZ3 4.18Å; W228-W251 AromaticContact CZ3-CD2 3.63Å; W228-W251 HydrophobicContact CZ3-CD2 3.63Å; W228-W251 AromaticContact CZ3-CE2 3.76Å; W228-W251 AromaticContact CZ3-CE3 3.55Å; W228-W251 HydrophobicContact CZ3-CE3 3.55Å; W228-W251 HydrophobicContact CZ3-CG 4.41Å; W228-W251 AromaticContact CZ3-CH2 3.81Å; W228-W251 HydrophobicContact CZ3-CH2 3.81Å; W228-W251 AromaticContact CZ3-CZ2 3.88Å; W228-W251 HydrophobicContact CZ3-CZ2 3.88Å; W228-W251 AromaticContact CZ3-CZ3 3.62Å; W228-W251 HydrophobicContact CZ3-CZ3 3.62Å; R236-W251 CarbonylContact C-O 3.57Å; R236-W251 WeakPolarHBondContact CA-O 3.43Å; R236-W251 VanDerWaalsContact CB-O 3.25Å; R236-W251 WeakPolarHBondContact CB-O 3.4Å; I237-W251 HydrophobicContact CD1-CE3 4.37Å; I237-W251 PolarHBondContact N-O 2.87Å; I237-W251 PolarHBondContact O-N 2.97Å; W251-F255 HydrophobicContact CB-CE2 4.36Å; W251-L272 HydrophobicContact CZ3-CD2 4.12Å; W251-V285 HydrophobicContact CE3-CG1 4.22Å; W251-V285 HydrophobicContact CH2-CG1 3.77Å; W251-V285 HydrophobicContact CZ3-CB 4.44Å; W251-V285 HydrophobicContact CZ3-CG1 3.43Å; W251-V285 VanDerWaalsContact CZ3-CG1 3.43Å; W251-A286 WeakPolarHBondContact CH2-O 3.41Å; W251-P288 HydrophobicContact CH2-CG 4.21Å; W251-P288 HydrophobicContact CZ2-CB 4.17Å; W251-P288 HydrophobicContact CZ2-CG 3.77Å; W251-I293 WeakPolarHBondContact CZ2-O 3.35Å; W251-I293 PolarHBondContact NE1-O 2.81Å; W251-G294 PolarHBondContact NE1-O 2.88Å; W251-C296 HydrophobicContact CB-CB 3.88Å; W251-C296 HydrophobicContact CD2-CB 3.48Å; W251-C296 VanDerWaalsContact CD2-CB 3.48Å; W251-C296 HydrophobicContact CE3-CB 3.7Å; W251-C296 HydrophobicContact CG-CB 3.61Å; W251-C296 HydrophobicContact CZ3-CB 4.33Å
252	N	93.9	Very high	96.2	Very high	103 Å²	103	47.6 Å²	47.6	55%	0.551	25%	0.25	S	S	*	.			trans	-120.5	-11.8	179.5	59.8	-10.8	0	0	0	113.3	R236	R236-N252 HydrophobicContact CB-CB 4.22Å
253	N	93.6	Very high	96.2	Very high	65 Å²	65	45.8 Å²	45.8	35%	0.348	24%	0.242	S	C	.	.	S	Bend	trans	-76.6	-27.7	-175.6	66.8	-47.6	0	0	0	114	C296	N253-C296 PolarHBondContact ND2-O 3.36Å; N253-C296 VanDerWaalsContact OD1-CB 3.25Å; N253-C296 WeakPolarHBondContact OD1-CB 3.34Å; N253-C296 PolarHBondContact OD1-N 2.91Å
254	C	93.1	Very high	96.3	Very high	22 Å²	22	40.7 Å²	40.7	15%	0.149	22%	0.215	C	C	.	.	S	Bend	trans	-84.7	-16.7	179.8	-79.1	0	0	0	0	115.7	C296 V298	C254-C296 HydrophobicContact CB-CB 3.83Å; C254-C296 WeakPolarHBondContact CB-SG 3.49Å; C254-C296 WeakPolarHBondContact SG-CB 3.49Å; C254-C296 CovalentContact SG-SG 2.02Å; C254-C296 PolarHBondContact SG-SG 2.8Å; C254-V298 HydrophobicContact CB-CG2 4.22Å
255	F	94.4	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.			trans	-119.2	24.4	-162.9	-52.2	-61.9	0	0	0	113.1	K235 I237 W251 E257 E258 V274 V285	K235-F255 WeakPolarHBondContact CB-O 3.44Å; K235-F255 WeakPolarHBondContact O-CB 3.33Å; I237-F255 HydrophobicContact CB-CE2 4.49Å; I237-F255 HydrophobicContact CD1-CE2 3.54Å; I237-F255 HydrophobicContact CD1-CZ 3.52Å; I237-F255 HydrophobicContact CG1-CD2 4.34Å; I237-F255 HydrophobicContact CG1-CE2 3.65Å; I237-F255 HydrophobicContact CG1-CZ 4.1Å; W251-F255 HydrophobicContact CB-CE2 4.36Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 2.87Å; F255-E258 CarbonylContact O-C 3.46Å; F255-E258 PolarHBondContact O-N 3.29Å; F255-V274 HydrophobicContact CE1-CB 4.39Å; F255-V274 HydrophobicContact CE1-CG1 3.79Å; F255-V274 HydrophobicContact CE1-CG2 4.49Å; F255-V274 HydrophobicContact CZ-CG1 4.21Å; F255-V274 HydrophobicContact CZ-CG2 4.33Å; F255-V285 HydrophobicContact CZ-CG2 4.49Å
256	T	92.3	Very high	96.3	Very high	99 Å²	99	38.4 Å²	38.4	61%	0.607	20%	0.199	S	C	*	.	S	Bend	trans	-58.6	-39.4	-172.6	53.5	0	0	0	0	113.8	K235	K235-T256 WeakPolarHBondContact CD-O 3.42Å; K235-T256 PolarHBondContact NZ-O 2.87Å
257	E	93.4	Very high	96.2	Very high	117 Å²	117	35.4 Å²	35.4	55%	0.547	19%	0.191	S	C	.	.	S	Bend	trans	-69.6	-58.8	176.6	-64.9	173	162	0	0	111.8	K235 F255 L279 R281	K235-E257 PolarHBondContact NZ-O 2.84Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 2.87Å; E257-L279 HydrophobicContact CB-CD1 3.79Å; E257-R281 IonicContact OE2-CZ 3.01Å; E257-R281 IonicContact OE2-NH1 3.21Å; E257-R281 PolarHBondContact OE2-NH1 2.91Å; E257-R281 IonicContact OE2-NH2 2.73Å; E257-R281 PolarHBondContact OE2-NH2 3.05Å; E257-R281 VanDerWaalsContact OE2-NH2 3.07Å
258	E	94.9	Very high	96	Very high	19 Å²	19	34.3 Å²	34.3	9%	0.089	19%	0.193	C	C	.	.	S	Bend	trans	-142.2	140.8	178.7	-164.8	-166.9	-176	0	0	110.8	F255 Q276 L277 N278 L279	F255-E258 CarbonylContact O-C 3.46Å; F255-E258 PolarHBondContact O-N 3.29Å; E258-Q276 PolarHBondContact O-NE2 3.3Å; E258-L277 PolarHBondContact OE2-N 3.09Å; E258-N278 VanDerWaalsContact CD-N 3.25Å; E258-N278 WeakPolarHBondContact OE1-CB 3.16Å; E258-N278 PolarHBondContact OE1-N 3.36Å; E258-N278 PolarHBondContact OE1-ND2 2.86Å; E258-N278 WeakPolarHBondContact OE2-CA 3.45Å; E258-N278 PolarHBondContact OE2-N 2.85Å; E258-L279 HydrophobicContact CB-CD1 3.59Å; E258-L279 HydrophobicContact CB-CG 3.83Å; E258-L279 WeakPolarHBondContact OE2-CG 3.25Å; E258-L279 PolarHBondContact OE2-N 3.32Å
259	G	96.2	Very high	95.9	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	19%	0.191	C	C	.	.			trans	-69.1	158.7	173.4	0	0	0	0	0	114.5
260	P	97.9	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.			trans	-70.5	134.8	179.6	32.5	-38	0	0	0	111.3	A230 R232 R236 I237 V263 V274 A275	A230-P260 HydrophobicContact CB-CB 4.01Å; A230-P260 HydrophobicContact CB-CG 3.81Å; R232-P260 VanDerWaalsContact CB-O 3.22Å; R232-P260 WeakPolarHBondContact CB-O 3.04Å; R232-P260 WeakPolarHBondContact CG-O 3.44Å; R236-P260 WeakPolarHBondContact O-CG 3.42Å; I237-P260 HydrophobicContact CG1-CB 4.29Å; I237-P260 HydrophobicContact CG1-CG 3.73Å; P260-V263 HydrophobicContact CB-CG1 4.31Å; P260-V274 HydrophobicContact CB-CG1 3.44Å; P260-V274 VanDerWaalsContact CB-CG1 3.44Å; P260-A275 WeakPolarHBondContact CA-O 3.42Å
261	S	97	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-93.4	-32.3	169.8	57.9	0	0	0	0	112.7	H217 S218 A275 P310 H311	H217-S261 PolarHBondContact ND1-O 3.48Å; S218-S261 VanDerWaalsContact CB-O 3.29Å; S218-S261 WeakPolarHBondContact CB-O 3.4Å; S261-A275 PolarHBondContact N-O 2.85Å; S261-A275 WeakPolarHBondContact OG-CB 3.48Å; S261-A275 PolarHBondContact OG-O 3.19Å; S261-P310 PolarHBondContact OG-O 3.42Å; S261-H311 WeakPolarHBondContact CB-O 2.99Å; S261-H311 PolarHBondContact OG-O 3.48Å
262	S	98.3	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.7	-178.3	-165.1	0	0	0	0	111.3	S218 V274 A275 H311 L313	S218-S262 WeakPolarHBondContact OG-CA 3.17Å; S262-V274 CarbonylContact O-C 3.29Å; S262-V274 VanDerWaalsContact O-CA 3.29Å; S262-V274 WeakPolarHBondContact O-CA 3.48Å; S262-A275 PolarHBondContact O-N 3.16Å; S262-H311 WeakPolarHBondContact CB-O 3.41Å; S262-L313 PolarHBondContact OG-N 3.5Å; S262-L313 VanDerWaalsContact OG-N 3.07Å
263	V	98.6	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129	-178.8	-68.5	0	0	0	0	110.4	S218 T220 A230 I237 P260 L272 I273 V274	S218-V263 PolarHBondContact OG-N 3.25Å; S218-V263 VanDerWaalsContact OG-N 3.07Å; T220-V263 WeakPolarHBondContact CB-O 3.32Å; T220-V263 HydrophobicContact CG2-CB 4.18Å; T220-V263 HydrophobicContact CG2-CG2 3.92Å; A230-V263 HydrophobicContact CB-CG1 3.92Å; A230-V263 HydrophobicContact CB-CG2 4.1Å; I237-V263 HydrophobicContact CD1-CG1 3.7Å; I237-V263 HydrophobicContact CG1-CG1 4.19Å; P260-V263 HydrophobicContact CB-CG1 4.31Å; V263-L272 HydrophobicContact CB-CD1 4.21Å; V263-L272 HydrophobicContact CB-CD2 4.43Å; V263-L272 HydrophobicContact CG1-CD2 4.33Å; V263-I273 WeakPolarHBondContact CA-O 3.17Å; V263-V274 HydrophobicContact CG1-CG1 4.24Å; V263-V274 HydrophobicContact CG1-CG2 4.3Å
264	R	98.6	Very high	96.3	Very high	3 Å²	3	31 Å²	31	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.8	173	-71	-60.8	-169.2	-77.3	-13.4	112.2	E168 S218 V219 I273 L313 E314 V315	E168-R264 VanDerWaalsContact CD-NH1 3.28Å; E168-R264 IonicContact OE1-CZ 2.94Å; E168-R264 IonicContact OE1-NH1 2.93Å; E168-R264 PolarHBondContact OE1-NH1 2.94Å; E168-R264 IonicContact OE1-NH2 3.28Å; E168-R264 PolarHBondContact OE1-NH2 3.17Å; E168-R264 IonicContact OE2-CZ 2.64Å; E168-R264 IonicContact OE2-NH1 2.88Å; E168-R264 PolarHBondContact OE2-NH1 2.84Å; E168-R264 IonicContact OE2-NH2 2.81Å; S218-R264 PolarHBondContact OG-NH1 3.44Å; V219-R264 PolarHBondContact O-NH1 3.3Å; R264-I273 PolarHBondContact N-O 2.87Å; R264-I273 PolarHBondContact O-N 2.7Å; R264-L313 HydrophobicContact CB-CD1 3.7Å; R264-L313 HydrophobicContact CG-CD1 3.71Å; R264-E314 WeakPolarHBondContact CD-OE1 3.18Å; R264-E314 WeakPolarHBondContact CG-OE1 3.43Å; R264-E314 IonicContact CZ-OE2 3.74Å; R264-E314 VanDerWaalsContact CZ-OE2 3.28Å; R264-E314 IonicContact NE-OE1 3.89Å; R264-E314 PolarHBondContact NE-OE1 3.11Å; R264-E314 IonicContact NE-OE2 3.19Å; R264-E314 PolarHBondContact NE-OE2 3.26Å; R264-E314 IonicContact NH2-OE2 3.09Å; R264-E314 PolarHBondContact NH2-OE2 3.42Å; R264-V315 HydrophobicContact CB-CB 4.38Å; R264-V315 HydrophobicContact CB-CG2 3.65Å
265	F	98.2	Very high	96.5	Very high	25 Å²	25	30 Å²	30	11%	0.11	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	149.7	175	-77.2	-80.4	0	0	0	112.6	T220 L221 D222 W228 Y271 L272 A287	T220-F265 HydrophobicContact CG2-CD2 3.7Å; T220-F265 HydrophobicContact CG2-CE2 3.79Å; L221-F265 VanDerWaalsContact O-CD2 3.3Å; L221-F265 WeakPolarHBondContact O-CD2 3.42Å; D222-F265 HydrophobicContact CB-CD2 4.06Å; D222-F265 HydrophobicContact CB-CE1 4.24Å; D222-F265 HydrophobicContact CB-CE2 3.69Å; D222-F265 HydrophobicContact CB-CG 4.48Å; D222-F265 HydrophobicContact CB-CZ 3.8Å; W228-F265 HydrophobicContact CB-CE2 4.28Å; W228-F265 AromaticContact CD1-CE2 3.45Å; W228-F265 VanDerWaalsContact CD1-CE2 3.45Å; W228-F265 AromaticContact CD1-CZ 3.7Å; W228-F265 HydrophobicContact CD2-CE2 4.23Å; W228-F265 AromaticContact CD2-CZ 3.89Å; W228-F265 HydrophobicContact CD2-CZ 3.89Å; W228-F265 AromaticContact CE2-CZ 3.76Å; W228-F265 AromaticContact CG-CE2 3.74Å; W228-F265 HydrophobicContact CG-CE2 3.74Å; W228-F265 AromaticContact CG-CZ 3.9Å; W228-F265 HydrophobicContact CG-CZ 3.9Å; W228-F265 HydrophobicContact CZ2-CZ 4.45Å; W228-F265 AromaticContact NE1-CE2 3.79Å; W228-F265 AromaticContact NE1-CZ 3.56Å; F265-Y271 CarbonylContact C-O 3.5Å; F265-Y271 WeakPolarHBondContact CA-O 3.31Å; F265-Y271 WeakPolarHBondContact CD1-O 3.47Å; F265-L272 HydrophobicContact CD1-CB 4.16Å; F265-L272 HydrophobicContact CD1-CD1 3.96Å; F265-L272 HydrophobicContact CD2-CD1 3.69Å; F265-L272 HydrophobicContact CE1-CB 3.91Å; F265-L272 HydrophobicContact CE1-CD1 3.89Å; F265-L272 HydrophobicContact CE1-CG 4.44Å; F265-L272 HydrophobicContact CE2-CD1 3.6Å; F265-L272 HydrophobicContact CG-CD1 3.87Å; F265-L272 HydrophobicContact CZ-CB 4.39Å; F265-L272 HydrophobicContact CZ-CD1 3.7Å; F265-L272 HydrophobicContact CZ-CG 4.47Å; F265-A287 HydrophobicContact CD1-CB 4.06Å; F265-A287 HydrophobicContact CE1-CB 3.73Å
266	T	97.5	Very high	96.7	Very high	6 Å²	6	30 Å²	30	4%	0.037	16%	0.161	C	C	.	.			trans	-71.9	153.8	166.6	56.6	0	0	0	0	110.9	Y46 D268 G269 K270 Y271 I273	Y46-T266 WeakPolarHBondContact OH-CG2 3.47Å; T266-D268 WeakPolarHBondContact CB-OD1 3.22Å; T266-D268 PolarHBondContact O-N 2.73Å; T266-D268 VanDerWaalsContact O-N 3.15Å; T266-D268 PolarHBondContact OG1-OD1 3.23Å; T266-G269 WeakPolarHBondContact O-CA 3.25Å; T266-G269 PolarHBondContact O-N 2.87Å; T266-K270 PolarHBondContact OG1-N 3.1Å; T266-Y271 HydrophobicContact CG2-CD2 4.29Å; T266-Y271 PolarHBondContact N-O 2.84Å; T266-Y271 PolarHBondContact OG1-N 3.41Å; T266-Y271 PolarHBondContact OG1-O 3.2Å; T266-I273 HydrophobicContact CG2-CD1 3.85Å; T266-I273 HydrophobicContact CG2-CG1 4.03Å
267	P	95.6	Very high	96.9	Very high	68 Å²	68	25.9 Å²	25.9	44%	0.442	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.6	-171.5	-18.3	32	0	0	0	113.6	G269 V315 D316 R317	P267-G269 VanDerWaalsContact C-N 3.26Å; P267-V315 HydrophobicContact CG-CG1 4.36Å; P267-D316 VanDerWaalsContact CG-O 3.23Å; P267-D316 WeakPolarHBondContact CG-O 3.39Å; P267-R317 VanDerWaalsContact CB-O 3.25Å; P267-R317 WeakPolarHBondContact CB-O 3.1Å
268	D	94.1	Very high	97	Very high	81 Å²	81	25.2 Å²	25.2	43%	0.433	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.9	174.5	69.8	-12.3	0	0	0	113.7	T266 K270	T266-D268 WeakPolarHBondContact CB-OD1 3.22Å; T266-D268 PolarHBondContact O-N 2.73Å; T266-D268 VanDerWaalsContact O-N 3.15Å; T266-D268 PolarHBondContact OG1-OD1 3.23Å; D268-K270 HydrophobicContact CB-CG 4.35Å; D268-K270 PolarHBondContact O-N 2.93Å; D268-K270 VanDerWaalsContact O-N 3.14Å; D268-K270 PolarHBondContact OD1-N 3.24Å; D268-K270 VanDerWaalsContact OD1-N 3.16Å; D268-K270 WeakPolarHBondContact OD2-CD 3.24Å; D268-K270 WeakPolarHBondContact OD2-CE 3.11Å; D268-K270 WeakPolarHBondContact OD2-CG 3.36Å; D268-K270 IonicContact OD2-NZ 3.07Å; D268-K270 PolarHBondContact OD2-NZ 2.8Å
269	G	94.7	Very high	97.1	Very high	33 Å²	33	26.8 Å²	26.8	34%	0.34	14%	0.144	S	C	.	.	S	Bend	trans	63.8	12.3	180	0	0	0	0	0	114.9	T266 P267 A287	T266-G269 WeakPolarHBondContact O-CA 3.25Å; T266-G269 PolarHBondContact O-N 2.87Å; P267-G269 VanDerWaalsContact C-N 3.26Å; G269-A287 WeakPolarHBondContact O-CB 3.3Å
270	K	94.5	Very high	97.2	Very high	120 Å²	120	26.9 Å²	26.9	52%	0.522	14%	0.144	S	C	.	.	S	Bend	trans	-85.9	-25.7	-175.7	-64.2	-165.8	-163.2	92.3	0	114.1	T266 D268 A287	T266-K270 PolarHBondContact OG1-N 3.1Å; D268-K270 HydrophobicContact CB-CG 4.35Å; D268-K270 PolarHBondContact O-N 2.93Å; D268-K270 VanDerWaalsContact O-N 3.14Å; D268-K270 PolarHBondContact OD1-N 3.24Å; D268-K270 VanDerWaalsContact OD1-N 3.16Å; D268-K270 WeakPolarHBondContact OD2-CD 3.24Å; D268-K270 WeakPolarHBondContact OD2-CE 3.11Å; D268-K270 WeakPolarHBondContact OD2-CG 3.36Å; D268-K270 IonicContact OD2-NZ 3.07Å; D268-K270 PolarHBondContact OD2-NZ 2.8Å; K270-A287 VanDerWaalsContact C-CB 3.5Å; K270-A287 WeakPolarHBondContact O-CB 3.5Å; K270-A287 PolarHBondContact O-N 2.82Å
271	Y	97	Very high	97.1	Very high	55 Å²	55	28.9 Å²	28.9	22%	0.216	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.3	-175.1	-52.4	-71.2	0	0	0	112.4	L45 F265 T266 V284 V285 I299	L45-Y271 HydrophobicContact CD1-CE1 4.21Å; L45-Y271 HydrophobicContact CD1-CE2 4.31Å; F265-Y271 CarbonylContact C-O 3.5Å; F265-Y271 WeakPolarHBondContact CA-O 3.31Å; F265-Y271 WeakPolarHBondContact CD1-O 3.47Å; T266-Y271 HydrophobicContact CG2-CD2 4.29Å; T266-Y271 PolarHBondContact N-O 2.84Å; T266-Y271 PolarHBondContact OG1-N 3.41Å; T266-Y271 PolarHBondContact OG1-O 3.2Å; Y271-V284 HydrophobicContact CD1-CG1 3.8Å; Y271-V284 HydrophobicContact CD2-CG1 4.42Å; Y271-V284 HydrophobicContact CG-CG1 3.71Å; Y271-V285 CarbonylContact C-O 3.52Å; Y271-V285 WeakPolarHBondContact CA-O 3.43Å; Y271-V285 WeakPolarHBondContact CB-O 3.43Å; Y271-I299 HydrophobicContact CE1-CG1 4.46Å; Y271-I299 HydrophobicContact CE1-CG2 4.34Å
272	L	98.3	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121	163.1	-175.4	74.5	0	0	0	108.1	T220 W228 I237 W251 V263 F265 V274 V285	T220-L272 HydrophobicContact CG2-CD1 3.9Å; W228-L272 HydrophobicContact CE3-CD2 4.41Å; I237-L272 HydrophobicContact CD1-CD2 3.69Å; W251-L272 HydrophobicContact CZ3-CD2 4.12Å; V263-L272 HydrophobicContact CB-CD1 4.21Å; V263-L272 HydrophobicContact CB-CD2 4.43Å; V263-L272 HydrophobicContact CG1-CD2 4.33Å; F265-L272 HydrophobicContact CD1-CB 4.16Å; F265-L272 HydrophobicContact CD1-CD1 3.96Å; F265-L272 HydrophobicContact CD2-CD1 3.69Å; F265-L272 HydrophobicContact CE1-CB 3.91Å; F265-L272 HydrophobicContact CE1-CD1 3.89Å; F265-L272 HydrophobicContact CE1-CG 4.44Å; F265-L272 HydrophobicContact CE2-CD1 3.6Å; F265-L272 HydrophobicContact CG-CD1 3.87Å; F265-L272 HydrophobicContact CZ-CB 4.39Å; F265-L272 HydrophobicContact CZ-CD1 3.7Å; F265-L272 HydrophobicContact CZ-CG 4.47Å; L272-V274 HydrophobicContact CD2-CG2 3.91Å; L272-V274 HydrophobicContact CG-CG2 3.96Å; L272-V285 HydrophobicContact CB-CB 4.37Å; L272-V285 PolarHBondContact N-O 2.89Å; L272-V285 PolarHBondContact O-N 3.49Å
273	I	98.5	Very high	97.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129	172.6	-46	-59.1	0	0	0	108.1	Y46 V263 R264 T266 V284 L313 V315 V322	Y46-I273 HydrophobicContact CE2-CD1 3.88Å; V263-I273 WeakPolarHBondContact CA-O 3.17Å; R264-I273 PolarHBondContact N-O 2.87Å; R264-I273 PolarHBondContact O-N 2.7Å; T266-I273 HydrophobicContact CG2-CD1 3.85Å; T266-I273 HydrophobicContact CG2-CG1 4.03Å; I273-V284 HydrophobicContact CD1-CB 4.38Å; I273-V284 HydrophobicContact CD1-CG1 3.92Å; I273-V284 HydrophobicContact CD1-CG2 3.98Å; I273-L313 HydrophobicContact CB-CD1 4.25Å; I273-L313 HydrophobicContact CB-CD2 4.49Å; I273-L313 HydrophobicContact CG2-CD1 4.22Å; I273-L313 HydrophobicContact CG2-CD2 3.7Å; I273-V315 HydrophobicContact CB-CG2 4.48Å; I273-V315 HydrophobicContact CG1-CG2 4.03Å; I273-V322 HydrophobicContact CD1-CG2 4.5Å; I273-V322 HydrophobicContact CG1-CG2 4.14Å; I273-V322 HydrophobicContact CG2-CG1 4.1Å; I273-V322 HydrophobicContact CG2-CG2 4.38Å
274	V	98.6	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.2	-173.9	-172.7	0	0	0	0	110.8	I237 F255 P260 S262 V263 L272 L282 S283 V285	I237-V274 HydrophobicContact CD1-CG2 4.18Å; F255-V274 HydrophobicContact CE1-CB 4.39Å; F255-V274 HydrophobicContact CE1-CG1 3.79Å; F255-V274 HydrophobicContact CE1-CG2 4.49Å; F255-V274 HydrophobicContact CZ-CG1 4.21Å; F255-V274 HydrophobicContact CZ-CG2 4.33Å; P260-V274 HydrophobicContact CB-CG1 3.44Å; P260-V274 VanDerWaalsContact CB-CG1 3.44Å; S262-V274 CarbonylContact O-C 3.29Å; S262-V274 VanDerWaalsContact O-CA 3.29Å; S262-V274 WeakPolarHBondContact O-CA 3.48Å; V263-V274 HydrophobicContact CG1-CG1 4.24Å; V263-V274 HydrophobicContact CG1-CG2 4.3Å; L272-V274 HydrophobicContact CD2-CG2 3.91Å; L272-V274 HydrophobicContact CG-CG2 3.96Å; V274-L282 CarbonylContact O-C 3.57Å; V274-L282 WeakPolarHBondContact O-CA 3.43Å; V274-S283 PolarHBondContact N-O 2.79Å; V274-S283 PolarHBondContact O-N 2.86Å; V274-V285 HydrophobicContact CG2-CG2 3.9Å
275	A	98.5	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.5	170.8	0	0	0	0	0	111.5	P260 S261 S262 L282 P310 L313	P260-A275 WeakPolarHBondContact CA-O 3.42Å; S261-A275 PolarHBondContact N-O 2.85Å; S261-A275 WeakPolarHBondContact OG-CB 3.48Å; S261-A275 PolarHBondContact OG-O 3.19Å; S262-A275 PolarHBondContact O-N 3.16Å; A275-L282 HydrophobicContact CB-CD2 4.08Å; A275-P310 HydrophobicContact CB-CB 4.44Å; A275-L313 HydrophobicContact CB-CD2 4Å
276	Q	97.8	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	104.1	170.3	-64.8	179.5	-78.8	0	0	108.2	E258 L279 S280 R281 S283	E258-Q276 PolarHBondContact O-NE2 3.3Å; Q276-L279 HydrophobicContact CB-CB 4.24Å; Q276-L279 HydrophobicContact CB-CD1 4.39Å; Q276-S280 PolarHBondContact O-N 2.78Å; Q276-R281 HydrophobicContact CB-CB 4.46Å; Q276-R281 PolarHBondContact N-O 2.88Å; Q276-R281 PolarHBondContact O-N 3.17Å; Q276-R281 VanDerWaalsContact O-N 3.16Å; Q276-S283 PolarHBondContact OE1-OG 3.31Å
277	L	96.6	Very high	96.8	Very high	13 Å²	13	30 Å²	30	7%	0.068	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-63.8	-163.6	-177.6	71.3	0	0	0	113.1	E258 L279 S280 L309 P310 H311 I327	E258-L277 PolarHBondContact OE2-N 3.09Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 PolarHBondContact O-N 3.44Å; L277-S280 PolarHBondContact O-N 3.41Å; L277-S280 VanDerWaalsContact O-N 3.11Å; L277-L309 HydrophobicContact CD1-CB 3.79Å; L277-L309 HydrophobicContact CG-CB 4.39Å; L277-L309 WeakPolarHBondContact O-CA 3.33Å; L277-L309 VanDerWaalsContact O-CD2 3.26Å; L277-L309 WeakPolarHBondContact O-CD2 3.03Å; L277-P310 WeakPolarHBondContact CA-O 3.27Å; L277-P310 VanDerWaalsContact CD1-O 3.31Å; L277-P310 WeakPolarHBondContact CD1-O 3.42Å; L277-H311 HydrophobicContact CD1-CB 3.96Å; L277-I327 HydrophobicContact CD1-CD1 3.92Å; L277-I327 HydrophobicContact CD1-CG1 4.09Å
278	N	96.4	Very high	96.7	Very high	104 Å²	104	27.5 Å²	27.5	56%	0.556	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.8	-174.3	-63.1	-76.7	0	0	0	112.5	E258 S280	E258-N278 VanDerWaalsContact CD-N 3.25Å; E258-N278 WeakPolarHBondContact OE1-CB 3.16Å; E258-N278 PolarHBondContact OE1-N 3.36Å; E258-N278 PolarHBondContact OE1-ND2 2.86Å; E258-N278 WeakPolarHBondContact OE2-CA 3.45Å; E258-N278 PolarHBondContact OE2-N 2.85Å; N278-S280 PolarHBondContact O-N 2.81Å
279	L	96.6	Very high	96.3	Very high	52 Å²	52	28.5 Å²	28.5	27%	0.272	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.6	172.2	-61.6	178.1	0	0	0	113.6	E257 E258 Q276 L277 R281 Q303	E257-L279 HydrophobicContact CB-CD1 3.79Å; E258-L279 HydrophobicContact CB-CD1 3.59Å; E258-L279 HydrophobicContact CB-CG 3.83Å; E258-L279 WeakPolarHBondContact OE2-CG 3.25Å; E258-L279 PolarHBondContact OE2-N 3.32Å; Q276-L279 HydrophobicContact CB-CB 4.24Å; Q276-L279 HydrophobicContact CB-CD1 4.39Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 PolarHBondContact O-N 3.44Å; L279-R281 HydrophobicContact CB-CB 4.06Å; L279-R281 VanDerWaalsContact CD1-NH2 3.25Å; L279-R281 PolarHBondContact O-N 3.32Å; L279-Q303 PolarHBondContact O-NE2 3.22Å
280	S	97.4	Very high	95.8	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	44	-176.5	-59.5	0	0	0	0	112.3	Q276 L277 N278 Q303 L304 A305 Q307 L309	Q276-S280 PolarHBondContact O-N 2.78Å; L277-S280 PolarHBondContact O-N 3.41Å; L277-S280 VanDerWaalsContact O-N 3.11Å; N278-S280 PolarHBondContact O-N 2.81Å; S280-Q303 PolarHBondContact O-NE2 3.03Å; S280-Q303 VanDerWaalsContact O-NE2 3.07Å; S280-L304 WeakPolarHBondContact O-CA 3.28Å; S280-L304 WeakPolarHBondContact O-CB 3.12Å; S280-L304 WeakPolarHBondContact O-CG 3.14Å; S280-L304 PolarHBondContact O-N 3.07Å; S280-A305 WeakPolarHBondContact CB-O 3.39Å; S280-Q307 PolarHBondContact OG-N 2.81Å; S280-L309 PolarHBondContact OG-N 2.83Å
281	R	96.9	Very high	95.4	Very high	43 Å²	43	29.8 Å²	29.8	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	-164.8	-172.7	169.5	73.2	-159.4	4.7	111.8	E257 Q276 L279 T301	E257-R281 IonicContact OE2-CZ 3.01Å; E257-R281 IonicContact OE2-NH1 3.21Å; E257-R281 PolarHBondContact OE2-NH1 2.91Å; E257-R281 IonicContact OE2-NH2 2.73Å; E257-R281 PolarHBondContact OE2-NH2 3.05Å; E257-R281 VanDerWaalsContact OE2-NH2 3.07Å; Q276-R281 HydrophobicContact CB-CB 4.46Å; Q276-R281 PolarHBondContact N-O 2.88Å; Q276-R281 PolarHBondContact O-N 3.17Å; Q276-R281 VanDerWaalsContact O-N 3.16Å; L279-R281 HydrophobicContact CB-CB 4.06Å; L279-R281 VanDerWaalsContact CD1-NH2 3.25Å; L279-R281 PolarHBondContact O-N 3.32Å; R281-T301 HydrophobicContact CG-CG2 3.53Å
282	L	97.9	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128	164.7	-47	170.8	0	0	0	108.4	V274 A275 I302 L304 P310 L313 V324 Y335	V274-L282 CarbonylContact O-C 3.57Å; V274-L282 WeakPolarHBondContact O-CA 3.43Å; A275-L282 HydrophobicContact CB-CD2 4.08Å; L282-I302 HydrophobicContact CB-CB 4.1Å; L282-I302 HydrophobicContact CB-CD1 4.38Å; L282-I302 HydrophobicContact CD1-CB 4.31Å; L282-I302 HydrophobicContact CD1-CD1 4.05Å; L282-I302 PolarHBondContact N-O 3.49Å; L282-I302 PolarHBondContact O-N 2.76Å; L282-L304 HydrophobicContact CD1-CD2 4.47Å; L282-L304 HydrophobicContact CG-CD1 4.49Å; L282-P310 HydrophobicContact CD2-CB 3.73Å; L282-P310 HydrophobicContact CD2-CG 4.07Å; L282-L313 HydrophobicContact CD2-CD2 4.01Å; L282-V324 HydrophobicContact CD1-CG2 3.8Å; L282-V324 HydrophobicContact CD2-CG1 4.17Å; L282-V324 HydrophobicContact CD2-CG2 4.33Å; L282-Y335 HydrophobicContact CD1-CD2 4.46Å; L282-Y335 HydrophobicContact CD1-CE2 4.35Å
283	S	97.3	Very high	94.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.2	176.3	-69.8	0	0	0	0	109.6	V274 Q276	V274-S283 PolarHBondContact N-O 2.79Å; V274-S283 PolarHBondContact O-N 2.86Å; Q276-S283 PolarHBondContact OE1-OG 3.31Å
284	V	97.5	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.6	171.3	-172.6	0	0	0	0	107.9	L45 Y46 Y271 I273 I299 S300	L45-V284 HydrophobicContact CD1-CB 4.31Å; L45-V284 HydrophobicContact CD1-CG1 3.73Å; Y46-V284 HydrophobicContact CD2-CG2 4.12Å; Y46-V284 HydrophobicContact CE2-CG2 4.1Å; Y271-V284 HydrophobicContact CD1-CG1 3.8Å; Y271-V284 HydrophobicContact CD2-CG1 4.42Å; Y271-V284 HydrophobicContact CG-CG1 3.71Å; I273-V284 HydrophobicContact CD1-CB 4.38Å; I273-V284 HydrophobicContact CD1-CG1 3.92Å; I273-V284 HydrophobicContact CD1-CG2 3.98Å; V284-I299 PolarHBondContact O-N 3.09Å; V284-S300 WeakPolarHBondContact CB-O 2.96Å; V284-S300 PolarHBondContact N-O 2.98Å; V284-S300 PolarHBondContact O-N 3.3Å
285	V	97.1	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	-176.7	-178.8	0	0	0	0	109.5	W251 F255 Y271 L272 V274 A287 C296 S297 V298	W251-V285 HydrophobicContact CE3-CG1 4.22Å; W251-V285 HydrophobicContact CH2-CG1 3.77Å; W251-V285 HydrophobicContact CZ3-CB 4.44Å; W251-V285 HydrophobicContact CZ3-CG1 3.43Å; W251-V285 VanDerWaalsContact CZ3-CG1 3.43Å; F255-V285 HydrophobicContact CZ-CG2 4.49Å; Y271-V285 CarbonylContact C-O 3.52Å; Y271-V285 WeakPolarHBondContact CA-O 3.43Å; Y271-V285 WeakPolarHBondContact CB-O 3.43Å; L272-V285 HydrophobicContact CB-CB 4.37Å; L272-V285 PolarHBondContact N-O 2.89Å; L272-V285 PolarHBondContact O-N 3.49Å; V274-V285 HydrophobicContact CG2-CG2 3.9Å; V285-A287 PolarHBondContact O-N 2.99Å; V285-C296 HydrophobicContact CG1-CB 4.45Å; V285-C296 WeakPolarHBondContact CG1-SG 3.39Å; V285-S297 CarbonylContact C-O 3.57Å; V285-S297 WeakPolarHBondContact CA-O 3.24Å; V285-V298 HydrophobicContact CG2-CG2 4.39Å
286	A	96.4	Very high	93.9	Very high	32 Å²	32	41.4 Å²	41.4	26%	0.264	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.7	170.8	0	0	0	0	0	110.4	W251 S297 I299	W251-A286 WeakPolarHBondContact CH2-O 3.41Å; A286-S297 PolarHBondContact N-O 3.09Å; A286-I299 HydrophobicContact CB-CD1 4.04Å; A286-I299 HydrophobicContact CB-CG1 3.78Å
287	A	95.2	Very high	93.8	Very high	21 Å²	21	44.3 Å²	44.3	17%	0.174	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-67.9	139.2	170.8	0	0	0	0	0	109.7	F265 G269 K270 V285	F265-A287 HydrophobicContact CD1-CB 4.06Å; F265-A287 HydrophobicContact CE1-CB 3.73Å; G269-A287 WeakPolarHBondContact O-CB 3.3Å; K270-A287 VanDerWaalsContact C-CB 3.5Å; K270-A287 WeakPolarHBondContact O-CB 3.5Å; K270-A287 PolarHBondContact O-N 2.82Å; V285-A287 PolarHBondContact O-N 2.99Å
288	P	92.8	Very high	93.8	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.104	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-82.7	152	-178.2	31.9	-28.9	0	0	0	111	R226 W228 W251 I293	R226-P288 PolarHBondContact NH2-O 3.47Å; W228-P288 HydrophobicContact CH2-CG 3.57Å; W228-P288 HydrophobicContact CZ2-CG 3.56Å; W251-P288 HydrophobicContact CH2-CG 4.21Å; W251-P288 HydrophobicContact CZ2-CB 4.17Å; W251-P288 HydrophobicContact CZ2-CG 3.77Å; P288-I293 WeakPolarHBondContact CB-O 3.44Å; P288-I293 WeakPolarHBondContact CG-O 3.3Å
289	P	85.8	Confident	93.7	Very high	103 Å²	103	45 Å²	45	67%	0.669	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-60.7	168.7	177.7	29	-36.7	0	0	0	112.2	R226	R226-P289 PolarHBondContact NH1-O 3.13Å; R226-P289 PolarHBondContact NH2-O 2.94Å
290	V	84.1	Confident	93.6	Very high	125 Å²	125	42.6 Å²	42.6	76%	0.758	27%	0.274	S	S	*	.	S	Bend	trans	-57.1	138.7	170.6	-177.7	0	0	0	0	109.8	A224	A224-V290 HydrophobicContact CB-CG1 4.41Å; A224-V290 HydrophobicContact CB-CG2 4.17Å
291	G	85.6	Confident	93.5	Very high	54 Å²	54	44.2 Å²	44.2	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	96.9	-122.6	-171.9	0	0	0	0	0	111.5	R226	R226-G291 PolarHBondContact NH1-O 2.92Å
292	S	87.9	Confident	93.5	Very high	91 Å²	91	43.2 Å²	43.2	64%	0.636	28%	0.282	S	S	*	.			trans	-61.8	138.9	-175.6	-177.1	0	0	0	0	112.7	G294	S292-G294 PolarHBondContact O-N 2.87Å; S292-G294 PolarHBondContact OG-N 3.27Å
293	I	93.6	Very high	93.4	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.082	31%	0.306	C	S	.	.			trans	-72.3	-15.9	174.8	66.4	164.1	0	0	0	113.1	W228 V239 W251 P288	W228-I293 HydrophobicContact CH2-CB 4.03Å; W228-I293 HydrophobicContact CH2-CG2 4.18Å; W228-I293 HydrophobicContact CZ2-CB 4.44Å; W228-I293 HydrophobicContact CZ2-CG2 4.15Å; V239-I293 HydrophobicContact CB-CD1 4.36Å; V239-I293 HydrophobicContact CB-CG2 4.03Å; V239-I293 HydrophobicContact CG1-CG2 3.83Å; V239-I293 HydrophobicContact CG2-CB 4.48Å; V239-I293 HydrophobicContact CG2-CD1 3.88Å; V239-I293 HydrophobicContact CG2-CG2 4.06Å; W251-I293 WeakPolarHBondContact CZ2-O 3.35Å; W251-I293 PolarHBondContact NE1-O 2.81Å; P288-I293 WeakPolarHBondContact CB-O 3.44Å; P288-I293 WeakPolarHBondContact CG-O 3.3Å
294	G	92.2	Very high	93.3	Very high	39 Å²	39	48.9 Å²	48.9	40%	0.402	31%	0.308	S	S	.	.			trans	57.8	-165.8	179.9	0	0	0	0	0	114.9	W251 S292	W251-G294 PolarHBondContact NE1-O 2.88Å; S292-G294 PolarHBondContact O-N 2.87Å; S292-G294 PolarHBondContact OG-N 3.27Å
295	E	92.3	Very high	93.2	Very high	146 Å²	146	52.3 Å²	52.3	68%	0.682	34%	0.336	S	S	*	.			trans	-89.1	143.6	169.9	-68.9	-63.8	143	0	0	110.2
296	C	95.2	Very high	92.9	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.054	37%	0.373	C	S	.	.			trans	-66.1	143.2	175	171.3	0	0	0	0	111.3	W251 N253 C254 V285	W251-C296 HydrophobicContact CB-CB 3.88Å; W251-C296 HydrophobicContact CD2-CB 3.48Å; W251-C296 VanDerWaalsContact CD2-CB 3.48Å; W251-C296 HydrophobicContact CE3-CB 3.7Å; W251-C296 HydrophobicContact CG-CB 3.61Å; W251-C296 HydrophobicContact CZ3-CB 4.33Å; N253-C296 PolarHBondContact ND2-O 3.36Å; N253-C296 VanDerWaalsContact OD1-CB 3.25Å; N253-C296 WeakPolarHBondContact OD1-CB 3.34Å; N253-C296 PolarHBondContact OD1-N 2.91Å; C254-C296 HydrophobicContact CB-CB 3.83Å; C254-C296 WeakPolarHBondContact CB-SG 3.49Å; C254-C296 WeakPolarHBondContact SG-CB 3.49Å; C254-C296 CovalentContact SG-SG 2.02Å; C254-C296 PolarHBondContact SG-SG 2.8Å; V285-C296 HydrophobicContact CG1-CB 4.45Å; V285-C296 WeakPolarHBondContact CG1-SG 3.39Å
297	S	95.3	Very high	92.7	Very high	61 Å²	61	65.2 Å²	65.2	43%	0.427	40%	0.396	S	S	.	.			trans	-137.3	112.8	175.2	-163.5	0	0	0	0	111.1	V285 A286	V285-S297 CarbonylContact C-O 3.57Å; V285-S297 WeakPolarHBondContact CA-O 3.24Å; A286-S297 PolarHBondContact N-O 3.09Å
298	V	95.3	Very high	92.8	Very high	58 Å²	58	65 Å²	65	35%	0.352	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.8	172.4	-172.2	0	0	0	0	109.2	C254 V285	C254-V298 HydrophobicContact CB-CG2 4.22Å; V285-V298 HydrophobicContact CG2-CG2 4.39Å
299	I	95.2	Very high	93	Very high	73 Å²	73	66.3 Å²	66.3	37%	0.374	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-34.4	-175.4	-55.8	-56.8	0	0	0	112.1	L45 Y271 V284 A286	L45-I299 HydrophobicContact CD1-CG2 4.46Å; Y271-I299 HydrophobicContact CE1-CG1 4.46Å; Y271-I299 HydrophobicContact CE1-CG2 4.34Å; V284-I299 PolarHBondContact O-N 3.09Å; A286-I299 HydrophobicContact CB-CD1 4.04Å; A286-I299 HydrophobicContact CB-CG1 3.78Å
300	S	95.1	Very high	93.6	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.014	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.5	176	-177.8	0	0	0	0	109.6	K43 V284	K43-S300 WeakPolarHBondContact O-CB 3.34Å; K43-S300 PolarHBondContact O-OG 3.26Å; V284-S300 WeakPolarHBondContact CB-O 2.96Å; V284-S300 PolarHBondContact N-O 2.98Å; V284-S300 PolarHBondContact O-N 3.3Å
301	T	95.4	Very high	94.3	Very high	37 Å²	37	55.7 Å²	55.7	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.5	172.6	-55.5	0	0	0	0	109.3	R281	R281-T301 HydrophobicContact CG-CG2 3.53Å
302	I	96.1	Very high	94.9	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	104.7	161.1	-47.2	169.2	0	0	0	105.4	Y46 L282 L304 Y335	Y46-I302 HydrophobicContact CD2-CD1 4.16Å; Y46-I302 HydrophobicContact CG-CD1 4.1Å; L282-I302 HydrophobicContact CB-CB 4.1Å; L282-I302 HydrophobicContact CB-CD1 4.38Å; L282-I302 HydrophobicContact CD1-CB 4.31Å; L282-I302 HydrophobicContact CD1-CD1 4.05Å; L282-I302 PolarHBondContact N-O 3.49Å; L282-I302 PolarHBondContact O-N 2.76Å; I302-L304 HydrophobicContact CG2-CD2 3.99Å; I302-Y335 HydrophobicContact CD1-CD1 4.45Å; I302-Y335 HydrophobicContact CG2-CD1 4.22Å; I302-Y335 HydrophobicContact CG2-CE1 4.04Å
303	Q	96.1	Very high	95.4	Very high	108 Å²	108	48.8 Å²	48.8	51%	0.505	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	175.3	-173.3	58.5	50	0	0	108.4	L279 S280	L279-Q303 PolarHBondContact O-NE2 3.22Å; S280-Q303 PolarHBondContact O-NE2 3.03Å; S280-Q303 VanDerWaalsContact O-NE2 3.07Å
304	L	96.1	Very high	95.6	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-87.7	166.6	173.6	-45.7	-175.4	0	0	0	109	S280 L282 I302 V308 P310 Y335	S280-L304 WeakPolarHBondContact O-CA 3.28Å; S280-L304 WeakPolarHBondContact O-CB 3.12Å; S280-L304 WeakPolarHBondContact O-CG 3.14Å; S280-L304 PolarHBondContact O-N 3.07Å; L282-L304 HydrophobicContact CD1-CD2 4.47Å; L282-L304 HydrophobicContact CG-CD1 4.49Å; I302-L304 HydrophobicContact CG2-CD2 3.99Å; L304-V308 HydrophobicContact CB-CB 4.02Å; L304-V308 HydrophobicContact CB-CG1 4.01Å; L304-V308 HydrophobicContact CB-CG2 4.34Å; L304-V308 HydrophobicContact CD1-CB 4.48Å; L304-V308 HydrophobicContact CD1-CG1 3.7Å; L304-V308 HydrophobicContact CG-CG1 4.48Å; L304-P310 HydrophobicContact CD1-CB 3.76Å; L304-P310 HydrophobicContact CD1-CG 3.76Å; L304-Y335 HydrophobicContact CD2-CE1 4.1Å; L304-Y335 WeakPolarHBondContact CD2-OH 3.22Å
305	A	94.5	Very high	95.9	Very high	71 Å²	71	47.2 Å²	47.2	59%	0.587	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-60.9	152.8	172.1	0	0	0	0	0	110.9	S280 Q307 V308	S280-A305 WeakPolarHBondContact CB-O 3.39Å; A305-Q307 PolarHBondContact O-N 2.96Å; A305-V308 HydrophobicContact CB-CG2 3.8Å; A305-V308 VanDerWaalsContact O-CB 3.3Å; A305-V308 WeakPolarHBondContact O-CB 3.32Å; A305-V308 WeakPolarHBondContact O-CG2 3.24Å; A305-V308 PolarHBondContact O-N 2.91Å
306	D	91.3	Very high	96.2	Very high	143 Å²	143	40.3 Å²	40.3	77%	0.765	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	141.4	179.3	-65.9	-29.1	0	0	0	111	V308	D306-V308 PolarHBondContact O-N 2.92Å
307	Q	92.8	Very high	96.2	Very high	160 Å²	160	45 Å²	45	75%	0.748	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	14.3	-179.6	-49.3	-175.3	-26.8	0	0	115.5	S280 A305 L309 G328	S280-Q307 PolarHBondContact OG-N 2.81Å; A305-Q307 PolarHBondContact O-N 2.96Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; Q307-G328 WeakPolarHBondContact O-CA 3.32Å
308	V	96.1	Very high	96.2	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	25%	0.249	C	C	.	.			trans	-65.9	-37.4	169.4	168.3	0	0	0	0	111.4	L304 A305 D306 E326 I327 G328 A329	L304-V308 HydrophobicContact CB-CB 4.02Å; L304-V308 HydrophobicContact CB-CG1 4.01Å; L304-V308 HydrophobicContact CB-CG2 4.34Å; L304-V308 HydrophobicContact CD1-CB 4.48Å; L304-V308 HydrophobicContact CD1-CG1 3.7Å; L304-V308 HydrophobicContact CG-CG1 4.48Å; A305-V308 HydrophobicContact CB-CG2 3.8Å; A305-V308 VanDerWaalsContact O-CB 3.3Å; A305-V308 WeakPolarHBondContact O-CB 3.32Å; A305-V308 WeakPolarHBondContact O-CG2 3.24Å; A305-V308 PolarHBondContact O-N 2.91Å; D306-V308 PolarHBondContact O-N 2.92Å; V308-E326 HydrophobicContact CG1-CB 3.66Å; V308-E326 HydrophobicContact CG1-CG 3.51Å; V308-E326 WeakPolarHBondContact CG1-OE2 3.43Å; V308-E326 CarbonylContact O-C 3.55Å; V308-I327 PolarHBondContact O-N 2.86Å; V308-G328 WeakPolarHBondContact O-CA 3.37Å; V308-G328 PolarHBondContact O-N 3.36Å; V308-A329 HydrophobicContact CG1-CB 4.4Å; V308-A329 PolarHBondContact O-N 3.45Å
309	L	97.7	Very high	96.3	Very high	42 Å²	42	49 Å²	49	22%	0.22	25%	0.252	C	S	.	.			trans	55.1	75.5	175.4	-55	177.4	0	0	0	113.3	L277 S280 Q307 H311 I327	L277-L309 HydrophobicContact CD1-CB 3.79Å; L277-L309 HydrophobicContact CG-CB 4.39Å; L277-L309 WeakPolarHBondContact O-CA 3.33Å; L277-L309 VanDerWaalsContact O-CD2 3.26Å; L277-L309 WeakPolarHBondContact O-CD2 3.03Å; S280-L309 PolarHBondContact OG-N 2.83Å; Q307-L309 VanDerWaalsContact C-N 3.33Å; L309-H311 PolarHBondContact O-N 3.36Å; L309-I327 HydrophobicContact CB-CD1 4.29Å; L309-I327 HydrophobicContact CB-CG1 3.56Å; L309-I327 HydrophobicContact CD1-CD1 4.39Å; L309-I327 HydrophobicContact CD1-CG1 4.2Å; L309-I327 WeakPolarHBondContact O-CG1 3.49Å; L309-I327 PolarHBondContact O-N 3.05Å
310	P	98.1	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.3	175.6	29.9	-32.1	0	0	0	110	S261 A275 L277 L282 L304 V324	S261-P310 PolarHBondContact OG-O 3.42Å; A275-P310 HydrophobicContact CB-CB 4.44Å; L277-P310 WeakPolarHBondContact CA-O 3.27Å; L277-P310 VanDerWaalsContact CD1-O 3.31Å; L277-P310 WeakPolarHBondContact CD1-O 3.42Å; L282-P310 HydrophobicContact CD2-CB 3.73Å; L282-P310 HydrophobicContact CD2-CG 4.07Å; L304-P310 HydrophobicContact CD1-CB 3.76Å; L304-P310 HydrophobicContact CD1-CG 3.76Å; P310-V324 HydrophobicContact CB-CG1 3.55Å
311	H	97.9	Very high	96.5	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-80.6	-167.8	-175	-99.9	0	0	0	112.7	F64 H108 H217 S261 S262 L277 L309 A325 I327	F64-H311 AromaticContact CD1-CE1 3.39Å; F64-H311 WeakPolarHBondContact CD1-CE1 3.49Å; F64-H311 AromaticContact CD1-ND1 3.52Å; F64-H311 AromaticContact CE1-CE1 2.96Å; F64-H311 WeakPolarHBondContact CE1-CE1 3.5Å; F64-H311 AromaticContact CE1-ND1 3.53Å; F64-H311 AromaticContact CE1-NE2 3.43Å; F64-H311 WeakPolarHBondContact CE1-NE2 3.44Å; F64-H311 AromaticContact CZ-CE1 3.57Å; F64-H311 AromaticContact CZ-NE2 3.56Å; F64-H311 PolarHBondContact O-ND1 3.27Å; H108-H311 AromaticContact CE1-CE1 3.64Å; H108-H311 AromaticContact NE2-CE1 3.92Å; H217-H311 AromaticContact CE1-CE1 3.54Å; H217-H311 AromaticContact CE1-NE2 3.2Å; H217-H311 PolarHBondContact CE1-NE2 3.42Å; H217-H311 AromaticContact NE2-NE2 3.41Å; H217-H311 PolarHBondContact NE2-NE2 2.99Å; S261-H311 WeakPolarHBondContact CB-O 2.99Å; S261-H311 PolarHBondContact OG-O 3.48Å; S262-H311 WeakPolarHBondContact CB-O 3.41Å; L277-H311 HydrophobicContact CD1-CB 3.96Å; L309-H311 PolarHBondContact O-N 3.36Å; H311-A325 PolarHBondContact N-O 2.7Å; H311-I327 HydrophobicContact CB-CB 4.5Å; H311-I327 HydrophobicContact CB-CG1 4.36Å; H311-I327 HydrophobicContact CB-CG2 3.51Å
312	L	98.2	Very high	96.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.5	167.9	-65.7	-173.8	0	0	0	110.5	C65 H108 E168 A325	C65-L312 HydrophobicContact CB-CB 4.28Å; C65-L312 HydrophobicContact CB-CD1 3.88Å; H108-L312 VanDerWaalsContact O-CD1 3.25Å; H108-L312 WeakPolarHBondContact O-CD1 3.24Å; E168-L312 HydrophobicContact CG-CD1 4.08Å; L312-A325 PolarHBondContact O-N 2.79Å
313	L	98.6	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.8	176.2	62.8	80.9	0	0	0	111	S262 R264 I273 A275 L282 V315 V322 Y323 V324	S262-L313 PolarHBondContact OG-N 3.5Å; S262-L313 VanDerWaalsContact OG-N 3.07Å; R264-L313 HydrophobicContact CB-CD1 3.7Å; R264-L313 HydrophobicContact CG-CD1 3.71Å; I273-L313 HydrophobicContact CB-CD1 4.25Å; I273-L313 HydrophobicContact CB-CD2 4.49Å; I273-L313 HydrophobicContact CG2-CD1 4.22Å; I273-L313 HydrophobicContact CG2-CD2 3.7Å; A275-L313 HydrophobicContact CB-CD2 4Å; L282-L313 HydrophobicContact CD2-CD2 4.01Å; L313-V315 HydrophobicContact CD1-CG2 4.33Å; L313-V322 HydrophobicContact CB-CG1 4.21Å; L313-V322 HydrophobicContact CD1-CG1 4.22Å; L313-V322 HydrophobicContact CD2-CG1 4.27Å; L313-V322 HydrophobicContact CG-CG1 4.48Å; L313-Y323 CarbonylContact C-O 3.55Å; L313-Y323 WeakPolarHBondContact CA-O 3.35Å; L313-Y323 VanDerWaalsContact CB-O 3.24Å; L313-Y323 WeakPolarHBondContact CB-O 3.4Å; L313-V324 HydrophobicContact CB-CB 4.47Å; L313-V324 HydrophobicContact CB-CG2 4Å
314	E	98.8	Very high	96.9	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.9	170.2	-169	57.3	-91.7	0	0	110.4	V66 V68 R264 Y323	V66-E314 HydrophobicContact CG1-CB 4.48Å; V66-E314 WeakPolarHBondContact O-CB 3.41Å; V68-E314 HydrophobicContact CB-CG 4.26Å; V68-E314 HydrophobicContact CG2-CB 4.17Å; V68-E314 HydrophobicContact CG2-CG 4.06Å; R264-E314 WeakPolarHBondContact CD-OE1 3.18Å; R264-E314 WeakPolarHBondContact CG-OE1 3.43Å; R264-E314 IonicContact CZ-OE2 3.74Å; R264-E314 VanDerWaalsContact CZ-OE2 3.28Å; R264-E314 IonicContact NE-OE1 3.89Å; R264-E314 PolarHBondContact NE-OE1 3.11Å; R264-E314 IonicContact NE-OE2 3.19Å; R264-E314 PolarHBondContact NE-OE2 3.26Å; R264-E314 IonicContact NH2-OE2 3.09Å; R264-E314 PolarHBondContact NH2-OE2 3.42Å; E314-Y323 PolarHBondContact N-O 2.94Å; E314-Y323 PolarHBondContact O-N 3.4Å
315	V	98.6	Very high	97.1	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.4	178.8	-176.4	0	0	0	0	109.4	R264 P267 I273 L313 R317 A321 V322	R264-V315 HydrophobicContact CB-CB 4.38Å; R264-V315 HydrophobicContact CB-CG2 3.65Å; P267-V315 HydrophobicContact CG-CG1 4.36Å; I273-V315 HydrophobicContact CB-CG2 4.48Å; I273-V315 HydrophobicContact CG1-CG2 4.03Å; L313-V315 HydrophobicContact CD1-CG2 4.33Å; V315-R317 PolarHBondContact O-N 2.8Å; V315-R317 VanDerWaalsContact O-N 3.13Å; V315-A321 WeakPolarHBondContact CA-O 3.39Å; V315-V322 HydrophobicContact CG2-CG1 4.44Å; V315-V322 HydrophobicContact CG2-CG2 4.25Å
316	D	98.2	Very high	97.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.165	C	C	.	.			trans	-63.4	113.5	172.8	175.9	4.1	0	0	0	110.2	V68 S70 P267 K318 T319 G320 A321 Y323	V68-D316 HydrophobicContact CG1-CB 4Å; S70-D316 WeakPolarHBondContact CB-OD1 3.48Å; S70-D316 WeakPolarHBondContact OG-CA 3.44Å; S70-D316 PolarHBondContact OG-OD1 2.94Å; P267-D316 VanDerWaalsContact CG-O 3.23Å; P267-D316 WeakPolarHBondContact CG-O 3.39Å; D316-K318 PolarHBondContact O-N 2.82Å; D316-K318 VanDerWaalsContact O-N 3.13Å; D316-K318 WeakPolarHBondContact OD1-CB 3.35Å; D316-K318 PolarHBondContact OD1-N 2.96Å; D316-T319 PolarHBondContact OD1-N 2.94Å; D316-T319 VanDerWaalsContact OD2-CB 3.22Å; D316-T319 WeakPolarHBondContact OD2-CB 3.45Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.39Å; D316-T319 PolarHBondContact OD2-N 3.42Å; D316-T319 PolarHBondContact OD2-OG1 2.92Å; D316-G320 VanDerWaalsContact O-CA 3.25Å; D316-G320 WeakPolarHBondContact O-CA 3.14Å; D316-G320 PolarHBondContact O-N 2.82Å; D316-A321 HydrophobicContact CB-CB 4.35Å; D316-A321 PolarHBondContact N-O 3.07Å; D316-Y323 HydrophobicContact CB-CE2 4.18Å
317	R	95.3	Very high	97.5	Very high	107 Å²	107	28.6 Å²	28.6	40%	0.404	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.8	176.8	-62.3	-172.8	-178.5	-174.5	3.7	113.9	S70 Y170 D173 P267 V315	S70-R317 PolarHBondContact OG-N 2.8Å; Y170-R317 PolarHBondContact OH-NH2 3.27Å; Y170-R317 VanDerWaalsContact OH-NH2 3.13Å; D173-R317 IonicContact OD1-CZ 2.83Å; D173-R317 IonicContact OD1-NH1 3.66Å; D173-R317 PolarHBondContact OD1-NH1 2.81Å; D173-R317 IonicContact OD1-NH2 2.91Å; D173-R317 IonicContact OD2-NH1 2.63Å; P267-R317 VanDerWaalsContact CB-O 3.25Å; P267-R317 WeakPolarHBondContact CB-O 3.1Å; V315-R317 PolarHBondContact O-N 2.8Å; V315-R317 VanDerWaalsContact O-N 3.13Å
318	K	95.3	Very high	97.7	Very high	139 Å²	139	22.9 Å²	22.9	60%	0.604	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-49.8	-177.6	175.8	-174.7	166	-158.1	0	112.6	S70 E92 D316	S70-K318 WeakPolarHBondContact O-CD 3.4Å; E92-K318 IonicContact OE2-NZ 3.71Å; D316-K318 PolarHBondContact O-N 2.82Å; D316-K318 VanDerWaalsContact O-N 3.13Å; D316-K318 WeakPolarHBondContact OD1-CB 3.35Å; D316-K318 PolarHBondContact OD1-N 2.96Å
319	T	96.2	Very high	97.7	Very high	65 Å²	65	23.9 Å²	23.9	40%	0.399	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-17.1	-176.7	72	0	0	0	0	114.3	D316 A321	D316-T319 PolarHBondContact OD1-N 2.94Å; D316-T319 VanDerWaalsContact OD2-CB 3.22Å; D316-T319 WeakPolarHBondContact OD2-CB 3.45Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.39Å; D316-T319 PolarHBondContact OD2-N 3.42Å; D316-T319 PolarHBondContact OD2-OG1 2.92Å; T319-A321 PolarHBondContact O-N 2.72Å; T319-A321 VanDerWaalsContact OG1-CB 3.28Å; T319-A321 WeakPolarHBondContact OG1-CB 3.39Å; T319-A321 PolarHBondContact OG1-N 2.97Å
320	G	97.4	Very high	97.7	Very high	7 Å²	7	27.4 Å²	27.4	7%	0.072	14%	0.144	C	C	.	.			trans	73.7	7.8	-170.1	0	0	0	0	0	114.3	Y46 D316 P337	Y46-G320 WeakPolarHBondContact CE1-O 3.3Å; D316-G320 VanDerWaalsContact O-CA 3.25Å; D316-G320 WeakPolarHBondContact O-CA 3.14Å; D316-G320 PolarHBondContact O-N 2.82Å; G320-P337 WeakPolarHBondContact O-CG 3.35Å
321	A	98.4	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-63.9	138	173.3	0	0	0	0	0	111.3	V315 D316 T319 Y323 K334 Y335 V336	V315-A321 WeakPolarHBondContact CA-O 3.39Å; D316-A321 HydrophobicContact CB-CB 4.35Å; D316-A321 PolarHBondContact N-O 3.07Å; T319-A321 PolarHBondContact O-N 2.72Å; T319-A321 VanDerWaalsContact OG1-CB 3.28Å; T319-A321 WeakPolarHBondContact OG1-CB 3.39Å; T319-A321 PolarHBondContact OG1-N 2.97Å; A321-Y323 HydrophobicContact CB-CE2 4.08Å; A321-K334 HydrophobicContact CB-CG 4.37Å; A321-Y335 CarbonylContact C-O 3.59Å; A321-Y335 WeakPolarHBondContact CA-O 3.2Å; A321-V336 HydrophobicContact CB-CG1 4.25Å
322	V	98.6	Very high	97.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.1	176.7	-170.5	0	0	0	0	108.5	Y46 I273 L313 V315 V324 K334 Y335	Y46-V322 HydrophobicContact CD1-CG2 4.12Å; Y46-V322 HydrophobicContact CE1-CG2 3.57Å; I273-V322 HydrophobicContact CD1-CG2 4.5Å; I273-V322 HydrophobicContact CG1-CG2 4.14Å; I273-V322 HydrophobicContact CG2-CG1 4.1Å; I273-V322 HydrophobicContact CG2-CG2 4.38Å; L313-V322 HydrophobicContact CB-CG1 4.21Å; L313-V322 HydrophobicContact CD1-CG1 4.22Å; L313-V322 HydrophobicContact CD2-CG1 4.27Å; L313-V322 HydrophobicContact CG-CG1 4.48Å; V315-V322 HydrophobicContact CG2-CG1 4.44Å; V315-V322 HydrophobicContact CG2-CG2 4.25Å; V322-V324 HydrophobicContact CG1-CG2 3.83Å; V322-K334 CarbonylContact O-C 3.53Å; V322-K334 WeakPolarHBondContact O-CA 3.25Å; V322-Y335 PolarHBondContact N-O 2.81Å; V322-Y335 PolarHBondContact O-N 3.19Å
323	Y	98.9	Very high	97.7	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.6	170.8	-63.2	-98.7	0	0	0	108.7	W52 V66 V68 V75 L313 E314 D316 A321 Q333 K334	W52-Y323 HydrophobicContact CD2-CD1 4.38Å; W52-Y323 AromaticContact CD2-CE1 3.97Å; W52-Y323 HydrophobicContact CD2-CE1 3.97Å; W52-Y323 AromaticContact CE2-CE1 3.55Å; W52-Y323 HydrophobicContact CE3-CD1 4.27Å; W52-Y323 HydrophobicContact CE3-CE1 4.31Å; W52-Y323 AromaticContact CH2-CD1 3.67Å; W52-Y323 HydrophobicContact CH2-CD1 3.67Å; W52-Y323 AromaticContact CH2-CE1 3.98Å; W52-Y323 HydrophobicContact CH2-CE1 3.98Å; W52-Y323 AromaticContact CZ2-CD1 3.77Å; W52-Y323 HydrophobicContact CZ2-CD1 3.77Å; W52-Y323 AromaticContact CZ2-CE1 3.59Å; W52-Y323 HydrophobicContact CZ2-CE1 3.59Å; W52-Y323 AromaticContact CZ3-CD1 3.92Å; W52-Y323 HydrophobicContact CZ3-CD1 3.92Å; W52-Y323 HydrophobicContact CZ3-CE1 4.32Å; W52-Y323 AromaticContact NE1-CE1 3.87Å; V66-Y323 WeakPolarHBondContact CG1-O 3.37Å; V68-Y323 HydrophobicContact CG1-CE2 4.38Å; V68-Y323 HydrophobicContact CG2-CD2 3.34Å; V68-Y323 HydrophobicContact CG2-CE2 3.71Å; V68-Y323 HydrophobicContact CG2-CG 4.04Å; V75-Y323 HydrophobicContact CG1-CD1 4.01Å; V75-Y323 HydrophobicContact CG1-CE1 4.27Å; V75-Y323 HydrophobicContact CG1-CG 4.4Å; V75-Y323 HydrophobicContact CG2-CD1 4.22Å; V75-Y323 HydrophobicContact CG2-CE1 3.67Å; V75-Y323 HydrophobicContact CG2-CE2 4.32Å; L313-Y323 CarbonylContact C-O 3.55Å; L313-Y323 WeakPolarHBondContact CA-O 3.35Å; L313-Y323 VanDerWaalsContact CB-O 3.24Å; L313-Y323 WeakPolarHBondContact CB-O 3.4Å; E314-Y323 PolarHBondContact N-O 2.94Å; E314-Y323 PolarHBondContact O-N 3.4Å; D316-Y323 HydrophobicContact CB-CE2 4.18Å; A321-Y323 HydrophobicContact CB-CE2 4.08Å; Y323-Q333 CarbonylContact C-O 3.57Å; Y323-Q333 WeakPolarHBondContact CA-O 3.23Å; Y323-K334 HydrophobicContact CD1-CB 3.86Å; Y323-K334 HydrophobicContact CD1-CD 4.45Å; Y323-K334 HydrophobicContact CD1-CG 4.02Å; Y323-K334 HydrophobicContact CE1-CB 3.78Å; Y323-K334 HydrophobicContact CE1-CD 3.56Å; Y323-K334 HydrophobicContact CE1-CG 3.57Å; Y323-K334 HydrophobicContact CE2-CG 4.41Å; Y323-K334 WeakPolarHBondContact OH-CE 3.14Å
324	V	98.8	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.3	-170.7	-175.9	0	0	0	0	109.6	L282 P310 L313 V322 E326 V332 Q333 Y335	L282-V324 HydrophobicContact CD1-CG2 3.8Å; L282-V324 HydrophobicContact CD2-CG1 4.17Å; L282-V324 HydrophobicContact CD2-CG2 4.33Å; P310-V324 HydrophobicContact CB-CG1 3.55Å; L313-V324 HydrophobicContact CB-CB 4.47Å; L313-V324 HydrophobicContact CB-CG2 4Å; V322-V324 HydrophobicContact CG1-CG2 3.83Å; V324-E326 HydrophobicContact CG1-CG 4.13Å; V324-V332 VanDerWaalsContact O-CA 3.24Å; V324-V332 WeakPolarHBondContact O-CA 3.45Å; V324-V332 WeakPolarHBondContact O-CG1 3.49Å; V324-Q333 PolarHBondContact N-O 3.31Å; V324-Q333 PolarHBondContact O-N 3.27Å; V324-Q333 VanDerWaalsContact O-N 3.08Å; V324-Y335 HydrophobicContact CB-CE2 4.15Å; V324-Y335 HydrophobicContact CG2-CD2 3.87Å; V324-Y335 HydrophobicContact CG2-CE2 3.84Å
325	A	98.7	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.2	170.7	0	0	0	0	0	110	V66 H311 L312 V332	V66-A325 HydrophobicContact CG1-CB 4.45Å; H311-A325 PolarHBondContact N-O 2.7Å; L312-A325 PolarHBondContact O-N 2.79Å; A325-V332 HydrophobicContact CB-CG2 4.4Å
326	E	98.1	Very high	97.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	95.7	-174.4	-64.5	177	175.4	0	0	109.1	V308 V324 G328 A329 K330 Q331 Y335	V308-E326 HydrophobicContact CG1-CB 3.66Å; V308-E326 HydrophobicContact CG1-CG 3.51Å; V308-E326 WeakPolarHBondContact CG1-OE2 3.43Å; V308-E326 CarbonylContact O-C 3.55Å; V324-E326 HydrophobicContact CG1-CG 4.13Å; E326-G328 VanDerWaalsContact C-N 3.32Å; E326-G328 PolarHBondContact O-N 2.88Å; E326-A329 HydrophobicContact CB-CB 4.08Å; E326-A329 PolarHBondContact O-N 2.98Å; E326-K330 WeakPolarHBondContact O-CA 3.46Å; E326-K330 PolarHBondContact O-N 3.03Å; E326-Q331 HydrophobicContact CB-CG 4.23Å; E326-Q331 WeakPolarHBondContact CB-O 3.26Å; E326-Q331 PolarHBondContact N-O 3.39Å; E326-Q331 PolarHBondContact O-N 3.01Å; E326-Q331 WeakPolarHBondContact OE2-CG 3.43Å; E326-Q331 PolarHBondContact OE2-NE2 3.39Å; E326-Y335 PolarHBondContact OE1-OH 3.44Å
327	I	97.5	Very high	97.5	Very high	32 Å²	32	34.1 Å²	34.1	16%	0.164	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.1	-167.9	61.4	166.1	0	0	0	113.1	T62 T63 F64 L277 V308 L309 H311	T62-I327 HydrophobicContact CG2-CB 3.8Å; T62-I327 HydrophobicContact CG2-CG2 4.08Å; T62-I327 WeakPolarHBondContact CG2-O 3.47Å; T63-I327 VanDerWaalsContact O-CG2 3.29Å; T63-I327 WeakPolarHBondContact O-CG2 3.32Å; F64-I327 HydrophobicContact CD2-CB 4.48Å; F64-I327 HydrophobicContact CD2-CG2 3.49Å; F64-I327 VanDerWaalsContact CD2-CG2 3.49Å; F64-I327 HydrophobicContact CE2-CD1 4.37Å; F64-I327 HydrophobicContact CE2-CG2 3.83Å; F64-I327 HydrophobicContact CG-CG2 4.15Å; L277-I327 HydrophobicContact CD1-CD1 3.92Å; L277-I327 HydrophobicContact CD1-CG1 4.09Å; V308-I327 PolarHBondContact O-N 2.86Å; L309-I327 HydrophobicContact CB-CD1 4.29Å; L309-I327 HydrophobicContact CB-CG1 3.56Å; L309-I327 HydrophobicContact CD1-CD1 4.39Å; L309-I327 HydrophobicContact CD1-CG1 4.2Å; L309-I327 WeakPolarHBondContact O-CG1 3.49Å; L309-I327 PolarHBondContact O-N 3.05Å; H311-I327 HydrophobicContact CB-CB 4.5Å; H311-I327 HydrophobicContact CB-CG1 4.36Å; H311-I327 HydrophobicContact CB-CG2 3.51Å
328	G	96.1	Very high	97.3	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-38	179	0	0	0	0	0	112	Q307 V308 E326	Q307-G328 WeakPolarHBondContact O-CA 3.32Å; V308-G328 WeakPolarHBondContact O-CA 3.37Å; V308-G328 PolarHBondContact O-N 3.36Å; E326-G328 VanDerWaalsContact C-N 3.32Å; E326-G328 PolarHBondContact O-N 2.88Å
329	A	96.2	Very high	96.2	Very high	39 Å²	39	32 Å²	32	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.1	173.8	0	0	0	0	0	113.9	V308 E326 Q331	V308-A329 HydrophobicContact CG1-CB 4.4Å; V308-A329 PolarHBondContact O-N 3.45Å; E326-A329 HydrophobicContact CB-CB 4.08Å; E326-A329 PolarHBondContact O-N 2.98Å; A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 HydrophobicContact CB-CG 3.9Å; A329-Q331 PolarHBondContact O-N 3.43Å
330	K	97.5	Very high	94.3	Very high	117 Å²	117	31.7 Å²	31.7	51%	0.509	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	40.3	-176.7	-55.5	-175.4	-179.2	179.4	0	113.5	F59 E326	F59-K330 WeakPolarHBondContact CB-O 3.29Å; E326-K330 WeakPolarHBondContact O-CA 3.46Å; E326-K330 PolarHBondContact O-N 3.03Å
331	Q	97.4	Very high	91.6	Very high	54 Å²	54	42.2 Å²	42.2	25%	0.252	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.1	177.5	69.1	-164.5	-9.2	0	0	111.5	F59 T63 E326 A329 Q333	F59-Q331 HydrophobicContact CD2-CB 3.73Å; F59-Q331 HydrophobicContact CE2-CB 3.9Å; T63-Q331 WeakPolarHBondContact OG1-CA 3.41Å; T63-Q331 PolarHBondContact OG1-N 2.99Å; T63-Q331 PolarHBondContact OG1-O 2.96Å; E326-Q331 HydrophobicContact CB-CG 4.23Å; E326-Q331 WeakPolarHBondContact CB-O 3.26Å; E326-Q331 PolarHBondContact N-O 3.39Å; E326-Q331 PolarHBondContact O-N 3.01Å; E326-Q331 WeakPolarHBondContact OE2-CG 3.43Å; E326-Q331 PolarHBondContact OE2-NE2 3.39Å; A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 HydrophobicContact CB-CG 3.9Å; A329-Q331 PolarHBondContact O-N 3.43Å; Q331-Q333 HydrophobicContact CG-CG 4.14Å
332	V	98.6	Very high	88.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.8	159.7	-175.4	0	0	0	0	108.1	W52 F59 T63 V66 I77 V324 A325	W52-V332 HydrophobicContact CH2-CB 4.1Å; W52-V332 HydrophobicContact CH2-CG1 3.79Å; W52-V332 HydrophobicContact CZ3-CB 3.9Å; W52-V332 HydrophobicContact CZ3-CG1 3.68Å; W52-V332 WeakPolarHBondContact CZ3-O 3.37Å; F59-V332 HydrophobicContact CZ-CB 4.05Å; F59-V332 HydrophobicContact CZ-CG2 4.37Å; T63-V332 HydrophobicContact CG2-CG2 4.07Å; V66-V332 HydrophobicContact CB-CG1 4.19Å; V66-V332 HydrophobicContact CG1-CG1 4.41Å; V66-V332 HydrophobicContact CG2-CG1 4Å; I77-V332 HydrophobicContact CB-CG2 4.31Å; I77-V332 HydrophobicContact CD1-CB 3.95Å; I77-V332 HydrophobicContact CD1-CG1 4.41Å; I77-V332 HydrophobicContact CD1-CG2 3.72Å; I77-V332 HydrophobicContact CG1-CB 4.49Å; I77-V332 HydrophobicContact CG1-CG2 3.89Å; I77-V332 HydrophobicContact CG2-CG2 3.5Å; V324-V332 VanDerWaalsContact O-CA 3.24Å; V324-V332 WeakPolarHBondContact O-CA 3.45Å; V324-V332 WeakPolarHBondContact O-CG1 3.49Å; A325-V332 HydrophobicContact CB-CG2 4.4Å
333	Q	98.3	Very high	85.9	Confident	38 Å²	38	52.3 Å²	52.3	18%	0.178	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.2	170.8	-68.1	-162.6	3.5	0	0	111.4	L48 Y323 V324 Q331 Y335	L48-Q333 HydrophobicContact CD1-CB 3.96Å; L48-Q333 HydrophobicContact CD1-CG 4.29Å; Y323-Q333 CarbonylContact C-O 3.57Å; Y323-Q333 WeakPolarHBondContact CA-O 3.23Å; V324-Q333 PolarHBondContact N-O 3.31Å; V324-Q333 PolarHBondContact O-N 3.27Å; V324-Q333 VanDerWaalsContact O-N 3.08Å; Q331-Q333 HydrophobicContact CG-CG 4.14Å; Q333-Y335 HydrophobicContact CB-CE2 3.7Å; Q333-Y335 PolarHBondContact OE1-OH 2.83Å
334	K	98.5	Very high	82.9	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.096	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.7	179.9	177.3	-173.8	175.2	-164.3	0	109.9	L48 D49 W52 E92 A321 V322 Y323 V336	L48-K334 WeakPolarHBondContact CD1-O 3.34Å; D49-K334 HydrophobicContact CB-CB 4.25Å; D49-K334 HydrophobicContact CB-CD 4.13Å; D49-K334 HydrophobicContact CB-CG 4.14Å; D49-K334 WeakPolarHBondContact CB-O 3.16Å; D49-K334 PolarHBondContact N-O 3.12Å; D49-K334 WeakPolarHBondContact OD2-CD 3.35Å; D49-K334 WeakPolarHBondContact OD2-CE 3.47Å; D49-K334 IonicContact OD2-NZ 3.74Å; D49-K334 PolarHBondContact OD2-NZ 2.92Å; W52-K334 HydrophobicContact CB-CB 4.08Å; W52-K334 HydrophobicContact CB-CD 3.78Å; W52-K334 HydrophobicContact CD2-CB 3.83Å; W52-K334 HydrophobicContact CD2-CD 4.06Å; W52-K334 HydrophobicContact CE3-CB 3.64Å; W52-K334 HydrophobicContact CG-CB 4Å; W52-K334 HydrophobicContact CG-CD 3.58Å; W52-K334 HydrophobicContact CG-CG 4.48Å; W52-K334 HydrophobicContact CZ3-CB 4.4Å; E92-K334 PolarHBondContact O-NZ 3.2Å; A321-K334 HydrophobicContact CB-CG 4.37Å; V322-K334 CarbonylContact O-C 3.53Å; V322-K334 WeakPolarHBondContact O-CA 3.25Å; Y323-K334 HydrophobicContact CD1-CB 3.86Å; Y323-K334 HydrophobicContact CD1-CD 4.45Å; Y323-K334 HydrophobicContact CD1-CG 4.02Å; Y323-K334 HydrophobicContact CE1-CB 3.78Å; Y323-K334 HydrophobicContact CE1-CD 3.56Å; Y323-K334 HydrophobicContact CE1-CG 3.57Å; Y323-K334 HydrophobicContact CE2-CG 4.41Å; Y323-K334 WeakPolarHBondContact OH-CE 3.14Å; K334-V336 HydrophobicContact CG-CG1 4.41Å
335	Y	98.3	Very high	80.2	Confident	10 Å²	10	66.3 Å²	66.3	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.4	179.5	-59.8	-97.5	0	0	0	109	R47 L48 L282 I302 L304 A321 V322 V324 E326 Q333	R47-Y335 CarbonylContact O-C 3.6Å; R47-Y335 VanDerWaalsContact O-CA 3.29Å; R47-Y335 WeakPolarHBondContact O-CA 3.36Å; L48-Y335 HydrophobicContact CB-CD1 4.3Å; L48-Y335 HydrophobicContact CB-CE1 4.21Å; L48-Y335 HydrophobicContact CD1-CE1 4.18Å; L282-Y335 HydrophobicContact CD1-CD2 4.46Å; L282-Y335 HydrophobicContact CD1-CE2 4.35Å; I302-Y335 HydrophobicContact CD1-CD1 4.45Å; I302-Y335 HydrophobicContact CG2-CD1 4.22Å; I302-Y335 HydrophobicContact CG2-CE1 4.04Å; L304-Y335 HydrophobicContact CD2-CE1 4.1Å; L304-Y335 WeakPolarHBondContact CD2-OH 3.22Å; A321-Y335 CarbonylContact C-O 3.59Å; A321-Y335 WeakPolarHBondContact CA-O 3.2Å; V322-Y335 PolarHBondContact N-O 2.81Å; V322-Y335 PolarHBondContact O-N 3.19Å; V324-Y335 HydrophobicContact CB-CE2 4.15Å; V324-Y335 HydrophobicContact CG2-CD2 3.87Å; V324-Y335 HydrophobicContact CG2-CE2 3.84Å; E326-Y335 PolarHBondContact OE1-OH 3.44Å; Q333-Y335 HydrophobicContact CB-CE2 3.7Å; Q333-Y335 PolarHBondContact OE1-OH 2.83Å
336	V	97.4	Very high	77.6	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.121	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.4	-176.2	-66	0	0	0	0	111.4	Y46 R47 D49 A321 K334	Y46-V336 VanDerWaalsContact CA-O 3.31Å; Y46-V336 WeakPolarHBondContact CA-O 3.46Å; R47-V336 HydrophobicContact CG-CG2 3.67Å; R47-V336 PolarHBondContact N-O 3.09Å; R47-V336 PolarHBondContact O-N 3.21Å; D49-V336 HydrophobicContact CB-CG1 4.12Å; A321-V336 HydrophobicContact CB-CG1 4.25Å; K334-V336 HydrophobicContact CG-CG1 4.41Å
337	P	95.6	Very high	74.7	Confident	25 Å²	25	79 Å²	79	16%	0.162	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	143.2	175	-22.7	32	0	0	0	112.1	L45 Y46 G320 S340	L45-P337 CarbonylContact O-C 3.53Å; L45-P337 WeakPolarHBondContact O-CA 3.33Å; Y46-P337 HydrophobicContact CD1-CG 4.29Å; Y46-P337 HydrophobicContact CE1-CB 4.28Å; Y46-P337 HydrophobicContact CE1-CG 3.74Å; G320-P337 WeakPolarHBondContact O-CG 3.35Å; P337-S340 PolarHBondContact O-OG 2.85Å; P337-S340 VanDerWaalsContact O-OG 3.11Å
338	L	90.7	Very high	73.5	Confident	76 Å²	76	81.3 Å²	81.3	40%	0.398	48%	0.477	S	S	.	.	S	Bend	trans	-78.2	-21.3	177.5	-79.2	168.1	0	0	0	113.7	S44 L45 R47	S44-L338 WeakPolarHBondContact O-CD1 3.43Å; S44-L338 VanDerWaalsContact OG-CD1 3.3Å; S44-L338 WeakPolarHBondContact OG-CD1 3.19Å; L45-L338 PolarHBondContact O-N 3.15Å; R47-L338 HydrophobicContact CB-CD2 4.03Å; R47-L338 HydrophobicContact CB-CG 4.46Å; R47-L338 HydrophobicContact CG-CD2 3.88Å; R47-L338 HydrophobicContact CG-CG 4.48Å
339	N	72.8	Confident	72.4	Confident	125 Å²	125	83.5 Å²	83.5	67%	0.668	48%	0.481	S	S	*	.	S	Bend	trans	-110.2	9.6	-176.4	-74.9	2.3	0	0	0	113.7	Y341	N339-Y341 PolarHBondContact O-N 3.2Å
340	S	55.8	Low	71	Confident	58 Å²	58	86 Å²	86	41%	0.406	49%	0.49	S	S	.	.			trans	-67.4	118.4	169.7	49	0	0	0	0	108.8	P337 V342	P337-S340 PolarHBondContact O-OG 2.85Å; P337-S340 VanDerWaalsContact O-OG 3.11Å; S340-V342 PolarHBondContact O-N 3.1Å
341	Y	41.2	Very low	69.5	Low	228 Å²	228	84.2 Å²	84.2	89%	0.894	49%	0.489	S	S	*	.			trans	-59.6	103.5	172	-93.2	-100.4	0	0	0	109	N339 P343	N339-Y341 PolarHBondContact O-N 3.2Å; Y341-P343 WeakPolarHBondContact O-CD 3.14Å
342	V	41.7	Very low	67.7	Low	116 Å²	116	86.1 Å²	86.1	70%	0.703	50%	0.504	S	S	*	.			trans	-73.9	117.3	156.7	-178.3	0	0	0	0	105.6	S340 A344	S340-V342 PolarHBondContact O-N 3.1Å; V342-A344 PolarHBondContact O-N 2.82Å; V342-A344 VanDerWaalsContact O-N 3.08Å
343	P	36	Very low	65.7	Low	97 Å²	97	91.8 Å²	91.8	63%	0.63	54%	0.538	S	S	*	.			trans	-61.3	116.7	165	-11.2	26.5	0	0	0	106	Y341 F345	Y341-P343 WeakPolarHBondContact O-CD 3.14Å; P343-F345 PolarHBondContact O-N 2.75Å
344	A	36.4	Very low	63.3	Low	95 Å²	95	95.6 Å²	95.6	79%	0.785	56%	0.563	S	S	*	*			trans	-59.9	108.2	172.3	0	0	0	0	0	107.4	V342 G346	V342-A344 PolarHBondContact O-N 2.82Å; V342-A344 VanDerWaalsContact O-N 3.08Å; A344-G346 PolarHBondContact O-N 2.79Å
345	F	41.3	Very low	60.6	Low	200 Å²	200	101.3 Å²	101.3	88%	0.877	60%	0.599	S	S	*	*			trans	-59.3	128.8	169.1	-83.5	-82.9	0	0	0	107.5	P343	P343-F345 PolarHBondContact O-N 2.75Å
346	G	43.4	Very low	57.5	Low	72 Å²	72	108.9 Å²	108.9	74%	0.742	65%	0.646	S	S	*	*			trans	-61.2	153.3	-168.3	0	0	0	0	0	113.6	A344	A344-G346 PolarHBondContact O-N 2.79Å
347	S	37.8	Very low	53.9	Low	195 Å²	195	117 Å²	117	100%	1.364	69%	0.694	S	S	*	*			trans	-42.9	0	167.8	56.3	0	0	0	0	114.8

Retrieved 347 of 347 residues in 89.9 ms (Link to these results)

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