A0A077ZCJ6_TRITR Loading...

Newborn larvae specific serine protease SS2 1

AlphaFold DB , UniProt , Accession A0A077ZCJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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	47.1	Very low	218 Å²	218	158 Å²	158	100%	1.074	81%	0.812	S	S	*	*				0	70	0	-169.8	171.7	70.6	0	0	108.7	Q3	M1-Q3 PolarHBondContact O-N 3.41Å
2	Y	43.1	Very low	47.7	Very low	235 Å²	235	151.6 Å²	151.6	92%	0.922	80%	0.8	S	S	*	*			trans	-93.3	93.6	176.8	-83.1	-83.3	0	0	0	107.9	R4	Y2-R4 PolarHBondContact O-N 3.24Å
3	Q	41.6	Very low	48.3	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.804	80%	0.802	S	S	*	*			trans	-69.2	114.8	-177.5	-145.2	169.1	-11.6	0	0	108.5	M1 M5	M1-Q3 PolarHBondContact O-N 3.41Å; Q3-M5 VanDerWaalsContact C-N 3.32Å; Q3-M5 PolarHBondContact O-N 2.9Å
4	R	44.7	Very low	48.7	Very low	239 Å²	239	149.9 Å²	149.9	90%	0.902	79%	0.793	S	S	*	*			trans	-61.2	85.6	175.3	-63	173.5	172.2	-173.7	-3.7	109.7	Y2 A6	Y2-R4 PolarHBondContact O-N 3.24Å; R4-A6 PolarHBondContact O-N 2.97Å; R4-A6 VanDerWaalsContact O-N 3.09Å
5	M	47.9	Very low	49.3	Very low	180 Å²	180	146.8 Å²	146.8	89%	0.887	78%	0.782	S	S	*	*			trans	-80.7	79.7	158.5	-85.7	-167.4	167.6	0	0	107.5	Q3 I7	Q3-M5 VanDerWaalsContact C-N 3.32Å; Q3-M5 PolarHBondContact O-N 2.9Å; M5-I7 PolarHBondContact O-N 3.09Å
6	A	46.2	Very low	49.5	Very low	86 Å²	86	144.6 Å²	144.6	71%	0.711	78%	0.776	S	S	*	*			trans	-58.1	103.9	164.6	0	0	0	0	0	107.1	R4 L8	R4-A6 PolarHBondContact O-N 2.97Å; R4-A6 VanDerWaalsContact O-N 3.09Å; A6-L8 PolarHBondContact O-N 2.74Å
7	I	48.8	Very low	49.9	Very low	146 Å²	146	147.6 Å²	147.6	75%	0.749	77%	0.773	S	S	*	*			trans	-59.6	105.5	171.1	-62.3	172.8	0	0	0	105.2	M5 I9	M5-I7 PolarHBondContact O-N 3.09Å; I7-I9 HydrophobicContact CG2-CG1 3.75Å; I7-I9 PolarHBondContact O-N 2.92Å
8	L	48.1	Very low	50.3	Low	165 Å²	165	147.4 Å²	147.4	86%	0.864	77%	0.772	S	S	*	*			trans	-62.1	76.8	165.1	-77.2	159.8	0	0	0	107	A6 A10	A6-L8 PolarHBondContact O-N 2.74Å; L8-A10 PolarHBondContact O-N 2.72Å
9	I	50.7	Low	50.8	Low	140 Å²	140	144.2 Å²	144.2	72%	0.718	76%	0.758	S	S	*	*			trans	-68.6	79.7	152.2	-52.2	-179.6	0	0	0	103.1	I7 A11	I7-I9 HydrophobicContact CG2-CG1 3.75Å; I7-I9 PolarHBondContact O-N 2.92Å; I9-A11 HydrophobicContact CG2-CB 4.4Å; I9-A11 PolarHBondContact O-N 2.81Å
10	A	52.3	Low	51.7	Low	87 Å²	87	138.8 Å²	138.8	72%	0.719	73%	0.729	S	S	*	*			trans	-58.5	81.5	150	0	0	0	0	0	104	L8 A12	L8-A10 PolarHBondContact O-N 2.72Å; A10-A12 PolarHBondContact O-N 2.69Å
11	A	53.8	Low	53.3	Low	70 Å²	70	135.8 Å²	135.8	58%	0.579	72%	0.719	S	S	*	*			trans	-54.9	97.9	157.9	0	0	0	0	0	101.9	I9 M13	I9-A11 HydrophobicContact CG2-CB 4.4Å; I9-A11 PolarHBondContact O-N 2.81Å; A11-M13 PolarHBondContact O-N 2.74Å
12	A	53.6	Low	55.7	Low	81 Å²	81	126.5 Å²	126.5	67%	0.669	68%	0.676	S	S	*	*			trans	-50	100	160.5	0	0	0	0	0	102.3	A10 V14	A10-A12 PolarHBondContact O-N 2.69Å; A12-V14 HydrophobicContact CB-CG2 4.37Å; A12-V14 PolarHBondContact O-N 2.7Å
13	M	55.9	Low	58.1	Low	168 Å²	168	116.8 Å²	116.8	83%	0.828	65%	0.648	S	S	*	*			trans	-61.5	85.5	161.8	-74.5	-174.8	-92.5	0	0	101.6	A11 T15	A11-M13 PolarHBondContact O-N 2.74Å; M13-T15 PolarHBondContact O-N 2.67Å
14	V	54.3	Low	60.5	Low	112 Å²	112	113 Å²	113	68%	0.679	64%	0.636	S	S	*	*			trans	-60.4	92.1	164.9	177.4	0	0	0	0	100.8	A12 V16	A12-V14 HydrophobicContact CB-CG2 4.37Å; A12-V14 PolarHBondContact O-N 2.7Å; V14-V16 HydrophobicContact CG1-CG2 3.98Å; V14-V16 PolarHBondContact O-N 2.72Å
15	T	56.7	Low	62.7	Low	103 Å²	103	102.7 Å²	102.7	63%	0.632	60%	0.6	S	S	*	*			trans	-63.9	91	166.9	57	0	0	0	0	102.3	M13 R17	M13-T15 PolarHBondContact O-N 2.67Å; T15-R17 PolarHBondContact O-N 2.72Å
16	V	53.6	Low	64.8	Low	112 Å²	112	97 Å²	97	68%	0.679	58%	0.581	S	S	*	*			trans	-61.8	89.2	164.3	-180	0	0	0	0	102.5	V14 I18	V14-V16 HydrophobicContact CG1-CG2 3.98Å; V14-V16 PolarHBondContact O-N 2.72Å; V16-I18 PolarHBondContact O-N 2.89Å
17	R	55.8	Low	66.8	Low	195 Å²	195	94.5 Å²	94.5	74%	0.736	56%	0.557	S	S	*	*			trans	-64	103.3	168.1	-69.4	-164.9	-179.9	-161	2.7	102.7	T15 V19	T15-R17 PolarHBondContact O-N 2.72Å; R17-V19 PolarHBondContact O-N 2.75Å
18	I	57.3	Low	68.6	Low	144 Å²	144	98 Å²	98	74%	0.738	56%	0.561	S	S	*	*			trans	-62	91.5	173.7	-59.4	170.3	0	0	0	104.5	V16 Q20	V16-I18 PolarHBondContact O-N 2.89Å; I18-Q20 PolarHBondContact O-N 3.21Å
19	V	59.5	Low	70.2	Confident	86 Å²	86	92.3 Å²	92.3	52%	0.521	53%	0.534	S	S	.	.			trans	-67.1	114	164.3	178.3	0	0	0	0	103.4	R17 S21	R17-V19 PolarHBondContact O-N 2.75Å; V19-S21 PolarHBondContact O-N 2.98Å
20	Q	68.5	Low	71.2	Confident	36 Å²	36	91.5 Å²	91.5	17%	0.168	53%	0.525	C	S	.	.			trans	-70.4	102.4	176.3	-166	155.6	-44.2	0	0	106.9	I18 S153 S157	I18-Q20 PolarHBondContact O-N 3.21Å; Q20-S153 PolarHBondContact NE2-O 3.46Å; Q20-S153 PolarHBondContact OE1-O 3.29Å; Q20-S157 VanDerWaalsContact NE2-CB 3.3Å; Q20-S157 PolarHBondContact NE2-OG 3.22Å; Q20-S157 VanDerWaalsContact NE2-OG 3.17Å
21	S	84.6	Confident	71.8	Confident	76 Å²	76	96.8 Å²	96.8	53%	0.531	53%	0.532	S	S	.	.			trans	-57.8	146.7	176.4	-56	0	0	0	0	110.2	V19	V19-S21 PolarHBondContact O-N 2.98Å
22	C	93.2	Very high	72	Confident	23 Å²	23	97.4 Å²	97.4	16%	0.155	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	153.6	170.4	67.4	0	0	0	0	111.8	V24 E75 P158 C160	C22-V24 PolarHBondContact O-N 3.27Å; C22-E75 HydrophobicContact CB-CG 4.2Å; C22-P158 WeakPolarHBondContact CA-O 3.45Å; C22-P158 HydrophobicContact CB-CG 4.09Å; C22-C160 HydrophobicContact CB-CB 3.99Å; C22-C160 WeakPolarHBondContact CB-SG 3.39Å; C22-C160 PolarHBondContact O-SG 3.37Å; C22-C160 WeakPolarHBondContact SG-CA 2.9Å; C22-C160 WeakPolarHBondContact SG-CB 3.29Å; C22-C160 CovalentContact SG-SG 2.05Å; C22-C160 PolarHBondContact SG-SG 3.37Å
23	G	92.1	Very high	71.8	Confident	32 Å²	32	99 Å²	99	33%	0.33	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	-4.7	171.8	0	0	0	0	0	116	P25 P158	G23-P25 WeakPolarHBondContact O-CD 3.15Å; G23-P158 PolarHBondContact N-O 2.83Å
24	V	92.1	Very high	71.5	Confident	92 Å²	92	97 Å²	97	56%	0.558	52%	0.52	S	S	*	.			trans	-109.9	105	177.7	-174.5	0	0	0	0	110	C22	C22-V24 PolarHBondContact O-N 3.27Å
25	P	92.4	Very high	71.3	Confident	23 Å²	23	101 Å²	101	15%	0.149	53%	0.528	C	S	.	.			trans	-77.7	143.1	177.4	32.7	-35	0	0	0	111.1	G23 V27 S51 P53 W54	G23-P25 WeakPolarHBondContact O-CD 3.15Å; P25-V27 WeakPolarHBondContact CB-O 3.5Å; P25-V27 PolarHBondContact O-N 2.92Å; P25-S51 WeakPolarHBondContact CB-O 3.21Å; P25-P53 HydrophobicContact CB-CG 3.89Å; P25-W54 HydrophobicContact CB-CH2 4.45Å; P25-W54 HydrophobicContact CB-CZ3 4.22Å; P25-W54 HydrophobicContact CG-CH2 4.24Å; P25-W54 HydrophobicContact CG-CZ3 4.38Å
26	A	91.1	Very high	71	Confident	60 Å²	60	104.2 Å²	104.2	50%	0.496	54%	0.536	S	S	.	.	S	Bend	trans	-62.9	-33.2	173	0	0	0	0	0	111.9
27	V	88.7	Confident	70.8	Confident	34 Å²	34	104.2 Å²	104.2	21%	0.206	53%	0.532	C	S	.	.	S	Bend	trans	-103.4	116.1	173.5	-177.3	0	0	0	0	109.2	P25 K48 S51	P25-V27 WeakPolarHBondContact CB-O 3.5Å; P25-V27 PolarHBondContact O-N 2.92Å; V27-K48 HydrophobicContact CG1-CD 3.47Å; V27-K48 VanDerWaalsContact CG1-CD 3.47Å; V27-K48 VanDerWaalsContact CG1-CE 3.42Å; V27-K48 HydrophobicContact CG1-CG 3.85Å; V27-S51 VanDerWaalsContact O-CA 3.26Å; V27-S51 WeakPolarHBondContact O-CA 3.31Å; V27-S51 VanDerWaalsContact O-CB 3.3Å; V27-S51 WeakPolarHBondContact O-CB 3.3Å
28	R	86.5	Confident	70.2	Confident	219 Å²	219	98.8 Å²	98.8	83%	0.826	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.8	132.7	176.3	-66.3	-173.5	-179.4	-176.9	0.5	111
29	P	81.9	Confident	69.4	Low	46 Å²	46	97.6 Å²	97.6	30%	0.299	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.2	171.4	-22.8	31.6	0	0	0	112	K31 L52 L194	P29-K31 PolarHBondContact O-N 2.8Å; P29-L52 HydrophobicContact CG-CD2 4.33Å; P29-L194 HydrophobicContact CB-CD1 4.23Å
30	F	72	Confident	68.5	Low	122 Å²	122	99.2 Å²	99.2	54%	0.535	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-60.9	123.3	169.5	-76.6	-66.4	0	0	0	110	R32 K48	F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 2.96Å; F30-K48 HydrophobicContact CD2-CB 3.67Å; F30-K48 HydrophobicContact CD2-CG 4.42Å; F30-K48 HydrophobicContact CE2-CB 3.69Å; F30-K48 HydrophobicContact CE2-CD 4.15Å; F30-K48 HydrophobicContact CE2-CG 3.97Å; F30-K48 HydrophobicContact CZ-CD 4.27Å
31	K	63.4	Low	67.6	Low	198 Å²	198	103.9 Å²	103.9	86%	0.861	54%	0.537	S	S	*	.			trans	-90	75.1	166.8	-66.8	-172.8	-179.8	-175.4	0	108.7	P29	P29-K31 PolarHBondContact O-N 2.8Å
32	R	59.1	Low	65.9	Low	84 Å²	84	100.7 Å²	100.7	32%	0.317	51%	0.514	S	S	.	.			trans	62.8	153.9	171.9	-73.4	-179.4	168.6	-169	-13.1	118.2	F30	F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 2.96Å
33	P	49.8	Very low	64.2	Low	114 Å²	114	104.3 Å²	104.3	74%	0.74	53%	0.532	S	S	*	.				-95.6	135.8	124.1	-5.9	23.7	0	0	0	109.3	K35	P33-K35 PolarHBondContact O-N 3.09Å; P33-K35 VanDerWaalsContact O-N 3.1Å
34	V	49.1	Very low	63.1	Low	127 Å²	127	104 Å²	104	77%	0.77	53%	0.529	S	S	*	.			trans	-68.9	104	-179.9	-180	0	0	0	0	109.3
35	K	50.1	Low	62.4	Low	194 Å²	194	102.1 Å²	102.1	84%	0.843	51%	0.512	S	S	*	.			trans	-137.2	112.8	153.2	-112.2	-179.2	176.5	-178.6	0	108.3	P33	P33-K35 PolarHBondContact O-N 3.09Å; P33-K35 VanDerWaalsContact O-N 3.1Å
36	E	51.2	Low	62	Low	171 Å²	171	106 Å²	106	80%	0.799	53%	0.528	S	S	*	.			trans	37.9	108.5	158.7	-60.9	-75.6	139.8	0	0	117.5	T38	E36-T38 PolarHBondContact O-N 3.17Å; E36-T38 VanDerWaalsContact O-N 3.11Å
37	L	49.4	Very low	61.8	Low	112 Å²	112	103.2 Å²	103.2	59%	0.586	51%	0.505	S	S	*	.			trans	-63.4	103.9	173.1	-72.7	134.7	0	0	0	110.6	L196	L37-L196 HydrophobicContact CD2-CD2 3.97Å
38	T	42	Very low	61.7	Low	82 Å²	82	105.7 Å²	105.7	50%	0.503	51%	0.513	S	S	.	.			trans	-111.6	130.1	158.2	54.2	0	0	0	0	108.3	E36 R40 N43	E36-T38 PolarHBondContact O-N 3.17Å; E36-T38 VanDerWaalsContact O-N 3.11Å; T38-R40 PolarHBondContact O-N 2.92Å; T38-N43 PolarHBondContact OG1-ND2 3.16Å
39	N	40.2	Very low	61.9	Low	118 Å²	118	98.3 Å²	98.3	63%	0.631	49%	0.493	S	S	*	.			trans	-75.6	50	-174.9	-126.5	13.6	0	0	0	111.3	I198	N39-I198 WeakPolarHBondContact OD1-CG1 3.08Å
40	R	40.1	Very low	62.3	Low	121 Å²	121	99.1 Å²	99.1	46%	0.457	49%	0.493	S	S	.	.	S	Bend	trans	-119.8	143.2	-171	-149	167.4	82.8	155.3	7.3	110.7	T38 V42	T38-R40 PolarHBondContact O-N 2.92Å; R40-V42 HydrophobicContact CG-CB 4.31Å; R40-V42 HydrophobicContact CG-CG2 4.29Å; R40-V42 PolarHBondContact O-N 3.39Å
41	I	51	Low	63.3	Low	134 Å²	134	93.3 Å²	93.3	69%	0.687	47%	0.468	S	S	*	.	S	Bend	trans	-55.1	-12.2	169.4	-61.7	171.6	0	0	0	112.3
42	V	47.9	Very low	64.7	Low	9 Å²	9	84.7 Å²	84.7	6%	0.055	43%	0.431	C	S	.	.	S	Bend	trans	-106.7	131.8	179.7	-171.7	0	0	0	0	108.8	R40 T182 E183	R40-V42 HydrophobicContact CG-CB 4.31Å; R40-V42 HydrophobicContact CG-CG2 4.29Å; R40-V42 PolarHBondContact O-N 3.39Å; V42-T182 VanDerWaalsContact CA-O 3.28Å; V42-T182 WeakPolarHBondContact CA-O 3.31Å; V42-E183 HydrophobicContact CG1-CB 3.95Å; V42-E183 HydrophobicContact CG1-CG 3.82Å
43	N	58.3	Low	66.5	Low	98 Å²	98	80.9 Å²	80.9	52%	0.524	42%	0.417	S	S	.	.			trans	104.3	30.3	-173.4	-52.9	-31.7	0	0	0	116.2	T38	T38-N43 PolarHBondContact OG1-ND2 3.16Å
44	G	68.6	Low	68.7	Low	25 Å²	25	77 Å²	77	26%	0.258	39%	0.388	S	S	.	.			trans	-63.8	162.9	164.4	0	0	0	0	0	112.3	L194	G44-L194 CarbonylContact C-O 3.58Å; G44-L194 WeakPolarHBondContact CA-O 3.32Å
45	W	78.2	Confident	71	Confident	54 Å²	54	71.9 Å²	71.9	21%	0.205	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.3	170.2	63.9	96.1	0	0	0	110.2	A47 F175 C193 L194 L196	W45-A47 PolarHBondContact O-N 2.74Å; W45-F175 AromaticContact CH2-CD1 3.78Å; W45-F175 HydrophobicContact CH2-CD1 3.78Å; W45-F175 AromaticContact CH2-CE1 3.56Å; W45-F175 HydrophobicContact CH2-CE1 3.56Å; W45-F175 HydrophobicContact CZ2-CD1 4.05Å; W45-F175 AromaticContact CZ2-CE1 3.78Å; W45-F175 HydrophobicContact CZ2-CE1 3.78Å; W45-C193 CarbonylContact O-C 3.52Å; W45-C193 WeakPolarHBondContact O-CA 3.46Å; W45-L194 HydrophobicContact CD2-CB 4.26Å; W45-L194 HydrophobicContact CH2-CB 4.4Å; W45-L194 HydrophobicContact CZ2-CB 3.86Å; W45-L194 HydrophobicContact CZ2-CD1 4.3Å; W45-L194 PolarHBondContact N-O 3.48Å; W45-L194 PolarHBondContact O-N 3.18Å; W45-L196 HydrophobicContact CH2-CB 3.94Å; W45-L196 HydrophobicContact CZ3-CB 3.99Å
46	E	83.2	Confident	73.3	Confident	103 Å²	103	62.7 Å²	62.7	48%	0.481	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.1	173.8	-173.6	170.3	-168.9	0	0	110.4	H111 S191	E46-H111 IonicContact OE1-CD2 3.76Å; E46-H111 IonicContact OE1-CE1 3.62Å; E46-H111 IonicContact OE1-NE2 2.76Å; E46-H111 PolarHBondContact OE1-NE2 2.86Å; E46-S191 WeakPolarHBondContact OE1-CB 3.25Å; E46-S191 PolarHBondContact OE1-OG 3.38Å
47	A	86.1	Confident	75.4	Confident	2 Å²	2	55 Å²	55	2%	0.017	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.6	152	175.6	0	0	0	0	0	109.7	W45 L52 H111 L192 L194	W45-A47 PolarHBondContact O-N 2.74Å; A47-L52 HydrophobicContact CB-CD1 4.12Å; A47-H111 PolarHBondContact O-CE1 3.35Å; A47-L192 HydrophobicContact CB-CG 4.25Å; A47-L192 WeakPolarHBondContact CB-O 3.48Å; A47-L192 PolarHBondContact N-O 3.04Å; A47-L194 HydrophobicContact CB-CD1 3.99Å; A47-L194 HydrophobicContact CB-CG 4.05Å
48	K	88.1	Confident	77.7	Confident	86 Å²	86	49.7 Å²	49.7	37%	0.374	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.9	167.1	-174.2	171.8	174.1	-177.1	0	107.9	V27 F30 H50 S51	V27-K48 HydrophobicContact CG1-CD 3.47Å; V27-K48 VanDerWaalsContact CG1-CD 3.47Å; V27-K48 VanDerWaalsContact CG1-CE 3.42Å; V27-K48 HydrophobicContact CG1-CG 3.85Å; F30-K48 HydrophobicContact CD2-CB 3.67Å; F30-K48 HydrophobicContact CD2-CG 4.42Å; F30-K48 HydrophobicContact CE2-CB 3.69Å; F30-K48 HydrophobicContact CE2-CD 4.15Å; F30-K48 HydrophobicContact CE2-CG 3.97Å; F30-K48 HydrophobicContact CZ-CD 4.27Å; K48-H50 PolarHBondContact O-N 3.05Å; K48-S51 PolarHBondContact N-OG 2.87Å; K48-S51 WeakPolarHBondContact O-CB 3.47Å; K48-S51 PolarHBondContact O-N 3.48Å; K48-S51 PolarHBondContact O-OG 3.1Å
49	P	90.1	Very high	80.3	Confident	64 Å²	64	48.7 Å²	48.7	42%	0.416	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	133.7	177.8	-29.6	34.2	0	0	0	111.9	S51 H111	P49-S51 PolarHBondContact O-N 2.05Å; P49-S51 VanDerWaalsContact O-N 3.1Å; P49-H111 HydrophobicContact CB-CB 4.22Å
50	H	90.8	Very high	83	Confident	64 Å²	64	43 Å²	43	30%	0.296	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	14.8	178.7	-46.6	-61.3	0	0	0	115.9	K48 L52 G109 Y155	K48-H50 PolarHBondContact O-N 3.05Å; H50-L52 VanDerWaalsContact C-N 3.32Å; H50-G109 PolarHBondContact CE1-O 2.94Å; H50-G109 VanDerWaalsContact CE1-O 3.25Å; H50-G109 PolarHBondContact ND1-O 2Å; H50-Y155 WeakPolarHBondContact ND1-CB 3.39Å
51	S	91.9	Very high	85.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-80.3	-10.1	176.8	65.5	0	0	0	0	115.1	P25 V27 K48 P49 P53	P25-S51 WeakPolarHBondContact CB-O 3.21Å; V27-S51 VanDerWaalsContact O-CA 3.26Å; V27-S51 WeakPolarHBondContact O-CA 3.31Å; V27-S51 VanDerWaalsContact O-CB 3.3Å; V27-S51 WeakPolarHBondContact O-CB 3.3Å; K48-S51 PolarHBondContact N-OG 2.87Å; K48-S51 WeakPolarHBondContact O-CB 3.47Å; K48-S51 PolarHBondContact O-N 3.48Å; K48-S51 PolarHBondContact O-OG 3.1Å; P49-S51 PolarHBondContact O-N 2.05Å; P49-S51 VanDerWaalsContact O-N 3.1Å; S51-P53 VanDerWaalsContact C-CD 3.41Å; S51-P53 WeakPolarHBondContact O-CD 3.18Å
52	L	94.5	Very high	87.7	Confident	16 Å²	16	36.1 Å²	36.1	8%	0.084	19%	0.185	C	C	.	.	S	Bend	trans	-125	65.8	175.3	-59.3	170.6	0	0	0	109.6	P29 A47 H50 W54 M55 A177 L192 L194	P29-L52 HydrophobicContact CG-CD2 4.33Å; A47-L52 HydrophobicContact CB-CD1 4.12Å; H50-L52 VanDerWaalsContact C-N 3.32Å; L52-W54 HydrophobicContact CD2-CH2 4.39Å; L52-W54 HydrophobicContact CD2-CZ2 3.55Å; L52-W54 PolarHBondContact O-N 3.09Å; L52-W54 VanDerWaalsContact O-N 3.08Å; L52-M55 HydrophobicContact CB-CG 3.74Å; L52-M55 WeakPolarHBondContact O-CB 3.07Å; L52-M55 WeakPolarHBondContact O-CG 3.09Å; L52-M55 PolarHBondContact O-N 3.12Å; L52-M55 VanDerWaalsContact O-N 3.1Å; L52-A177 HydrophobicContact CD1-CB 3.55Å; L52-L192 HydrophobicContact CB-CD2 4Å; L52-L192 HydrophobicContact CD1-CD2 3.89Å; L52-L192 HydrophobicContact CD1-CG 4.27Å; L52-L192 HydrophobicContact CG-CD2 4.5Å; L52-L194 HydrophobicContact CD1-CD1 4.36Å; L52-L194 HydrophobicContact CD1-CD2 3.65Å; L52-L194 HydrophobicContact CD1-CG 3.87Å; L52-L194 HydrophobicContact CD2-CD2 4.3Å
53	P	95.4	Very high	89.7	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.032	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7	-167.8	32.8	-40.5	0	0	0	114.1	P25 S51 Y155 V156 S157	P25-P53 HydrophobicContact CB-CG 3.89Å; S51-P53 VanDerWaalsContact C-CD 3.41Å; S51-P53 WeakPolarHBondContact O-CD 3.18Å; P53-Y155 VanDerWaalsContact CB-C 3.49Å; P53-Y155 WeakPolarHBondContact CB-O 3.14Å; P53-V156 WeakPolarHBondContact O-CA 3.23Å; P53-S157 CarbonylContact C-O 3.48Å; P53-S157 VanDerWaalsContact C-O 3.29Å; P53-S157 WeakPolarHBondContact CG-OG 3.46Å; P53-S157 PolarHBondContact O-N 2.03Å; P53-S157 VanDerWaalsContact O-N 3.09Å
54	W	97.1	Very high	91.3	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.125	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.7	173.6	43.9	82.4	0	0	0	113	P25 L52 F72 L73 S157 L159	P25-W54 HydrophobicContact CB-CH2 4.45Å; P25-W54 HydrophobicContact CB-CZ3 4.22Å; P25-W54 HydrophobicContact CG-CH2 4.24Å; P25-W54 HydrophobicContact CG-CZ3 4.38Å; L52-W54 HydrophobicContact CD2-CH2 4.39Å; L52-W54 HydrophobicContact CD2-CZ2 3.55Å; L52-W54 PolarHBondContact O-N 3.09Å; L52-W54 VanDerWaalsContact O-N 3.08Å; W54-F72 HydrophobicContact CB-CB 4.39Å; W54-F72 CarbonylContact O-C 3.57Å; W54-F72 WeakPolarHBondContact O-CA 3.09Å; W54-L73 PolarHBondContact O-N 2.85Å; W54-S157 WeakPolarHBondContact CA-O 3.37Å; W54-S157 VanDerWaalsContact CB-O 3.29Å; W54-S157 WeakPolarHBondContact CB-O 3.48Å; W54-S157 PolarHBondContact N-O 2.9Å; W54-S157 VanDerWaalsContact N-O 3.1Å; W54-L159 HydrophobicContact CB-CB 4.13Å; W54-L159 HydrophobicContact CD2-CB 4.39Å; W54-L159 HydrophobicContact CD2-CD1 3.71Å; W54-L159 HydrophobicContact CE3-CD1 4.14Å; W54-L159 HydrophobicContact CG-CB 4.11Å; W54-L159 HydrophobicContact CG-CD1 4.06Å; W54-L159 HydrophobicContact CH2-CD1 4.4Å; W54-L159 HydrophobicContact CZ2-CD1 4Å; W54-L159 HydrophobicContact CZ3-CD1 4.47Å
55	M	96.7	Very high	92.5	Very high	19 Å²	19	50 Å²	50	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.4	-174.3	-65.5	-63.6	-64.1	0	0	111.9	L52 A177 W179 L192	L52-M55 HydrophobicContact CB-CG 3.74Å; L52-M55 WeakPolarHBondContact O-CB 3.07Å; L52-M55 WeakPolarHBondContact O-CG 3.09Å; L52-M55 PolarHBondContact O-N 3.12Å; L52-M55 VanDerWaalsContact O-N 3.1Å; M55-A177 HydrophobicContact CE-CB 4.07Å; M55-A177 WeakPolarHBondContact CE-O 3.43Å; M55-A177 HydrophobicContact SD-CB 4.09Å; M55-W179 HydrophobicContact CB-CH2 3.53Å; M55-W179 HydrophobicContact CB-CZ2 4.44Å; M55-W179 HydrophobicContact CB-CZ3 4.04Å; M55-W179 HydrophobicContact CE-CZ3 4.06Å; M55-L192 HydrophobicContact CB-CD2 4.31Å; M55-L192 HydrophobicContact CE-CD1 4.17Å; M55-L192 HydrophobicContact CG-CD1 4.42Å; M55-L192 HydrophobicContact CG-CD2 4.09Å
56	V	97.6	Very high	93.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.5	176.4	-175.7	0	0	0	0	108.9	I58 S70 G71 L73 L85 L106 L108	V56-I58 HydrophobicContact CG1-CG1 4.35Å; V56-S70 CarbonylContact O-C 3.53Å; V56-S70 VanDerWaalsContact O-CA 3.31Å; V56-S70 WeakPolarHBondContact O-CA 3.29Å; V56-G71 PolarHBondContact N-O 2.66Å; V56-G71 PolarHBondContact O-N 3.17Å; V56-L73 HydrophobicContact CG2-CD2 4.08Å; V56-L73 HydrophobicContact CG2-CG 3.9Å; V56-L85 HydrophobicContact CB-CD2 4.33Å; V56-L85 HydrophobicContact CG1-CD2 3.93Å; V56-L85 HydrophobicContact CG2-CD2 4.26Å; V56-L106 HydrophobicContact CG1-CB 4.09Å; V56-L106 HydrophobicContact CG1-CD2 4.21Å; V56-L108 HydrophobicContact CG1-CG 4.11Å; V56-L108 HydrophobicContact CG2-CD2 3.97Å; V56-L108 HydrophobicContact CG2-CG 4Å
57	S	96.4	Very high	93.6	Very high	11 Å²	11	51.6 Å²	51.6	8%	0.077	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.7	167.7	177.5	0	0	0	0	109.2	L106 V107	S57-L106 CarbonylContact O-C 3.41Å; S57-L106 WeakPolarHBondContact O-CA 3.34Å; S57-V107 PolarHBondContact N-O 3.29Å; S57-V107 PolarHBondContact O-N 2.94Å
58	I	97.3	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.1	-176.2	-54.8	179.4	0	0	0	107.9	V56 V60 T68 C69 L85 T87 I104 F105 L106	V56-I58 HydrophobicContact CG1-CG1 4.35Å; I58-V60 HydrophobicContact CG2-CG2 3.89Å; I58-T68 CarbonylContact O-C 3.49Å; I58-T68 WeakPolarHBondContact O-CA 3.41Å; I58-C69 HydrophobicContact CB-CB 4.09Å; I58-C69 PolarHBondContact N-O 3.2Å; I58-C69 PolarHBondContact O-N 3.24Å; I58-L85 HydrophobicContact CD1-CD1 4.06Å; I58-T87 HydrophobicContact CD1-CG2 4Å; I58-T87 WeakPolarHBondContact CD1-OG1 3.41Å; I58-I104 HydrophobicContact CG2-CG2 3.99Å; I58-F105 WeakPolarHBondContact CA-O 3.08Å; I58-L106 HydrophobicContact CB-CD2 4.31Å; I58-L106 HydrophobicContact CD1-CD2 4.42Å; I58-L106 HydrophobicContact CG1-CD2 3.79Å; I58-L106 HydrophobicContact CG2-CD2 4.09Å
59	L	96.3	Very high	94.3	Very high	60 Å²	60	51.9 Å²	51.9	31%	0.314	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.7	172.5	-175.3	155	0	0	0	108.9	T61 F66 F105	L59-T61 HydrophobicContact CD2-CG2 3.56Å; L59-F66 HydrophobicContact CD1-CD2 4.36Å; L59-F66 HydrophobicContact CD2-CB 4.22Å; L59-F66 HydrophobicContact CG-CB 4.34Å; L59-F66 HydrophobicContact CG-CD2 4.47Å; L59-F105 HydrophobicContact CB-CB 4.36Å; L59-F105 HydrophobicContact CD2-CD2 3.98Å; L59-F105 PolarHBondContact N-O 3.17Å; L59-F105 PolarHBondContact O-N 3.35Å
60	V	97.2	Very high	94.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.3	178.7	-171.4	0	0	0	0	109.4	I58 F66 L67 L92 I94 Q99 K103 I104	I58-V60 HydrophobicContact CG2-CG2 3.89Å; V60-F66 CarbonylContact O-C 3.55Å; V60-F66 VanDerWaalsContact O-CA 3.25Å; V60-F66 WeakPolarHBondContact O-CA 3.07Å; V60-L67 PolarHBondContact N-O 3.32Å; V60-L67 PolarHBondContact O-N 3.43Å; V60-L92 HydrophobicContact CG2-CD2 4.25Å; V60-I94 HydrophobicContact CB-CD1 3.98Å; V60-I94 HydrophobicContact CG1-CD1 3.74Å; V60-Q99 HydrophobicContact CG1-CB 3.84Å; V60-Q99 HydrophobicContact CG1-CG 3.74Å; V60-K103 WeakPolarHBondContact CA-O 3.31Å; V60-I104 HydrophobicContact CG1-CG1 4.28Å; V60-I104 HydrophobicContact CG2-CG1 4.28Å
61	T	96.2	Very high	94.9	Very high	47 Å²	47	47.8 Å²	47.8	29%	0.288	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.3	176.7	62.7	0	0	0	0	111.3	L59 K103 F105	L59-T61 HydrophobicContact CD2-CG2 3.56Å; T61-K103 PolarHBondContact N-O 3Å; T61-K103 WeakPolarHBondContact O-CB 3.3Å; T61-K103 VanDerWaalsContact O-CD 3.23Å; T61-K103 WeakPolarHBondContact O-CD 3.42Å; T61-K103 WeakPolarHBondContact OG1-CB 3.21Å; T61-K103 PolarHBondContact OG1-O 2.85Å; T61-F105 HydrophobicContact CG2-CD2 4.27Å; T61-F105 HydrophobicContact CG2-CE2 3.93Å
62	Y	93.4	Very high	95.2	Very high	62 Å²	62	51 Å²	51	24%	0.243	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	114.2	175.6	67	-80.9	0	0	0	110.6	Q64 K65 F66 L67 I94	Y62-Q64 PolarHBondContact O-N 2.75Å; Y62-K65 HydrophobicContact CD1-CB 4.3Å; Y62-K65 HydrophobicContact CD2-CB 4.15Å; Y62-K65 HydrophobicContact CE1-CB 3.77Å; Y62-K65 HydrophobicContact CE2-CB 3.59Å; Y62-K65 HydrophobicContact CE2-CD 3.82Å; Y62-K65 HydrophobicContact CE2-CG 4.27Å; Y62-K65 HydrophobicContact CG-CB 4.47Å; Y62-K65 PolarHBondContact N-O 2.83Å; Y62-K65 PolarHBondContact O-N 3.19Å; Y62-F66 VanDerWaalsContact CE1-C 3.5Å; Y62-L67 HydrophobicContact CE1-CB 4.15Å; Y62-I94 HydrophobicContact CD1-CD1 3.62Å; Y62-I94 HydrophobicContact CD1-CG2 3.88Å; Y62-I94 HydrophobicContact CD2-CG2 3.76Å; Y62-I94 HydrophobicContact CE1-CD1 4.07Å; Y62-I94 HydrophobicContact CE1-CG2 3.93Å; Y62-I94 HydrophobicContact CE2-CG2 3.81Å; Y62-I94 HydrophobicContact CG-CB 4.47Å; Y62-I94 HydrophobicContact CG-CD1 4.24Å; Y62-I94 HydrophobicContact CG-CG2 3.81Å
63	G	91.2	Very high	95.3	Very high	79 Å²	79	50.2 Å²	50.2	81%	0.814	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-126.7	-170.8	0	0	0	0	0	110.7
64	Q	91.6	Very high	95.4	Very high	207 Å²	207	50.5 Å²	50.5	97%	0.967	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	7.8	173.2	-63.9	-178.3	-3.2	0	0	113.3	Y62	Y62-Q64 PolarHBondContact O-N 2.75Å
65	K	92.4	Very high	95.3	Very high	137 Å²	137	53.1 Å²	53.1	60%	0.596	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	165.4	-177.1	-62.2	-177.4	-179.8	-176.8	0	110.5	Y62	Y62-K65 HydrophobicContact CD1-CB 4.3Å; Y62-K65 HydrophobicContact CD2-CB 4.15Å; Y62-K65 HydrophobicContact CE1-CB 3.77Å; Y62-K65 HydrophobicContact CE2-CB 3.59Å; Y62-K65 HydrophobicContact CE2-CD 3.82Å; Y62-K65 HydrophobicContact CE2-CG 4.27Å; Y62-K65 HydrophobicContact CG-CB 4.47Å; Y62-K65 PolarHBondContact N-O 2.83Å; Y62-K65 PolarHBondContact O-N 3.19Å
66	F	92.4	Very high	95.2	Very high	132 Å²	132	54.6 Å²	54.6	58%	0.579	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.9	171.3	64.9	-87.9	0	0	0	110.5	L59 V60 Y62 T68	L59-F66 HydrophobicContact CD1-CD2 4.36Å; L59-F66 HydrophobicContact CD2-CB 4.22Å; L59-F66 HydrophobicContact CG-CB 4.34Å; L59-F66 HydrophobicContact CG-CD2 4.47Å; V60-F66 CarbonylContact O-C 3.55Å; V60-F66 VanDerWaalsContact O-CA 3.25Å; V60-F66 WeakPolarHBondContact O-CA 3.07Å; Y62-F66 VanDerWaalsContact CE1-C 3.5Å; F66-T68 HydrophobicContact CD2-CG2 4.07Å; F66-T68 HydrophobicContact CE2-CG2 4.08Å
67	L	92.9	Very high	94.9	Very high	59 Å²	59	58.5 Å²	58.5	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.6	170.9	178.5	70.1	0	0	0	107.8	V60 Y62 I94	V60-L67 PolarHBondContact N-O 3.32Å; V60-L67 PolarHBondContact O-N 3.43Å; Y62-L67 HydrophobicContact CE1-CB 4.15Å; L67-I94 HydrophobicContact CB-CD1 3.77Å; L67-I94 HydrophobicContact CD2-CD1 3.78Å; L67-I94 HydrophobicContact CD2-CG1 4Å; L67-I94 HydrophobicContact CG-CD1 4.44Å
68	T	93.3	Very high	94.8	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.454	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.6	172.7	51.6	0	0	0	0	110	I58 F66	I58-T68 CarbonylContact O-C 3.49Å; I58-T68 WeakPolarHBondContact O-CA 3.41Å; F66-T68 HydrophobicContact CD2-CG2 4.07Å; F66-T68 HydrophobicContact CE2-CG2 4.08Å
69	C	95.5	Very high	94.5	Very high	20 Å²	20	69 Å²	69	14%	0.135	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	172.3	175.6	-86.4	0	0	0	0	109.9	I58 C91	I58-C69 HydrophobicContact CB-CB 4.09Å; I58-C69 PolarHBondContact N-O 3.2Å; I58-C69 PolarHBondContact O-N 3.24Å; C69-C91 HydrophobicContact CB-CB 3.69Å; C69-C91 WeakPolarHBondContact CB-SG 3.44Å; C69-C91 VanDerWaalsContact SG-CA 3.59Å; C69-C91 WeakPolarHBondContact SG-CB 3.32Å; C69-C91 CovalentContact SG-SG 2.03Å; C69-C91 PolarHBondContact SG-SG 3.04Å
70	S	95.8	Very high	94.4	Very high	38 Å²	38	69 Å²	69	27%	0.266	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	157.9	168.8	-59.8	0	0	0	0	110.4	V56 T87	V56-S70 CarbonylContact O-C 3.53Å; V56-S70 VanDerWaalsContact O-CA 3.31Å; V56-S70 WeakPolarHBondContact O-CA 3.29Å; S70-T87 PolarHBondContact O-OG1 3.1Å
71	G	97.5	Very high	94.4	Very high	4 Å²	4	71.3 Å²	71.3	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-177.3	168.9	0	0	0	0	0	110.2	V56 L86	V56-G71 PolarHBondContact N-O 2.66Å; V56-G71 PolarHBondContact O-N 3.17Å; G71-L86 CarbonylContact C-O 3.54Å; G71-L86 WeakPolarHBondContact CA-O 3.47Å
72	F	97.6	Very high	94.5	Very high	68 Å²	68	69 Å²	69	30%	0.298	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140.5	178.7	53.9	-87.7	0	0	0	112.6	W54 I74 L85 L86 L159	W54-F72 HydrophobicContact CB-CB 4.39Å; W54-F72 CarbonylContact O-C 3.57Å; W54-F72 WeakPolarHBondContact O-CA 3.09Å; F72-I74 HydrophobicContact CD2-CG2 4.01Å; F72-I74 HydrophobicContact CE2-CG2 4.06Å; F72-L85 CarbonylContact O-C 3.52Å; F72-L85 WeakPolarHBondContact O-CA 3.05Å; F72-L85 WeakPolarHBondContact O-CB 3.35Å; F72-L86 HydrophobicContact CD2-CB 4.26Å; F72-L86 HydrophobicContact CE1-CB 4.11Å; F72-L86 HydrophobicContact CE2-CB 3.72Å; F72-L86 HydrophobicContact CE2-CD1 3.75Å; F72-L86 HydrophobicContact CE2-CG 4.15Å; F72-L86 HydrophobicContact CZ-CB 3.62Å; F72-L86 HydrophobicContact CZ-CD1 3.98Å; F72-L86 HydrophobicContact CZ-CG 4.38Å; F72-L86 PolarHBondContact N-O 3.01Å; F72-L86 PolarHBondContact O-N 2.99Å; F72-L159 HydrophobicContact CD2-CB 4.39Å; F72-L159 HydrophobicContact CD2-CD2 4.11Å; F72-L159 HydrophobicContact CE2-CD2 4.27Å
73	L	98.4	Very high	94.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.9	175.9	-67.2	175	0	0	0	111.4	W54 V56 T82 L85 L108 M146 V150 V156 P158 L159	W54-L73 PolarHBondContact O-N 2.85Å; V56-L73 HydrophobicContact CG2-CD2 4.08Å; V56-L73 HydrophobicContact CG2-CG 3.9Å; L73-T82 HydrophobicContact CB-CG2 4.26Å; L73-T82 HydrophobicContact CD1-CG2 4.42Å; L73-T82 HydrophobicContact CD2-CG2 3.77Å; L73-T82 HydrophobicContact CG-CG2 4.38Å; L73-L85 HydrophobicContact CD2-CB 4.27Å; L73-L108 HydrophobicContact CD1-CD2 3.79Å; L73-L108 HydrophobicContact CD2-CD2 3.62Å; L73-L108 HydrophobicContact CG-CD2 4.01Å; L73-M146 HydrophobicContact CD2-CE 3.95Å; L73-V150 HydrophobicContact CD1-CG1 4Å; L73-V150 HydrophobicContact CD2-CG1 4.23Å; L73-V156 HydrophobicContact CD1-CG1 3.42Å; L73-V156 VanDerWaalsContact CD1-CG1 3.42Å; L73-P158 HydrophobicContact CB-CB 4.35Å; L73-L159 PolarHBondContact O-N 3.11Å
74	I	97.4	Very high	95	Very high	10 Å²	10	64 Å²	64	5%	0.051	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-126.8	160.6	171.4	64.3	168.6	0	0	0	109.8	F72 T82 I84 L86 L161	F72-I74 HydrophobicContact CD2-CG2 4.01Å; F72-I74 HydrophobicContact CE2-CG2 4.06Å; I74-T82 VanDerWaalsContact O-CB 3.25Å; I74-T82 WeakPolarHBondContact O-CB 3.42Å; I74-T82 WeakPolarHBondContact O-CG2 3.26Å; I74-T82 PolarHBondContact O-OG1 2.96Å; I74-I84 HydrophobicContact CD1-CG2 3.74Å; I74-I84 HydrophobicContact CG1-CB 4.12Å; I74-I84 HydrophobicContact CG1-CG2 3.76Å; I74-I84 PolarHBondContact N-O 3.49Å; I74-L86 HydrophobicContact CD1-CD1 4.25Å; I74-L86 HydrophobicContact CD1-CD2 4.16Å; I74-L86 HydrophobicContact CD1-CG 3.99Å; I74-L86 HydrophobicContact CG2-CD1 3.93Å; I74-L86 HydrophobicContact CG2-CG 3.99Å; I74-L161 HydrophobicContact CD1-CD1 4.28Å; I74-L161 HydrophobicContact CG2-CD2 3.9Å; I74-L161 HydrophobicContact CG2-CG 4.31Å
75	E	95.1	Very high	95.4	Very high	89 Å²	89	54.1 Å²	54.1	42%	0.416	29%	0.287	S	S	.	.			trans	-74.4	148.9	169.6	-67.1	-178.3	148.2	0	0	111.1	C22 P158	C22-E75 HydrophobicContact CB-CG 4.2Å; E75-P158 HydrophobicContact CG-CB 3.82Å; E75-P158 HydrophobicContact CG-CG 3.38Å
76	N	93.4	Very high	95.6	Very high	50 Å²	50	48.7 Å²	48.7	27%	0.267	26%	0.264	S	S	.	.			trans	-133.8	21.2	178.2	69.6	-12.8	0	0	0	112	M78 D83 I84	N76-M78 VanDerWaalsContact C-N 3.32Å; N76-M78 PolarHBondContact ND2-SD 3.46Å; N76-M78 VanDerWaalsContact ND2-SD 3.35Å; N76-M78 PolarHBondContact O-N 2.86Å; N76-M78 VanDerWaalsContact OD1-CB 3.3Å; N76-M78 WeakPolarHBondContact OD1-CB 3.44Å; N76-M78 WeakPolarHBondContact OD1-CG 3.18Å; N76-M78 PolarHBondContact OD1-N 2.9Å; N76-D83 PolarHBondContact ND2-OD1 2.88Å; N76-I84 HydrophobicContact CB-CB 4.45Å; N76-I84 HydrophobicContact CB-CD1 3.64Å; N76-I84 HydrophobicContact CB-CG1 3.96Å
77	G	91.2	Very high	95.9	Very high	81 Å²	81	42.9 Å²	42.9	84%	0.835	24%	0.24	S	C	*	.	S	Bend	trans	82.8	-4.4	-177.7	0	0	0	0	0	115.6
78	M	94	Very high	96	Very high	69 Å²	69	41 Å²	41	34%	0.34	23%	0.232	S	C	.	.			trans	-72.3	147.3	173	-64.4	178.3	79.5	0	0	111.5	N76 N80 E81 P149	N76-M78 VanDerWaalsContact C-N 3.32Å; N76-M78 PolarHBondContact ND2-SD 3.46Å; N76-M78 VanDerWaalsContact ND2-SD 3.35Å; N76-M78 PolarHBondContact O-N 2.86Å; N76-M78 VanDerWaalsContact OD1-CB 3.3Å; N76-M78 WeakPolarHBondContact OD1-CB 3.44Å; N76-M78 WeakPolarHBondContact OD1-CG 3.18Å; N76-M78 PolarHBondContact OD1-N 2.9Å; M78-N80 PolarHBondContact O-N 3.1Å; M78-E81 HydrophobicContact CB-CG 4.03Å; M78-E81 VanDerWaalsContact CB-O 3.31Å; M78-E81 WeakPolarHBondContact CB-O 3.24Å; M78-E81 HydrophobicContact CE-CG 3.87Å; M78-E81 WeakPolarHBondContact CE-OE1 3.37Å; M78-P149 HydrophobicContact CE-CB 4.17Å; M78-P149 HydrophobicContact CE-CG 4.27Å
79	K	92.6	Very high	96.2	Very high	163 Å²	163	37.5 Å²	37.5	71%	0.709	21%	0.211	S	C	*	.	S	Bend	trans	-82.4	111.8	-177.7	-174.5	176.1	-176	171	0	111.4	E81	K79-E81 PolarHBondContact O-N 3.25Å
80	N	94.2	Very high	96.1	Very high	61 Å²	61	40.1 Å²	40.1	33%	0.326	22%	0.221	S	C	.	.	S	Bend	trans	60.1	25.8	175.2	-161.5	69.3	0	0	0	114.2	M78 K151 F152	M78-N80 PolarHBondContact O-N 3.1Å; N80-K151 WeakPolarHBondContact O-CA 3.43Å; N80-F152 PolarHBondContact O-N 3.08Å
81	E	96.4	Very high	96.1	Very high	47 Å²	47	38.5 Å²	38.5	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	163.3	173.3	60.6	-173.2	-161.8	0	0	109.9	M78 K79 P149 V150 K151 F152	M78-E81 HydrophobicContact CB-CG 4.03Å; M78-E81 VanDerWaalsContact CB-O 3.31Å; M78-E81 WeakPolarHBondContact CB-O 3.24Å; M78-E81 HydrophobicContact CE-CG 3.87Å; M78-E81 WeakPolarHBondContact CE-OE1 3.37Å; K79-E81 PolarHBondContact O-N 3.25Å; E81-P149 HydrophobicContact CB-CB 4.33Å; E81-P149 HydrophobicContact CG-CB 4.3Å; E81-V150 CarbonylContact C-O 3.59Å; E81-V150 WeakPolarHBondContact CA-O 3.49Å; E81-V150 WeakPolarHBondContact CB-O 3.38Å; E81-K151 HydrophobicContact CB-CG 4.3Å; E81-F152 VanDerWaalsContact C-CZ 3.44Å; E81-F152 WeakPolarHBondContact O-CZ 3.45Å
82	T	97.6	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.9	170.7	-172.1	0	0	0	0	109.9	L73 I74 I84 M146 P149 V150 F152	L73-T82 HydrophobicContact CB-CG2 4.26Å; L73-T82 HydrophobicContact CD1-CG2 4.42Å; L73-T82 HydrophobicContact CD2-CG2 3.77Å; L73-T82 HydrophobicContact CG-CG2 4.38Å; I74-T82 VanDerWaalsContact O-CB 3.25Å; I74-T82 WeakPolarHBondContact O-CB 3.42Å; I74-T82 WeakPolarHBondContact O-CG2 3.26Å; I74-T82 PolarHBondContact O-OG1 2.96Å; T82-I84 PolarHBondContact OG1-N 3.13Å; T82-I84 VanDerWaalsContact OG1-N 3.17Å; T82-M146 WeakPolarHBondContact O-CE 3.3Å; T82-P149 CarbonylContact O-C 3.55Å; T82-P149 VanDerWaalsContact O-CA 3.25Å; T82-P149 WeakPolarHBondContact O-CA 2.85Å; T82-V150 HydrophobicContact CG2-CG1 4.11Å; T82-V150 PolarHBondContact N-O 3.28Å; T82-V150 PolarHBondContact O-N 3.28Å; T82-F152 HydrophobicContact CG2-CE1 3.7Å; T82-F152 HydrophobicContact CG2-CZ 4.18Å
83	D	98.1	Very high	96	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	10.9	168.3	71.2	-2.9	0	0	0	112.8	N76 R145 M146 P149	N76-D83 PolarHBondContact ND2-OD1 2.88Å; D83-R145 HydrophobicContact CB-CG 4.48Å; D83-R145 CarbonylContact O-C 3.54Å; D83-R145 VanDerWaalsContact O-CA 3.31Å; D83-R145 WeakPolarHBondContact O-CA 3.33Å; D83-R145 IonicContact OD1-NE 3.79Å; D83-R145 IonicContact OD2-CZ 3.23Å; D83-R145 VanDerWaalsContact OD2-CZ 3.23Å; D83-R145 IonicContact OD2-NE 2.75Å; D83-R145 PolarHBondContact OD2-NE 2.93Å; D83-R145 IonicContact OD2-NH2 2.83Å; D83-R145 PolarHBondContact OD2-NH2 2.79Å; D83-M146 PolarHBondContact O-N 2.99Å; D83-P149 HydrophobicContact CB-CB 4.13Å
84	I	98.4	Very high	95.7	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.7	-173.7	-54.7	-169.9	0	0	0	112.1	I74 N76 T82 M143 V144	I74-I84 HydrophobicContact CD1-CG2 3.74Å; I74-I84 HydrophobicContact CG1-CB 4.12Å; I74-I84 HydrophobicContact CG1-CG2 3.76Å; I74-I84 PolarHBondContact N-O 3.49Å; N76-I84 HydrophobicContact CB-CB 4.45Å; N76-I84 HydrophobicContact CB-CD1 3.64Å; N76-I84 HydrophobicContact CB-CG1 3.96Å; T82-I84 PolarHBondContact OG1-N 3.13Å; T82-I84 VanDerWaalsContact OG1-N 3.17Å; I84-M143 HydrophobicContact CD1-SD 4.14Å; I84-M143 HydrophobicContact CG2-CG 3.33Å; I84-M143 HydrophobicContact CG2-SD 3.58Å; I84-M143 VanDerWaalsContact CG2-SD 3.58Å; I84-V144 WeakPolarHBondContact CA-O 3.25Å
85	L	98.6	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.8	166.1	68	88.8	0	0	0	111.1	V56 I58 F72 L73 T87 L106 V144	V56-L85 HydrophobicContact CB-CD2 4.33Å; V56-L85 HydrophobicContact CG1-CD2 3.93Å; V56-L85 HydrophobicContact CG2-CD2 4.26Å; I58-L85 HydrophobicContact CD1-CD1 4.06Å; F72-L85 CarbonylContact O-C 3.52Å; F72-L85 WeakPolarHBondContact O-CA 3.05Å; F72-L85 WeakPolarHBondContact O-CB 3.35Å; L73-L85 HydrophobicContact CD2-CB 4.27Å; L85-T87 HydrophobicContact CD1-CG2 4.29Å; L85-L106 HydrophobicContact CD2-CD1 3.72Å; L85-L106 HydrophobicContact CD2-CD2 3.77Å; L85-L106 HydrophobicContact CD2-CG 4.28Å; L85-V144 HydrophobicContact CD1-CB 3.76Å; L85-V144 HydrophobicContact CD1-CG2 3.97Å; L85-V144 HydrophobicContact CG-CB 3.91Å; L85-V144 PolarHBondContact N-O 2.91Å; L85-V144 PolarHBondContact O-N 3.01Å
86	L	98.3	Very high	95.1	Very high	22 Å²	22	40.2 Å²	40.2	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147	169.4	-61.7	-178.9	0	0	0	110.9	G71 F72 I74 A142 M143 L161	G71-L86 CarbonylContact C-O 3.54Å; G71-L86 WeakPolarHBondContact CA-O 3.47Å; F72-L86 HydrophobicContact CD2-CB 4.26Å; F72-L86 HydrophobicContact CE1-CB 4.11Å; F72-L86 HydrophobicContact CE2-CB 3.72Å; F72-L86 HydrophobicContact CE2-CD1 3.75Å; F72-L86 HydrophobicContact CE2-CG 4.15Å; F72-L86 HydrophobicContact CZ-CB 3.62Å; F72-L86 HydrophobicContact CZ-CD1 3.98Å; F72-L86 HydrophobicContact CZ-CG 4.38Å; F72-L86 PolarHBondContact N-O 3.01Å; F72-L86 PolarHBondContact O-N 2.99Å; I74-L86 HydrophobicContact CD1-CD1 4.25Å; I74-L86 HydrophobicContact CD1-CD2 4.16Å; I74-L86 HydrophobicContact CD1-CG 3.99Å; I74-L86 HydrophobicContact CG2-CD1 3.93Å; I74-L86 HydrophobicContact CG2-CG 3.99Å; L86-A142 WeakPolarHBondContact CA-O 3.42Å; L86-M143 HydrophobicContact CD2-CB 3.78Å; L86-M143 HydrophobicContact CD2-CG 3.95Å; L86-L161 HydrophobicContact CD1-CD2 3.99Å
87	T	97.4	Very high	95.1	Very high	11 Å²	11	44 Å²	44	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-177.4	175.3	-169.7	0	0	0	0	109.3	I58 S70 L85 L92 A142 V144	I58-T87 HydrophobicContact CD1-CG2 4Å; I58-T87 WeakPolarHBondContact CD1-OG1 3.41Å; S70-T87 PolarHBondContact O-OG1 3.1Å; L85-T87 HydrophobicContact CD1-CG2 4.29Å; T87-L92 HydrophobicContact CG2-CD1 4.39Å; T87-L92 HydrophobicContact CG2-CG 4.47Å; T87-A142 HydrophobicContact CG2-CB 4.07Å; T87-A142 PolarHBondContact N-O 3.49Å; T87-A142 PolarHBondContact O-N 2.59Å; T87-V144 HydrophobicContact CG2-CG2 3.91Å
88	A	95.7	Very high	95.3	Very high	19 Å²	19	44.1 Å²	44.1	16%	0.157	24%	0.242	C	C	.	.			trans	-81.4	148.6	174.9	0	0	0	0	0	111.6	H90 C91	A88-H90 VanDerWaalsContact C-N 3.34Å; A88-H90 WeakPolarHBondContact CB-CE1 3.47Å; A88-H90 WeakPolarHBondContact CB-ND1 3.47Å; A88-C91 WeakPolarHBondContact O-CB 3.47Å; A88-C91 PolarHBondContact O-N 3.45Å
89	S	96.8	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-67.8	-35.8	173.8	-84.5	0	0	0	0	111.8	C91 L92 H93 T129 Y132 D140 I141	S89-C91 PolarHBondContact O-N 3.3Å; S89-L92 PolarHBondContact O-N 3.27Å; S89-H93 PolarHBondContact O-N 2.63Å; S89-H93 VanDerWaalsContact O-N 3.09Å; S89-T129 WeakPolarHBondContact OG-CB 3.5Å; S89-T129 VanDerWaalsContact OG-CG2 3.29Å; S89-T129 WeakPolarHBondContact OG-CG2 3.42Å; S89-Y132 VanDerWaalsContact CB-CD2 3.5Å; S89-Y132 VanDerWaalsContact CB-CG 3.44Å; S89-D140 WeakPolarHBondContact CA-OD1 3.34Å; S89-D140 PolarHBondContact N-OD1 3.34Å; S89-I141 PolarHBondContact OG-O 3.11Å
90	H	94.7	Very high	95.6	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.347	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29	177.9	75.4	-107.6	0	0	0	112.5	A88 L92 H93 Y132 D140	A88-H90 VanDerWaalsContact C-N 3.34Å; A88-H90 WeakPolarHBondContact CB-CE1 3.47Å; A88-H90 WeakPolarHBondContact CB-ND1 3.47Å; H90-L92 PolarHBondContact O-N 2.77Å; H90-H93 PolarHBondContact O-N 3.48Å; H90-Y132 WeakPolarHBondContact CB-OH 3.18Å; H90-D140 IonicContact CE1-OD2 3.89Å; H90-D140 PolarHBondContact CE1-OD2 3.35Å; H90-D140 IonicContact CG-OD1 3.63Å; H90-D140 IonicContact CG-OD2 2.66Å; H90-D140 PolarHBondContact N-OD1 3.44Å; H90-D140 VanDerWaalsContact ND1-CG 3.32Å; H90-D140 IonicContact ND1-OD1 2.85Å; H90-D140 PolarHBondContact ND1-OD1 3.32Å; H90-D140 IonicContact ND1-OD2 3.81Å; H90-D140 PolarHBondContact ND1-OD2 2.77Å
91	C	95.6	Very high	95.8	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.034	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28	174.6	-75.1	0	0	0	0	113.1	C69 A88 S89	C69-C91 HydrophobicContact CB-CB 3.69Å; C69-C91 WeakPolarHBondContact CB-SG 3.44Å; C69-C91 VanDerWaalsContact SG-CA 3.59Å; C69-C91 WeakPolarHBondContact SG-CB 3.32Å; C69-C91 CovalentContact SG-SG 2.03Å; C69-C91 PolarHBondContact SG-SG 3.04Å; A88-C91 WeakPolarHBondContact O-CB 3.47Å; A88-C91 PolarHBondContact O-N 3.45Å; S89-C91 PolarHBondContact O-N 3.3Å
92	L	96.9	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-11.2	-178.5	-50.3	-174.8	0	0	0	112.2	V60 T87 S89 H90 F98 Q99 I104 Y127 A142 V144	V60-L92 HydrophobicContact CG2-CD2 4.25Å; T87-L92 HydrophobicContact CG2-CD1 4.39Å; T87-L92 HydrophobicContact CG2-CG 4.47Å; S89-L92 PolarHBondContact O-N 3.27Å; H90-L92 PolarHBondContact O-N 2.77Å; L92-F98 HydrophobicContact CB-CD1 4.44Å; L92-F98 WeakPolarHBondContact O-CA 3.41Å; L92-Q99 PolarHBondContact O-N 2.87Å; L92-I104 HydrophobicContact CD1-CD1 4.49Å; L92-I104 HydrophobicContact CD2-CD1 3.71Å; L92-I104 HydrophobicContact CD2-CG1 4.26Å; L92-Y127 HydrophobicContact CB-CE2 4.38Å; L92-Y127 HydrophobicContact CD1-CD1 4.06Å; L92-Y127 HydrophobicContact CD1-CD2 3.58Å; L92-Y127 HydrophobicContact CD1-CE1 4.41Å; L92-Y127 HydrophobicContact CD1-CE2 3.99Å; L92-Y127 HydrophobicContact CD1-CG 3.62Å; L92-A142 HydrophobicContact CD1-CB 3.77Å; L92-V144 HydrophobicContact CD1-CG2 3.89Å
93	H	94.7	Very high	95.8	Very high	34 Å²	34	38.6 Å²	38.6	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	88.6	-177.6	-175	-89.9	0	0	0	111.3	S89 H90 G96 K97 F98 Y132	S89-H93 PolarHBondContact O-N 2.63Å; S89-H93 VanDerWaalsContact O-N 3.09Å; H90-H93 PolarHBondContact O-N 3.48Å; H93-G96 VanDerWaalsContact CE1-C 3.48Å; H93-G96 VanDerWaalsContact CE1-CA 3.5Å; H93-G96 WeakPolarHBondContact CE1-CA 3.18Å; H93-G96 VanDerWaalsContact NE2-C 3.26Å; H93-G96 PolarHBondContact NE2-O 2.89Å; H93-K97 CarbonylContact C-O 3.53Å; H93-K97 WeakPolarHBondContact CA-O 3.49Å; H93-K97 PolarHBondContact NE2-N 2.93Å; H93-F98 HydrophobicContact CB-CD1 3.99Å; H93-F98 HydrophobicContact CB-CE1 3.8Å; H93-F98 HydrophobicContact CB-CZ 4.3Å; H93-F98 AromaticContact CD2-CD2 3.83Å; H93-F98 AromaticContact CD2-CE2 3.83Å; H93-Y132 HydrophobicContact CB-CD1 4.23Å; H93-Y132 HydrophobicContact CB-CE1 3.84Å; H93-Y132 AromaticContact CG-CE1 3.87Å; H93-Y132 AromaticContact ND1-CE1 3.95Å
94	I	92.1	Very high	95.9	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.7	-174.1	-50.9	175.6	0	0	0	110	V60 Y62 L67 G96 K97 Q99	V60-I94 HydrophobicContact CB-CD1 3.98Å; V60-I94 HydrophobicContact CG1-CD1 3.74Å; Y62-I94 HydrophobicContact CD1-CD1 3.62Å; Y62-I94 HydrophobicContact CD1-CG2 3.88Å; Y62-I94 HydrophobicContact CD2-CG2 3.76Å; Y62-I94 HydrophobicContact CE1-CD1 4.07Å; Y62-I94 HydrophobicContact CE1-CG2 3.93Å; Y62-I94 HydrophobicContact CE2-CG2 3.81Å; Y62-I94 HydrophobicContact CG-CB 4.47Å; Y62-I94 HydrophobicContact CG-CD1 4.24Å; Y62-I94 HydrophobicContact CG-CG2 3.81Å; L67-I94 HydrophobicContact CB-CD1 3.77Å; L67-I94 HydrophobicContact CD2-CD1 3.78Å; L67-I94 HydrophobicContact CD2-CG1 4Å; L67-I94 HydrophobicContact CG-CD1 4.44Å; I94-G96 VanDerWaalsContact C-N 3.35Å; I94-G96 PolarHBondContact O-N 2.77Å; I94-K97 PolarHBondContact N-O 2.8Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-O 3.06Å; I94-Q99 HydrophobicContact CB-CG 4.25Å; I94-Q99 HydrophobicContact CD1-CG 4.08Å; I94-Q99 HydrophobicContact CG1-CG 4.16Å; I94-Q99 PolarHBondContact O-NE2 2.93Å; I94-Q99 VanDerWaalsContact O-NE2 3.07Å
95	A	89.9	Confident	95.8	Very high	91 Å²	91	40.6 Å²	40.6	75%	0.752	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	47.7	179	0	0	0	0	0	113	K97	A95-K97 VanDerWaalsContact C-N 3.29Å; A95-K97 PolarHBondContact O-N 3.01Å
96	G	90.3	Very high	95.8	Very high	64 Å²	64	40.7 Å²	40.7	66%	0.66	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	11.3	175.2	0	0	0	0	0	115.2	H93 I94	H93-G96 VanDerWaalsContact CE1-C 3.48Å; H93-G96 VanDerWaalsContact CE1-CA 3.5Å; H93-G96 WeakPolarHBondContact CE1-CA 3.18Å; H93-G96 VanDerWaalsContact NE2-C 3.26Å; H93-G96 PolarHBondContact NE2-O 2.89Å; I94-G96 VanDerWaalsContact C-N 3.35Å; I94-G96 PolarHBondContact O-N 2.77Å
97	K	93.5	Very high	95.8	Very high	129 Å²	129	40.8 Å²	40.8	56%	0.561	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.1	178.3	67	-173.7	178.1	-172.6	0	113.6	H93 I94 A95 Q99	H93-K97 CarbonylContact C-O 3.53Å; H93-K97 WeakPolarHBondContact CA-O 3.49Å; H93-K97 PolarHBondContact NE2-N 2.93Å; I94-K97 PolarHBondContact N-O 2.8Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-O 3.06Å; A95-K97 VanDerWaalsContact C-N 3.29Å; A95-K97 PolarHBondContact O-N 3.01Å; K97-Q99 PolarHBondContact O-NE2 2.92Å
98	F	95.5	Very high	95.7	Very high	83 Å²	83	40.3 Å²	40.3	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.2	169.1	-79.4	-65.3	0	0	0	111.5	L92 H93 Y127 T129 Y132	L92-F98 HydrophobicContact CB-CD1 4.44Å; L92-F98 WeakPolarHBondContact O-CA 3.41Å; H93-F98 HydrophobicContact CB-CD1 3.99Å; H93-F98 HydrophobicContact CB-CE1 3.8Å; H93-F98 HydrophobicContact CB-CZ 4.3Å; H93-F98 AromaticContact CD2-CD2 3.83Å; H93-F98 AromaticContact CD2-CE2 3.83Å; F98-Y127 WeakPolarHBondContact CB-OH 3.36Å; F98-Y127 AromaticContact CD1-CE2 4Å; F98-Y127 HydrophobicContact CD1-CE2 4Å; F98-T129 HydrophobicContact CE1-CG2 3.74Å; F98-T129 HydrophobicContact CZ-CG2 4.13Å; F98-Y132 HydrophobicContact CE1-CD1 4.44Å; F98-Y132 AromaticContact CZ-CD1 3.88Å; F98-Y132 HydrophobicContact CZ-CD1 3.88Å; F98-Y132 HydrophobicContact CZ-CG 4.45Å
99	Q	96.3	Very high	95.7	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-82.6	144.3	-179.9	-58.2	-50.5	-53.5	0	0	111.4	V60 L92 I94 K97 Y127	V60-Q99 HydrophobicContact CG1-CB 3.84Å; V60-Q99 HydrophobicContact CG1-CG 3.74Å; L92-Q99 PolarHBondContact O-N 2.87Å; I94-Q99 HydrophobicContact CB-CG 4.25Å; I94-Q99 HydrophobicContact CD1-CG 4.08Å; I94-Q99 HydrophobicContact CG1-CG 4.16Å; I94-Q99 PolarHBondContact O-NE2 2.93Å; I94-Q99 VanDerWaalsContact O-NE2 3.07Å; K97-Q99 PolarHBondContact O-NE2 2.92Å; Q99-Y127 PolarHBondContact N-OH 2.81Å; Q99-Y127 VanDerWaalsContact O-CE1 3.23Å; Q99-Y127 WeakPolarHBondContact O-CE1 3.02Å; Q99-Y127 PolarHBondContact O-OH 2.8Å
100	A	97.4	Very high	95.5	Very high	54 Å²	54	40.2 Å²	40.2	45%	0.446	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-63	143.2	178.6	0	0	0	0	0	111.3	G102 K103	A100-G102 PolarHBondContact O-N 3.17Å; A100-G102 VanDerWaalsContact O-N 3.12Å; A100-K103 HydrophobicContact CB-CG 4.49Å; A100-K103 WeakPolarHBondContact O-CB 3.25Å; A100-K103 PolarHBondContact O-N 2.72Å
101	P	97.9	Very high	95.4	Very high	40 Å²	40	37.8 Å²	37.8	26%	0.26	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-51.8	-38.3	-178.7	-29.2	35	0	0	0	114.7	K103 I104 A124 R125 Y127	P101-K103 PolarHBondContact O-N 2.86Å; P101-I104 WeakPolarHBondContact O-CB 3.49Å; P101-I104 PolarHBondContact O-N 2.86Å; P101-A124 HydrophobicContact CB-CB 4.36Å; P101-R125 WeakPolarHBondContact CB-O 3.16Å; P101-Y127 HydrophobicContact CG-CD1 4.16Å; P101-Y127 HydrophobicContact CG-CE1 4.06Å
102	G	97.2	Very high	95.1	Very high	53 Å²	53	39.3 Å²	39.3	55%	0.546	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.8	-6.3	177.8	0	0	0	0	0	115.4	A100	A100-G102 PolarHBondContact O-N 3.17Å; A100-G102 VanDerWaalsContact O-N 3.12Å
103	K	97.5	Very high	94.6	Very high	73 Å²	73	41 Å²	41	32%	0.317	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-96.5	-2	173	-59.1	-168.9	-175.6	-179.8	0	113.4	V60 T61 A100 P101	V60-K103 WeakPolarHBondContact CA-O 3.31Å; T61-K103 PolarHBondContact N-O 3Å; T61-K103 WeakPolarHBondContact O-CB 3.3Å; T61-K103 VanDerWaalsContact O-CD 3.23Å; T61-K103 WeakPolarHBondContact O-CD 3.42Å; T61-K103 WeakPolarHBondContact OG1-CB 3.21Å; T61-K103 PolarHBondContact OG1-O 2.85Å; A100-K103 HydrophobicContact CB-CG 4.49Å; A100-K103 WeakPolarHBondContact O-CB 3.25Å; A100-K103 PolarHBondContact O-N 2.72Å; P101-K103 PolarHBondContact O-N 2.86Å
104	I	98.5	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112	-176.5	-56.2	167.2	0	0	0	108.6	I58 V60 L92 P101 L106 A124 Y127	I58-I104 HydrophobicContact CG2-CG2 3.99Å; V60-I104 HydrophobicContact CG1-CG1 4.28Å; V60-I104 HydrophobicContact CG2-CG1 4.28Å; L92-I104 HydrophobicContact CD1-CD1 4.49Å; L92-I104 HydrophobicContact CD2-CD1 3.71Å; L92-I104 HydrophobicContact CD2-CG1 4.26Å; P101-I104 WeakPolarHBondContact O-CB 3.49Å; P101-I104 PolarHBondContact O-N 2.86Å; I104-L106 HydrophobicContact CG2-CD2 3.99Å; I104-L106 HydrophobicContact CG2-CG 4.46Å; I104-A124 HydrophobicContact CB-CB 3.73Å; I104-A124 HydrophobicContact CD1-CB 4.24Å; I104-A124 HydrophobicContact CG2-CB 3.91Å; I104-A124 PolarHBondContact O-N 3.09Å; I104-A124 VanDerWaalsContact O-N 3.09Å; I104-Y127 HydrophobicContact CD1-CD1 3.57Å; I104-Y127 HydrophobicContact CD1-CE1 3.56Å
105	F	98.1	Very high	93.9	Very high	77 Å²	77	49 Å²	49	34%	0.338	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140	177.4	-58.8	-90.9	0	0	0	109.3	I58 L59 T61 R123	I58-F105 WeakPolarHBondContact CA-O 3.08Å; L59-F105 HydrophobicContact CB-CB 4.36Å; L59-F105 HydrophobicContact CD2-CD2 3.98Å; L59-F105 PolarHBondContact N-O 3.17Å; L59-F105 PolarHBondContact O-N 3.35Å; T61-F105 HydrophobicContact CG2-CD2 4.27Å; T61-F105 HydrophobicContact CG2-CE2 3.93Å; F105-R123 HydrophobicContact CD1-CG 4.14Å; F105-R123 HydrophobicContact CE1-CG 4.3Å
106	L	98.1	Very high	93.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.9	-172	-56.2	170.6	0	0	0	108.4	V56 S57 I58 L85 I104 L108 P121 R122 V144 M146	V56-L106 HydrophobicContact CG1-CB 4.09Å; V56-L106 HydrophobicContact CG1-CD2 4.21Å; S57-L106 CarbonylContact O-C 3.41Å; S57-L106 WeakPolarHBondContact O-CA 3.34Å; I58-L106 HydrophobicContact CB-CD2 4.31Å; I58-L106 HydrophobicContact CD1-CD2 4.42Å; I58-L106 HydrophobicContact CG1-CD2 3.79Å; I58-L106 HydrophobicContact CG2-CD2 4.09Å; L85-L106 HydrophobicContact CD2-CD1 3.72Å; L85-L106 HydrophobicContact CD2-CD2 3.77Å; L85-L106 HydrophobicContact CD2-CG 4.28Å; I104-L106 HydrophobicContact CG2-CD2 3.99Å; I104-L106 HydrophobicContact CG2-CG 4.46Å; L106-L108 HydrophobicContact CB-CD1 4.4Å; L106-P121 CarbonylContact O-C 3.55Å; L106-P121 WeakPolarHBondContact O-CA 3.45Å; L106-R122 HydrophobicContact CB-CB 4.04Å; L106-R122 HydrophobicContact CD1-CB 4.4Å; L106-R122 PolarHBondContact N-O 3.31Å; L106-R122 PolarHBondContact O-N 2.88Å; L106-V144 HydrophobicContact CD1-CG1 4.35Å; L106-M146 HydrophobicContact CD1-CG 3.59Å; L106-M146 HydrophobicContact CD1-SD 4.13Å
107	V	96.8	Very high	93	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.9	176.4	-176.4	0	0	0	0	108.6	S57 A110 F116 T119	S57-V107 PolarHBondContact N-O 3.29Å; S57-V107 PolarHBondContact O-N 2.94Å; V107-A110 HydrophobicContact CG1-CB 4.08Å; V107-F116 HydrophobicContact CG1-CD1 3.96Å; V107-F116 HydrophobicContact CG1-CE1 3.92Å; V107-F116 HydrophobicContact CG2-CE1 4.12Å; V107-T119 HydrophobicContact CG1-CG2 3.91Å
108	L	97.3	Very high	92.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.9	-179	-52.7	90.1	0	0	0	110.5	V56 L73 L106 A110 T119 I120 R122 M146 V150 V156	V56-L108 HydrophobicContact CG1-CG 4.11Å; V56-L108 HydrophobicContact CG2-CD2 3.97Å; V56-L108 HydrophobicContact CG2-CG 4Å; L73-L108 HydrophobicContact CD1-CD2 3.79Å; L73-L108 HydrophobicContact CD2-CD2 3.62Å; L73-L108 HydrophobicContact CG-CD2 4.01Å; L106-L108 HydrophobicContact CB-CD1 4.4Å; L108-A110 PolarHBondContact O-N 2.98Å; L108-T119 WeakPolarHBondContact O-CA 3.21Å; L108-I120 HydrophobicContact CB-CB 4.3Å; L108-I120 WeakPolarHBondContact CD1-O 3.15Å; L108-I120 PolarHBondContact N-O 3.1Å; L108-I120 VanDerWaalsContact N-O 3.17Å; L108-I120 PolarHBondContact O-N 2.85Å; L108-R122 HydrophobicContact CD1-CB 4.03Å; L108-R122 HydrophobicContact CD1-CG 3.74Å; L108-M146 HydrophobicContact CD1-SD 4.09Å; L108-M146 HydrophobicContact CD2-CE 4.38Å; L108-M146 HydrophobicContact CD2-SD 4.19Å; L108-V150 HydrophobicContact CD2-CB 4.3Å; L108-V150 HydrophobicContact CD2-CG1 3.89Å; L108-V150 HydrophobicContact CD2-CG2 4.4Å; L108-V156 HydrophobicContact CB-CG2 4.3Å; L108-V156 HydrophobicContact CD2-CG1 4.41Å
109	G	94.9	Very high	92.5	Very high	7 Å²	7	50.7 Å²	50.7	7%	0.072	28%	0.281	C	S	.	.	S	Bend	trans	76	-0.6	179.4	0	0	0	0	0	114.6	H50	H50-G109 PolarHBondContact CE1-O 2.94Å; H50-G109 VanDerWaalsContact CE1-O 3.25Å; H50-G109 PolarHBondContact ND1-O 2Å
110	A	93.3	Very high	92.5	Very high	11 Å²	11	51.9 Å²	51.9	9%	0.091	29%	0.287	C	S	.	.			trans	-68	138.5	178	0	0	0	0	0	111.3	V107 L108 L113 T119 W179	V107-A110 HydrophobicContact CG1-CB 4.08Å; L108-A110 PolarHBondContact O-N 2.98Å; A110-L113 HydrophobicContact CB-CD2 3.89Å; A110-T119 HydrophobicContact CB-CG2 3.81Å; A110-W179 HydrophobicContact CB-CZ2 4.34Å; A110-W179 WeakPolarHBondContact O-CZ2 3.34Å
111	H	91.5	Very high	92.4	Very high	23 Å²	23	53.3 Å²	53.3	11%	0.106	29%	0.292	C	S	.	.	S	Bend	trans	-105.8	-50.5	161.8	177.3	64.9	0	0	0	109.8	E46 A47 P49 W179 S191 L192	E46-H111 IonicContact OE1-CD2 3.76Å; E46-H111 IonicContact OE1-CE1 3.62Å; E46-H111 IonicContact OE1-NE2 2.76Å; E46-H111 PolarHBondContact OE1-NE2 2.86Å; A47-H111 PolarHBondContact O-CE1 3.35Å; P49-H111 HydrophobicContact CB-CB 4.22Å; H111-W179 PolarHBondContact O-NE1 2.82Å; H111-S191 CarbonylContact O-C 3.59Å; H111-S191 WeakPolarHBondContact O-CA 3.44Å; H111-L192 PolarHBondContact O-N 2.77Å
112	N	89.9	Confident	92.4	Very high	37 Å²	37	54.5 Å²	54.5	20%	0.198	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-112.5	124.3	174.9	-175.7	-23.7	0	0	0	110	D114 H115 H190	N112-D114 PolarHBondContact O-N 2.89Å; N112-D114 WeakPolarHBondContact OD1-CB 3.43Å; N112-D114 PolarHBondContact OD1-N 2.79Å; N112-H115 PolarHBondContact ND2-ND1 3.3Å; N112-H115 PolarHBondContact O-N 2.81Å; N112-H115 VanDerWaalsContact O-O 3.12Å; N112-H190 CarbonylContact C-O 3.49Å; N112-H190 WeakPolarHBondContact CA-O 3.46Å
113	L	86.8	Confident	92.5	Very high	36 Å²	36	58.5 Å²	58.5	19%	0.188	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.5	180	-62.4	179.8	0	0	0	114.3	A110 F116 W179 H190	A110-L113 HydrophobicContact CB-CD2 3.89Å; L113-F116 HydrophobicContact CB-CZ 4.49Å; L113-F116 HydrophobicContact CD2-CE1 4.49Å; L113-F116 WeakPolarHBondContact O-CE2 3.25Å; L113-F116 WeakPolarHBondContact O-CZ 3.33Å; L113-W179 HydrophobicContact CD1-CB 3.56Å; L113-W179 HydrophobicContact CD1-CD2 4.1Å; L113-W179 HydrophobicContact CD1-CG 3.5Å; L113-W179 HydrophobicContact CD2-CD2 4.48Å; L113-W179 HydrophobicContact CG-CB 4.39Å; L113-W179 HydrophobicContact CG-CD2 4.33Å; L113-W179 HydrophobicContact CG-CG 3.86Å; L113-H190 PolarHBondContact N-O 3.29Å
114	D	85.8	Confident	92.5	Very high	96 Å²	96	55 Å²	55	51%	0.513	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.7	166.8	-65.7	-41.6	0	0	0	112.7	N112 H190	N112-D114 PolarHBondContact O-N 2.89Å; N112-D114 WeakPolarHBondContact OD1-CB 3.43Å; N112-D114 PolarHBondContact OD1-N 2.79Å; D114-H190 IonicContact OD1-CE1 2.88Å; D114-H190 PolarHBondContact OD1-CE1 3.17Å; D114-H190 IonicContact OD1-CG 3.99Å; D114-H190 IonicContact OD1-ND1 3.46Å; D114-H190 PolarHBondContact OD1-ND1 2.86Å; D114-H190 WeakPolarHBondContact OD2-CB 3.43Å; D114-H190 IonicContact OD2-CE1 3.82Å; D114-H190 IonicContact OD2-CG 2.71Å; D114-H190 IonicContact OD2-ND1 3.45Å; D114-H190 PolarHBondContact OD2-ND1 2.85Å
115	H	85.2	Confident	92.5	Very high	123 Å²	123	62 Å²	62	57%	0.569	30%	0.302	S	S	*	.			trans	-124.2	98.7	-172.9	-60.6	88.6	0	0	0	110.2	N112	N112-H115 PolarHBondContact ND2-ND1 3.3Å; N112-H115 PolarHBondContact O-N 2.81Å; N112-H115 VanDerWaalsContact O-O 3.12Å
116	F	82.1	Confident	92.5	Very high	99 Å²	99	61.8 Å²	61.8	43%	0.434	30%	0.304	S	S	.	.			trans	-96.6	-0.2	-173.2	-69.9	-81.1	0	0	0	115	V107 L113 D118 T119	V107-F116 HydrophobicContact CG1-CD1 3.96Å; V107-F116 HydrophobicContact CG1-CE1 3.92Å; V107-F116 HydrophobicContact CG2-CE1 4.12Å; L113-F116 HydrophobicContact CB-CZ 4.49Å; L113-F116 HydrophobicContact CD2-CE1 4.49Å; L113-F116 WeakPolarHBondContact O-CE2 3.25Å; L113-F116 WeakPolarHBondContact O-CZ 3.33Å; F116-D118 VanDerWaalsContact C-N 3.27Å; F116-D118 PolarHBondContact O-N 2.76Å; F116-D118 VanDerWaalsContact O-N 3.13Å; F116-T119 HydrophobicContact CB-CG2 4.38Å; F116-T119 HydrophobicContact CD1-CG2 4.03Å; F116-T119 WeakPolarHBondContact O-CB 3.38Å; F116-T119 PolarHBondContact O-N 2.81Å; F116-T119 PolarHBondContact O-OG1 3.02Å
117	D	79.3	Confident	92.5	Very high	152 Å²	152	63.7 Å²	63.7	81%	0.813	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.3	-167	-63.5	-29.2	0	0	0	113.8
118	D	84.2	Confident	92.6	Very high	127 Å²	127	66.4 Å²	66.4	68%	0.679	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	16.5	179.4	-65.8	-48.2	0	0	0	113.8	F116	F116-D118 VanDerWaalsContact C-N 3.27Å; F116-D118 PolarHBondContact O-N 2.76Å; F116-D118 VanDerWaalsContact O-N 3.13Å
119	T	94	Very high	92.5	Very high	25 Å²	25	68.7 Å²	68.7	15%	0.153	34%	0.342	C	S	.	.			trans	-87.9	157.7	-178.5	68.3	0	0	0	0	112.8	V107 L108 A110 F116 P121	V107-T119 HydrophobicContact CG1-CG2 3.91Å; L108-T119 WeakPolarHBondContact O-CA 3.21Å; A110-T119 HydrophobicContact CB-CG2 3.81Å; F116-T119 HydrophobicContact CB-CG2 4.38Å; F116-T119 HydrophobicContact CD1-CG2 4.03Å; F116-T119 WeakPolarHBondContact O-CB 3.38Å; F116-T119 PolarHBondContact O-N 2.81Å; F116-T119 PolarHBondContact O-OG1 3.02Å; T119-P121 VanDerWaalsContact O-CD 3.32Å; T119-P121 WeakPolarHBondContact O-CD 3.33Å
120	I	96.4	Very high	92.3	Very high	30 Å²	30	73.2 Å²	73.2	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	96.6	179.6	-56.4	178	0	0	0	108.3	L108 R122 V150 Y155 V156	L108-I120 HydrophobicContact CB-CB 4.3Å; L108-I120 WeakPolarHBondContact CD1-O 3.15Å; L108-I120 PolarHBondContact N-O 3.1Å; L108-I120 VanDerWaalsContact N-O 3.17Å; L108-I120 PolarHBondContact O-N 2.85Å; I120-R122 VanDerWaalsContact CG2-CZ 3.47Å; I120-V150 HydrophobicContact CD1-CG2 3.77Å; I120-V150 HydrophobicContact CG2-CG2 4.07Å; I120-Y155 HydrophobicContact CD1-CE2 4.1Å; I120-V156 HydrophobicContact CD1-CG2 3.99Å
121	P	96.7	Very high	91.9	Very high	85 Å²	85	80.7 Å²	80.7	55%	0.552	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.4	176.9	28.7	-34.1	0	0	0	111	L106 T119	L106-P121 CarbonylContact O-C 3.55Å; L106-P121 WeakPolarHBondContact O-CA 3.45Å; T119-P121 VanDerWaalsContact O-CD 3.32Å; T119-P121 WeakPolarHBondContact O-CD 3.33Å
122	R	97.8	Very high	91.8	Very high	65 Å²	65	80.9 Å²	80.9	25%	0.245	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.9	174.8	-68.9	-65.4	-176.9	-90.2	-0.2	110.1	L106 L108 I120 M146 K148 P149	L106-R122 HydrophobicContact CB-CB 4.04Å; L106-R122 HydrophobicContact CD1-CB 4.4Å; L106-R122 PolarHBondContact N-O 3.31Å; L106-R122 PolarHBondContact O-N 2.88Å; L108-R122 HydrophobicContact CD1-CB 4.03Å; L108-R122 HydrophobicContact CD1-CG 3.74Å; I120-R122 VanDerWaalsContact CG2-CZ 3.47Å; R122-M146 HydrophobicContact CB-CG 4.36Å; R122-M146 HydrophobicContact CB-SD 3.86Å; R122-M146 HydrophobicContact CG-SD 3.76Å; R122-K148 WeakPolarHBondContact CD-O 3.31Å; R122-K148 PolarHBondContact NE-O 3.22Å; R122-P149 PolarHBondContact NE-O 2.96Å; R122-P149 PolarHBondContact NH2-O 3.49Å; R122-P149 VanDerWaalsContact NH2-O 3.11Å
123	R	98	Very high	91.5	Very high	136 Å²	136	86.5 Å²	86.5	51%	0.513	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.8	168.7	-67.6	-176.8	-131.9	174.7	2	109.2	F105 M146 E147	F105-R123 HydrophobicContact CD1-CG 4.14Å; F105-R123 HydrophobicContact CE1-CG 4.3Å; R123-M146 WeakPolarHBondContact O-CA 3.48Å; R123-E147 HydrophobicContact CB-CG 4.14Å; R123-E147 PolarHBondContact O-N 3.28Å
124	A	98.7	Very high	91.2	Very high	1 Å²	1	87.5 Å²	87.5	1%	0.008	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.7	169.4	0	0	0	0	0	110.2	P101 I104 V144 R145	P101-A124 HydrophobicContact CB-CB 4.36Å; I104-A124 HydrophobicContact CB-CB 3.73Å; I104-A124 HydrophobicContact CD1-CB 4.24Å; I104-A124 HydrophobicContact CG2-CB 3.91Å; I104-A124 PolarHBondContact O-N 3.09Å; I104-A124 VanDerWaalsContact O-N 3.09Å; A124-V144 HydrophobicContact CB-CG1 3.57Å; A124-R145 CarbonylContact C-O 3.29Å
125	R	98.5	Very high	90.9	Very high	146 Å²	146	89.9 Å²	89.9	55%	0.551	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-48.7	167.9	-178.6	179.3	176.2	-174.8	-0.7	110.4	P101 R145 E147	P101-R125 WeakPolarHBondContact CB-O 3.16Å; R125-R145 PolarHBondContact N-O 2.95Å; R125-E147 HydrophobicContact CB-CG 4.08Å
126	N	98.2	Very high	90.7	Very high	73 Å²	73	86.5 Å²	86.5	39%	0.39	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	175.5	175.8	62.2	22.5	0	0	0	109.5	R145	N126-R145 PolarHBondContact N-O 3.33Å; N126-R145 PolarHBondContact O-N 3.12Å; N126-R145 VanDerWaalsContact OD1-CB 3.25Å; N126-R145 WeakPolarHBondContact OD1-CB 3.41Å
127	Y	98.2	Very high	90.6	Very high	40 Å²	40	87.4 Å²	87.4	16%	0.157	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.9	171.4	61.1	-94.8	0	0	0	109.7	L92 F98 Q99 P101 I104 T129 M143	L92-Y127 HydrophobicContact CB-CE2 4.38Å; L92-Y127 HydrophobicContact CD1-CD1 4.06Å; L92-Y127 HydrophobicContact CD1-CD2 3.58Å; L92-Y127 HydrophobicContact CD1-CE1 4.41Å; L92-Y127 HydrophobicContact CD1-CE2 3.99Å; L92-Y127 HydrophobicContact CD1-CG 3.62Å; F98-Y127 WeakPolarHBondContact CB-OH 3.36Å; F98-Y127 AromaticContact CD1-CE2 4Å; F98-Y127 HydrophobicContact CD1-CE2 4Å; Q99-Y127 PolarHBondContact N-OH 2.81Å; Q99-Y127 VanDerWaalsContact O-CE1 3.23Å; Q99-Y127 WeakPolarHBondContact O-CE1 3.02Å; Q99-Y127 PolarHBondContact O-OH 2.8Å; P101-Y127 HydrophobicContact CG-CD1 4.16Å; P101-Y127 HydrophobicContact CG-CE1 4.06Å; I104-Y127 HydrophobicContact CD1-CD1 3.57Å; I104-Y127 HydrophobicContact CD1-CE1 3.56Å; Y127-T129 HydrophobicContact CD2-CG2 4.13Å; Y127-T129 HydrophobicContact CE2-CG2 4.29Å; Y127-M143 CarbonylContact C-O 3.56Å; Y127-M143 WeakPolarHBondContact CA-O 3.11Å; Y127-M143 VanDerWaalsContact CB-O 3.29Å; Y127-M143 WeakPolarHBondContact CB-O 2.94Å
128	V	97.4	Very high	91	Very high	81 Å²	81	83.2 Å²	83.2	49%	0.491	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.5	174.1	-63.1	0	0	0	0	109.7	A142 M143	V128-A142 WeakPolarHBondContact O-CA 3.18Å; V128-M143 HydrophobicContact CG2-CB 3.85Å; V128-M143 HydrophobicContact CG2-CE 3.7Å; V128-M143 PolarHBondContact N-O 2.93Å; V128-M143 PolarHBondContact O-N 2.94Å
129	T	95.1	Very high	91.2	Very high	49 Å²	49	80.6 Å²	80.6	30%	0.301	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.4	175.3	65.2	0	0	0	0	108.9	S89 F98 Y127 A142	S89-T129 WeakPolarHBondContact OG-CB 3.5Å; S89-T129 VanDerWaalsContact OG-CG2 3.29Å; S89-T129 WeakPolarHBondContact OG-CG2 3.42Å; F98-T129 HydrophobicContact CE1-CG2 3.74Å; F98-T129 HydrophobicContact CZ-CG2 4.13Å; Y127-T129 HydrophobicContact CD2-CG2 4.13Å; Y127-T129 HydrophobicContact CE2-CG2 4.29Å; T129-A142 HydrophobicContact CG2-CB 3.9Å
130	H	90.5	Very high	91.2	Very high	102 Å²	102	81.8 Å²	81.8	47%	0.472	41%	0.406	S	S	.	.	S	Bend	trans	-110.8	94.3	178.8	-175.9	67.7	0	0	0	110.7	Y132 N139	H130-Y132 PolarHBondContact O-N 2.85Å; H130-N139 WeakPolarHBondContact O-CB 3.29Å
131	F	86.7	Confident	91.1	Very high	168 Å²	168	84.7 Å²	84.7	74%	0.737	42%	0.421	S	S	*	.	S	Bend	trans	41.2	44.7	174.9	-57.3	-69.8	0	0	0	114.5	R133 N139	F131-R133 PolarHBondContact O-N 2.83Å; F131-N139 PolarHBondContact O-ND2 2.88Å
132	Y	88.1	Confident	91.2	Very high	28 Å²	28	80.7 Å²	80.7	11%	0.11	40%	0.395	C	S	.	.			trans	-60.2	125.2	-176.3	172.9	-116.3	0	0	0	110.7	S89 H90 H93 F98 H130 D138 D140	S89-Y132 VanDerWaalsContact CB-CD2 3.5Å; S89-Y132 VanDerWaalsContact CB-CG 3.44Å; H90-Y132 WeakPolarHBondContact CB-OH 3.18Å; H93-Y132 HydrophobicContact CB-CD1 4.23Å; H93-Y132 HydrophobicContact CB-CE1 3.84Å; H93-Y132 AromaticContact CG-CE1 3.87Å; H93-Y132 AromaticContact ND1-CE1 3.95Å; F98-Y132 HydrophobicContact CE1-CD1 4.44Å; F98-Y132 AromaticContact CZ-CD1 3.88Å; F98-Y132 HydrophobicContact CZ-CD1 3.88Å; F98-Y132 HydrophobicContact CZ-CG 4.45Å; H130-Y132 PolarHBondContact O-N 2.85Å; Y132-D138 WeakPolarHBondContact CD2-O 3.05Å; Y132-D140 HydrophobicContact CD2-CB 4.35Å; Y132-D140 HydrophobicContact CE2-CB 4.03Å
133	R	84.2	Confident	91.2	Very high	154 Å²	154	81.2 Å²	81.2	58%	0.581	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-105.3	95.4	179.7	-64.9	175.2	66.6	-165.2	7.9	109.7	F131 V135 A136 E137 D138	F131-R133 PolarHBondContact O-N 2.83Å; R133-V135 PolarHBondContact O-N 2.85Å; R133-A136 HydrophobicContact CB-CB 4.41Å; R133-A136 PolarHBondContact O-N 2.84Å; R133-E137 WeakPolarHBondContact O-CA 3.47Å; R133-E137 PolarHBondContact O-N 3.19Å; R133-D138 HydrophobicContact CB-CB 4.17Å; R133-D138 HydrophobicContact CG-CB 4.48Å; R133-D138 IonicContact CZ-OD2 3.81Å; R133-D138 PolarHBondContact N-O 2.9Å; R133-D138 VanDerWaalsContact N-O 3.15Å; R133-D138 IonicContact NE-OD2 3.37Å; R133-D138 IonicContact NH1-OD2 3.29Å; R133-D138 PolarHBondContact NH1-OD2 2.86Å
134	S	80.6	Confident	91.2	Very high	58 Å²	58	74.8 Å²	74.8	41%	0.406	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.7	-171.4	68.5	0	0	0	0	116.4
135	V	79.9	Confident	91.2	Very high	146 Å²	146	79.4 Å²	79.4	89%	0.885	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-36.5	178.3	178.7	0	0	0	0	111.7	R133	R133-V135 PolarHBondContact O-N 2.85Å
136	A	81.2	Confident	91.3	Very high	52 Å²	52	72.5 Å²	72.5	43%	0.43	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.5	-179.7	0	0	0	0	0	112.6	R133 D138	R133-A136 HydrophobicContact CB-CB 4.41Å; R133-A136 PolarHBondContact O-N 2.84Å; A136-D138 HydrophobicContact CB-CB 4.39Å; A136-D138 WeakPolarHBondContact CB-OD2 3.4Å; A136-D138 PolarHBondContact O-N 3.08Å
137	E	79.8	Confident	91.3	Very high	118 Å²	118	73.6 Å²	73.6	55%	0.551	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	23.4	-167	-57.9	-169.3	166.9	0	0	113.1	R133 D140	R133-E137 WeakPolarHBondContact O-CA 3.47Å; R133-E137 PolarHBondContact O-N 3.19Å; E137-D140 WeakPolarHBondContact O-CB 3.13Å
138	D	86.7	Confident	91.2	Very high	63 Å²	63	78.4 Å²	78.4	34%	0.337	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-66.7	144.4	173.2	-64.6	-25.6	0	0	0	110.5	Y132 R133 A136 D140	Y132-D138 WeakPolarHBondContact CD2-O 3.05Å; R133-D138 HydrophobicContact CB-CB 4.17Å; R133-D138 HydrophobicContact CG-CB 4.48Å; R133-D138 IonicContact CZ-OD2 3.81Å; R133-D138 PolarHBondContact N-O 2.9Å; R133-D138 VanDerWaalsContact N-O 3.15Å; R133-D138 IonicContact NE-OD2 3.37Å; R133-D138 IonicContact NH1-OD2 3.29Å; R133-D138 PolarHBondContact NH1-OD2 2.86Å; A136-D138 HydrophobicContact CB-CB 4.39Å; A136-D138 WeakPolarHBondContact CB-OD2 3.4Å; A136-D138 PolarHBondContact O-N 3.08Å; D138-D140 VanDerWaalsContact C-N 3.3Å; D138-D140 PolarHBondContact O-N 2.81Å
139	N	89.4	Confident	91.3	Very high	72 Å²	72	76.6 Å²	76.6	39%	0.385	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	42.2	179.9	-50.9	-54.3	0	0	0	113	H130 F131 I141	H130-N139 WeakPolarHBondContact O-CB 3.29Å; F131-N139 PolarHBondContact O-ND2 2.88Å; N139-I141 PolarHBondContact O-N 2.82Å
140	D	93.2	Very high	91.4	Very high	51 Å²	51	74.3 Å²	74.3	27%	0.273	37%	0.369	S	S	.	.			trans	-74.4	61.6	-179	-172.7	31.9	0	0	0	113.5	S89 H90 Y132 E137 D138	S89-D140 WeakPolarHBondContact CA-OD1 3.34Å; S89-D140 PolarHBondContact N-OD1 3.34Å; H90-D140 IonicContact CE1-OD2 3.89Å; H90-D140 PolarHBondContact CE1-OD2 3.35Å; H90-D140 IonicContact CG-OD1 3.63Å; H90-D140 IonicContact CG-OD2 2.66Å; H90-D140 PolarHBondContact N-OD1 3.44Å; H90-D140 VanDerWaalsContact ND1-CG 3.32Å; H90-D140 IonicContact ND1-OD1 2.85Å; H90-D140 PolarHBondContact ND1-OD1 3.32Å; H90-D140 IonicContact ND1-OD2 3.81Å; H90-D140 PolarHBondContact ND1-OD2 2.77Å; Y132-D140 HydrophobicContact CD2-CB 4.35Å; Y132-D140 HydrophobicContact CE2-CB 4.03Å; E137-D140 WeakPolarHBondContact O-CB 3.13Å; D138-D140 VanDerWaalsContact C-N 3.3Å; D138-D140 PolarHBondContact O-N 2.81Å
141	I	95.1	Very high	91.7	Very high	91 Å²	91	76.5 Å²	76.5	47%	0.467	38%	0.377	S	S	.	.			trans	-139	136.9	178.4	-170.5	168.6	0	0	0	110.3	S89 N139	S89-I141 PolarHBondContact OG-O 3.11Å; N139-I141 PolarHBondContact O-N 2.82Å
142	A	97.7	Very high	92.1	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.008	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.8	177.5	0	0	0	0	0	110.8	L86 T87 L92 V128 T129	L86-A142 WeakPolarHBondContact CA-O 3.42Å; T87-A142 HydrophobicContact CG2-CB 4.07Å; T87-A142 PolarHBondContact N-O 3.49Å; T87-A142 PolarHBondContact O-N 2.59Å; L92-A142 HydrophobicContact CD1-CB 3.77Å; V128-A142 WeakPolarHBondContact O-CA 3.18Å; T129-A142 HydrophobicContact CG2-CB 3.9Å
143	M	98.3	Very high	92.4	Very high	75 Å²	75	69.3 Å²	69.3	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	172.2	-177	175.8	67.7	0	0	108.9	I84 L86 Y127 V128	I84-M143 HydrophobicContact CD1-SD 4.14Å; I84-M143 HydrophobicContact CG2-CG 3.33Å; I84-M143 HydrophobicContact CG2-SD 3.58Å; I84-M143 VanDerWaalsContact CG2-SD 3.58Å; L86-M143 HydrophobicContact CD2-CB 3.78Å; L86-M143 HydrophobicContact CD2-CG 3.95Å; Y127-M143 CarbonylContact C-O 3.56Å; Y127-M143 WeakPolarHBondContact CA-O 3.11Å; Y127-M143 VanDerWaalsContact CB-O 3.29Å; Y127-M143 WeakPolarHBondContact CB-O 2.94Å; V128-M143 HydrophobicContact CG2-CB 3.85Å; V128-M143 HydrophobicContact CG2-CE 3.7Å; V128-M143 PolarHBondContact N-O 2.93Å; V128-M143 PolarHBondContact O-N 2.94Å
144	V	98.7	Very high	92.8	Very high	1 Å²	1	65 Å²	65	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	-178.9	-177.9	0	0	0	0	109	I84 L85 T87 L92 L106 A124	I84-V144 WeakPolarHBondContact CA-O 3.25Å; L85-V144 HydrophobicContact CD1-CB 3.76Å; L85-V144 HydrophobicContact CD1-CG2 3.97Å; L85-V144 HydrophobicContact CG-CB 3.91Å; L85-V144 PolarHBondContact N-O 2.91Å; L85-V144 PolarHBondContact O-N 3.01Å; T87-V144 HydrophobicContact CG2-CG2 3.91Å; L92-V144 HydrophobicContact CD1-CG2 3.89Å; L106-V144 HydrophobicContact CD1-CG1 4.35Å; A124-V144 HydrophobicContact CB-CG1 3.57Å
145	R	98.7	Very high	93.4	Very high	98 Å²	98	66.1 Å²	66.1	37%	0.37	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.9	172.7	-166.9	178.2	-178.3	165.2	8.8	110.2	D83 A124 R125 N126	D83-R145 HydrophobicContact CB-CG 4.48Å; D83-R145 CarbonylContact O-C 3.54Å; D83-R145 VanDerWaalsContact O-CA 3.31Å; D83-R145 WeakPolarHBondContact O-CA 3.33Å; D83-R145 IonicContact OD1-NE 3.79Å; D83-R145 IonicContact OD2-CZ 3.23Å; D83-R145 VanDerWaalsContact OD2-CZ 3.23Å; D83-R145 IonicContact OD2-NE 2.75Å; D83-R145 PolarHBondContact OD2-NE 2.93Å; D83-R145 IonicContact OD2-NH2 2.83Å; D83-R145 PolarHBondContact OD2-NH2 2.79Å; A124-R145 CarbonylContact C-O 3.29Å; R125-R145 PolarHBondContact N-O 2.95Å; N126-R145 PolarHBondContact N-O 3.33Å; N126-R145 PolarHBondContact O-N 3.12Å; N126-R145 VanDerWaalsContact OD1-CB 3.25Å; N126-R145 WeakPolarHBondContact OD1-CB 3.41Å
146	M	98.6	Very high	94.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	154.2	177.4	-60.1	-172.4	-77.4	0	0	111.7	L73 T82 D83 L106 L108 R122 R123 K148 V150	L73-M146 HydrophobicContact CD2-CE 3.95Å; T82-M146 WeakPolarHBondContact O-CE 3.3Å; D83-M146 PolarHBondContact O-N 2.99Å; L106-M146 HydrophobicContact CD1-CG 3.59Å; L106-M146 HydrophobicContact CD1-SD 4.13Å; L108-M146 HydrophobicContact CD1-SD 4.09Å; L108-M146 HydrophobicContact CD2-CE 4.38Å; L108-M146 HydrophobicContact CD2-SD 4.19Å; R122-M146 HydrophobicContact CB-CG 4.36Å; R122-M146 HydrophobicContact CB-SD 3.86Å; R122-M146 HydrophobicContact CG-SD 3.76Å; R123-M146 WeakPolarHBondContact O-CA 3.48Å; M146-K148 VanDerWaalsContact C-N 3.26Å; M146-K148 WeakPolarHBondContact CB-O 2.98Å; M146-K148 PolarHBondContact O-N 3.09Å; M146-V150 HydrophobicContact CE-CB 4.33Å; M146-V150 HydrophobicContact CE-CG1 3.9Å
147	E	98.2	Very high	94.9	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-32.3	172.4	-72	-178.8	168.3	0	0	113.1	R123 R125	R123-E147 HydrophobicContact CB-CG 4.14Å; R123-E147 PolarHBondContact O-N 3.28Å; R125-E147 HydrophobicContact CB-CG 4.08Å
148	K	97.9	Very high	95.7	Very high	140 Å²	140	51.1 Å²	51.1	61%	0.609	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.4	178.5	-64.7	-177.1	-178	179.5	0	109.5	R122 M146	R122-K148 WeakPolarHBondContact CD-O 3.31Å; R122-K148 PolarHBondContact NE-O 3.22Å; M146-K148 VanDerWaalsContact C-N 3.26Å; M146-K148 WeakPolarHBondContact CB-O 2.98Å; M146-K148 PolarHBondContact O-N 3.09Å
149	P	98	Very high	96.1	Very high	44 Å²	44	50.7 Å²	50.7	29%	0.286	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	160.8	174.8	26.4	-34	0	0	0	111.7	M78 E81 T82 D83 R122	M78-P149 HydrophobicContact CE-CB 4.17Å; M78-P149 HydrophobicContact CE-CG 4.27Å; E81-P149 HydrophobicContact CB-CB 4.33Å; E81-P149 HydrophobicContact CG-CB 4.3Å; T82-P149 CarbonylContact O-C 3.55Å; T82-P149 VanDerWaalsContact O-CA 3.25Å; T82-P149 WeakPolarHBondContact O-CA 2.85Å; D83-P149 HydrophobicContact CB-CB 4.13Å; R122-P149 PolarHBondContact NE-O 2.96Å; R122-P149 PolarHBondContact NH2-O 3.49Å; R122-P149 VanDerWaalsContact NH2-O 3.11Å
150	V	97.4	Very high	96.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.9	169	69.7	0	0	0	0	109.1	L73 E81 T82 L108 I120 M146 V156	L73-V150 HydrophobicContact CD1-CG1 4Å; L73-V150 HydrophobicContact CD2-CG1 4.23Å; E81-V150 CarbonylContact C-O 3.59Å; E81-V150 WeakPolarHBondContact CA-O 3.49Å; E81-V150 WeakPolarHBondContact CB-O 3.38Å; T82-V150 HydrophobicContact CG2-CG1 4.11Å; T82-V150 PolarHBondContact N-O 3.28Å; T82-V150 PolarHBondContact O-N 3.28Å; L108-V150 HydrophobicContact CD2-CB 4.3Å; L108-V150 HydrophobicContact CD2-CG1 3.89Å; L108-V150 HydrophobicContact CD2-CG2 4.4Å; I120-V150 HydrophobicContact CD1-CG2 3.77Å; I120-V150 HydrophobicContact CG2-CG2 4.07Å; M146-V150 HydrophobicContact CE-CB 4.33Å; M146-V150 HydrophobicContact CE-CG1 3.9Å; V150-V156 HydrophobicContact CB-CG1 4.49Å; V150-V156 HydrophobicContact CG1-CG1 3.91Å; V150-V156 HydrophobicContact CG2-CB 4.47Å; V150-V156 HydrophobicContact CG2-CG1 3.74Å
151	K	96.4	Very high	96.2	Very high	147 Å²	147	51.7 Å²	51.7	64%	0.639	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.7	175.5	-66.4	-176.5	179.2	-179.5	0	110	N80 E81	N80-K151 WeakPolarHBondContact O-CA 3.43Å; E81-K151 HydrophobicContact CB-CG 4.3Å
152	F	95.7	Very high	95.8	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.075	26%	0.263	C	S	.	.			trans	-72.6	143.7	177.3	-54.4	-25.8	0	0	0	111.5	N80 E81 T82 V156 P158	N80-F152 PolarHBondContact O-N 3.08Å; E81-F152 VanDerWaalsContact C-CZ 3.44Å; E81-F152 WeakPolarHBondContact O-CZ 3.45Å; T82-F152 HydrophobicContact CG2-CE1 3.7Å; T82-F152 HydrophobicContact CG2-CZ 4.18Å; F152-V156 CarbonylContact C-O 3.5Å; F152-V156 WeakPolarHBondContact CA-O 3.37Å; F152-P158 HydrophobicContact CD2-CG 4.39Å; F152-P158 HydrophobicContact CE1-CB 4.44Å; F152-P158 HydrophobicContact CE1-CG 4Å; F152-P158 HydrophobicContact CE2-CG 3.71Å; F152-P158 HydrophobicContact CZ-CB 4.19Å; F152-P158 HydrophobicContact CZ-CG 3.5Å
153	S	94.5	Very high	95.1	Very high	28 Å²	28	60.7 Å²	60.7	20%	0.196	30%	0.304	C	S	.	.			trans	-149	-176.3	-178.6	74.7	0	0	0	0	110.1	Q20 Y155 V156	Q20-S153 PolarHBondContact NE2-O 3.46Å; Q20-S153 PolarHBondContact OE1-O 3.29Å; S153-Y155 PolarHBondContact O-N 2.83Å; S153-Y155 VanDerWaalsContact O-N 3.16Å; S153-Y155 WeakPolarHBondContact OG-CD1 3.34Å; S153-Y155 VanDerWaalsContact OG-CE1 3.24Å; S153-Y155 WeakPolarHBondContact OG-CE1 3.35Å; S153-Y155 PolarHBondContact OG-N 2.77Å; S153-V156 PolarHBondContact N-O 3.46Å; S153-V156 VanDerWaalsContact O-O 3.14Å; S153-V156 PolarHBondContact OG-N 3.41Å; S153-V156 VanDerWaalsContact OG-N 3.12Å
154	S	92.6	Very high	94.2	Very high	64 Å²	64	61 Å²	61	45%	0.448	33%	0.326	S	S	.	.	S	Bend	trans	-64	-14.5	173.9	52	0	0	0	0	114.3
155	Y	93.1	Very high	93.2	Very high	82 Å²	82	69.5 Å²	69.5	32%	0.322	37%	0.366	S	S	.	.	S	Bend	trans	-125.3	-5.1	-176.2	57.1	-85.3	0	0	0	114.3	H50 P53 I120 S153	H50-Y155 WeakPolarHBondContact ND1-CB 3.39Å; P53-Y155 VanDerWaalsContact CB-C 3.49Å; P53-Y155 WeakPolarHBondContact CB-O 3.14Å; I120-Y155 HydrophobicContact CD1-CE2 4.1Å; S153-Y155 PolarHBondContact O-N 2.83Å; S153-Y155 VanDerWaalsContact O-N 3.16Å; S153-Y155 WeakPolarHBondContact OG-CD1 3.34Å; S153-Y155 VanDerWaalsContact OG-CE1 3.24Å; S153-Y155 WeakPolarHBondContact OG-CE1 3.35Å; S153-Y155 PolarHBondContact OG-N 2.77Å
156	V	95.6	Very high	92.2	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.38	C	S	.	.			trans	-135.3	116	170.2	-179.6	0	0	0	0	109.7	P53 L73 L108 I120 V150 F152 S153	P53-V156 WeakPolarHBondContact O-CA 3.23Å; L73-V156 HydrophobicContact CD1-CG1 3.42Å; L73-V156 VanDerWaalsContact CD1-CG1 3.42Å; L108-V156 HydrophobicContact CB-CG2 4.3Å; L108-V156 HydrophobicContact CD2-CG1 4.41Å; I120-V156 HydrophobicContact CD1-CG2 3.99Å; V150-V156 HydrophobicContact CB-CG1 4.49Å; V150-V156 HydrophobicContact CG1-CG1 3.91Å; V150-V156 HydrophobicContact CG2-CB 4.47Å; V150-V156 HydrophobicContact CG2-CG1 3.74Å; F152-V156 CarbonylContact C-O 3.5Å; F152-V156 WeakPolarHBondContact CA-O 3.37Å; S153-V156 PolarHBondContact N-O 3.46Å; S153-V156 VanDerWaalsContact O-O 3.14Å; S153-V156 PolarHBondContact OG-N 3.41Å; S153-V156 VanDerWaalsContact OG-N 3.12Å
157	S	96.2	Very high	91.1	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.401	C	S	.	.			trans	-160.9	154.3	176.8	68.5	0	0	0	0	110.4	Q20 P53 W54	Q20-S157 VanDerWaalsContact NE2-CB 3.3Å; Q20-S157 PolarHBondContact NE2-OG 3.22Å; Q20-S157 VanDerWaalsContact NE2-OG 3.17Å; P53-S157 CarbonylContact C-O 3.48Å; P53-S157 VanDerWaalsContact C-O 3.29Å; P53-S157 WeakPolarHBondContact CG-OG 3.46Å; P53-S157 PolarHBondContact O-N 2.03Å; P53-S157 VanDerWaalsContact O-N 3.09Å; W54-S157 WeakPolarHBondContact CA-O 3.37Å; W54-S157 VanDerWaalsContact CB-O 3.29Å; W54-S157 WeakPolarHBondContact CB-O 3.48Å; W54-S157 PolarHBondContact N-O 2.9Å; W54-S157 VanDerWaalsContact N-O 3.1Å
158	P	97.4	Very high	90.2	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-80.8	159.8	-168.5	33.3	-33.9	0	0	0	112.7	C22 G23 L73 E75 F152	C22-P158 WeakPolarHBondContact CA-O 3.45Å; C22-P158 HydrophobicContact CB-CG 4.09Å; G23-P158 PolarHBondContact N-O 2.83Å; L73-P158 HydrophobicContact CB-CB 4.35Å; E75-P158 HydrophobicContact CG-CB 3.82Å; E75-P158 HydrophobicContact CG-CG 3.38Å; F152-P158 HydrophobicContact CD2-CG 4.39Å; F152-P158 HydrophobicContact CE1-CB 4.44Å; F152-P158 HydrophobicContact CE1-CG 4Å; F152-P158 HydrophobicContact CE2-CG 3.71Å; F152-P158 HydrophobicContact CZ-CB 4.19Å; F152-P158 HydrophobicContact CZ-CG 3.5Å
159	L	95.4	Very high	89.5	Confident	55 Å²	55	71.9 Å²	71.9	29%	0.288	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-83.4	146.9	164.1	-164.2	82.9	0	0	0	109.4	W54 F72 L73	W54-L159 HydrophobicContact CB-CB 4.13Å; W54-L159 HydrophobicContact CD2-CB 4.39Å; W54-L159 HydrophobicContact CD2-CD1 3.71Å; W54-L159 HydrophobicContact CE3-CD1 4.14Å; W54-L159 HydrophobicContact CG-CB 4.11Å; W54-L159 HydrophobicContact CG-CD1 4.06Å; W54-L159 HydrophobicContact CH2-CD1 4.4Å; W54-L159 HydrophobicContact CZ2-CD1 4Å; W54-L159 HydrophobicContact CZ3-CD1 4.47Å; F72-L159 HydrophobicContact CD2-CB 4.39Å; F72-L159 HydrophobicContact CD2-CD2 4.11Å; F72-L159 HydrophobicContact CE2-CD2 4.27Å; L73-L159 PolarHBondContact O-N 3.11Å
160	C	93.4	Very high	88.8	Confident	55 Å²	55	74.5 Å²	74.5	37%	0.372	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-73.9	136.7	168.5	-56.8	0	0	0	0	109.9	C22	C22-C160 HydrophobicContact CB-CB 3.99Å; C22-C160 WeakPolarHBondContact CB-SG 3.39Å; C22-C160 PolarHBondContact O-SG 3.37Å; C22-C160 WeakPolarHBondContact SG-CA 2.9Å; C22-C160 WeakPolarHBondContact SG-CB 3.29Å; C22-C160 CovalentContact SG-SG 2.05Å; C22-C160 PolarHBondContact SG-SG 3.37Å
161	L	91.2	Very high	87.8	Confident	89 Å²	89	80.5 Å²	80.5	47%	0.466	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-74.4	147.6	161	-66	-179.8	0	0	0	109	I74 L86 E163	I74-L161 HydrophobicContact CD1-CD1 4.28Å; I74-L161 HydrophobicContact CG2-CD2 3.9Å; I74-L161 HydrophobicContact CG2-CG 4.31Å; L86-L161 HydrophobicContact CD1-CD2 3.99Å; L161-E163 PolarHBondContact O-N 2.66Å
162	P	86.8	Confident	87.1	Confident	93 Å²	93	79.1 Å²	79.1	60%	0.604	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-61.7	135.9	172.3	26.3	-32.9	0	0	0	110.2
163	E	83.1	Confident	86.3	Confident	188 Å²	188	84.7 Å²	84.7	88%	0.879	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-93.4	130.1	173.3	-66.7	-179.2	-173.5	0	0	109.8	L161	L161-E163 PolarHBondContact O-N 2.66Å
164	G	79.9	Confident	85.8	Confident	81 Å²	81	84.5 Å²	84.5	84%	0.835	46%	0.455	S	S	*	.	S	Bend	trans	73	-128.7	175.1	0	0	0	0	0	113.7
165	E	78	Confident	85.4	Confident	180 Å²	180	87 Å²	87	84%	0.841	46%	0.458	S	S	*	.	S	Bend	trans	-74.2	138.4	-178.1	-68.4	-177.3	-177.2	0	0	111.4	P167	E165-P167 WeakPolarHBondContact O-CD 3.4Å
166	I	76	Confident	85.1	Confident	127 Å²	127	85.1 Å²	85.1	65%	0.651	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-61.2	121.4	174.6	-60.8	170.5	0	0	0	107.4	D168	I166-D168 PolarHBondContact O-N 3.26Å
167	P	75.8	Confident	84.8	Confident	71 Å²	71	86.8 Å²	86.8	46%	0.461	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-59.8	143	179.7	23.2	-32.1	0	0	0	110	E165 L169	E165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-L169 HydrophobicContact CB-CD2 4.35Å; P167-L169 HydrophobicContact CG-CD2 4.25Å; P167-L169 HydrophobicContact CG-CG 4.28Å; P167-L169 PolarHBondContact O-N 3.34Å
168	D	80.7	Confident	84.4	Confident	106 Å²	106	87.8 Å²	87.8	57%	0.567	48%	0.484	S	S	*	.			trans	-67.9	104.7	170	-177.6	15	0	0	0	109.6	I166 E170	I166-D168 PolarHBondContact O-N 3.26Å; D168-E170 WeakPolarHBondContact OD1-CB 3.4Å; D168-E170 PolarHBondContact OD1-N 2.71Å
169	L	81.5	Confident	84	Confident	81 Å²	81	89 Å²	89	42%	0.424	49%	0.488	S	S	.	.			trans	-98.4	7.2	177.7	-61.9	-179.8	0	0	0	112.1	P167 N171 K172 C199	P167-L169 HydrophobicContact CB-CD2 4.35Å; P167-L169 HydrophobicContact CG-CD2 4.25Å; P167-L169 HydrophobicContact CG-CG 4.28Å; P167-L169 PolarHBondContact O-N 3.34Å; L169-N171 PolarHBondContact O-N 3.15Å; L169-K172 HydrophobicContact CD2-CG 4.49Å; L169-K172 VanDerWaalsContact O-CB 3.3Å; L169-K172 WeakPolarHBondContact O-CB 3.41Å; L169-K172 WeakPolarHBondContact O-CG 3.34Å; L169-K172 PolarHBondContact O-N 3.45Å; L169-C199 HydrophobicContact CB-CB 3.86Å; L169-C199 WeakPolarHBondContact O-CB 3.36Å
170	E	83.2	Confident	83	Confident	100 Å²	100	87.6 Å²	87.6	47%	0.467	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.6	-179.9	-165.4	173.3	178	0	0	110.7	D168 K172	D168-E170 WeakPolarHBondContact OD1-CB 3.4Å; D168-E170 PolarHBondContact OD1-N 2.71Å; E170-K172 PolarHBondContact O-N 3.28Å
171	N	77.6	Confident	81.4	Confident	127 Å²	127	93.3 Å²	93.3	68%	0.679	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.1	-176.5	-59.6	-54.8	0	0	0	114.7	L169 C199	L169-N171 PolarHBondContact O-N 3.15Å; N171-C199 PolarHBondContact N-O 3.33Å
172	K	80.8	Confident	79.7	Confident	117 Å²	117	90.8 Å²	90.8	51%	0.509	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	153	173.4	-57.4	-60.2	-179	-176.7	0	110.7	L169 E170 I198 C199	L169-K172 HydrophobicContact CD2-CG 4.49Å; L169-K172 VanDerWaalsContact O-CB 3.3Å; L169-K172 WeakPolarHBondContact O-CB 3.41Å; L169-K172 WeakPolarHBondContact O-CG 3.34Å; L169-K172 PolarHBondContact O-N 3.45Å; E170-K172 PolarHBondContact O-N 3.28Å; K172-I198 WeakPolarHBondContact O-CA 3.41Å; K172-C199 PolarHBondContact O-N 3.38Å
173	K	79.6	Confident	78	Confident	135 Å²	135	90.2 Å²	90.2	59%	0.587	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.1	172.1	-78.2	177.5	-174.2	169.3	0	109.6	L196	K173-L196 HydrophobicContact CB-CD1 4.04Å; K173-L196 HydrophobicContact CG-CD1 4.34Å
174	C	84.3	Confident	76.4	Confident	24 Å²	24	89.6 Å²	89.6	16%	0.162	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	163.7	178.3	-69.5	0	0	0	0	110.4	L196 L197 C199	C174-L196 WeakPolarHBondContact O-CD1 3.4Å; C174-L197 PolarHBondContact N-O 2.84Å; C174-L197 PolarHBondContact O-N 3.23Å; C174-L197 VanDerWaalsContact O-O 3.07Å; C174-C199 HydrophobicContact CB-CB 4.02Å; C174-C199 WeakPolarHBondContact CB-SG 3.5Å; C174-C199 WeakPolarHBondContact SG-CB 3.4Å; C174-C199 CovalentContact SG-SG 2Å; C174-C199 PolarHBondContact SG-SG 3.42Å
175	F	83.8	Confident	75	Confident	117 Å²	117	93.2 Å²	93.2	51%	0.513	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.2	176.9	-57.8	-98	0	0	0	109.8	W45 L194 L195 L196	W45-F175 AromaticContact CH2-CD1 3.78Å; W45-F175 HydrophobicContact CH2-CD1 3.78Å; W45-F175 AromaticContact CH2-CE1 3.56Å; W45-F175 HydrophobicContact CH2-CE1 3.56Å; W45-F175 HydrophobicContact CZ2-CD1 4.05Å; W45-F175 AromaticContact CZ2-CE1 3.78Å; W45-F175 HydrophobicContact CZ2-CE1 3.78Å; F175-L194 HydrophobicContact CB-CD2 4.07Å; F175-L195 CarbonylContact C-O 3.5Å; F175-L195 WeakPolarHBondContact CA-O 3.25Å; F175-L196 HydrophobicContact CD1-CB 4.31Å; F175-L196 HydrophobicContact CD1-CD1 3.78Å; F175-L196 HydrophobicContact CD2-CD1 4.38Å; F175-L196 HydrophobicContact CE1-CB 4.27Å; F175-L196 HydrophobicContact CE1-CD1 3.37Å; F175-L196 HydrophobicContact CE1-CG 4.4Å; F175-L196 HydrophobicContact CE2-CD1 4Å; F175-L196 HydrophobicContact CG-CD1 4.28Å; F175-L196 HydrophobicContact CZ-CD1 3.48Å; F175-L196 VanDerWaalsContact CZ-CD1 3.48Å
176	A	86	Confident	73.6	Confident	42 Å²	42	89 Å²	89	35%	0.347	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	147.5	162.3	0	0	0	0	0	108.9	L194 L195 L197	A176-L194 WeakPolarHBondContact O-CA 2.96Å; A176-L195 HydrophobicContact CB-CB 4.48Å; A176-L195 PolarHBondContact N-O 3.36Å; A176-L195 PolarHBondContact O-N 3.27Å; A176-L197 HydrophobicContact CB-CD1 3.66Å; A176-L197 HydrophobicContact CB-CG 4.44Å
177	A	89.7	Confident	72.5	Confident	35 Å²	35	90.4 Å²	90.4	29%	0.289	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.8	176.2	0	0	0	0	0	110.6	L52 M55 L192 C193 L194	L52-A177 HydrophobicContact CD1-CB 3.55Å; M55-A177 HydrophobicContact CE-CB 4.07Å; M55-A177 WeakPolarHBondContact CE-O 3.43Å; M55-A177 HydrophobicContact SD-CB 4.09Å; A177-L192 HydrophobicContact CB-CD1 4.39Å; A177-C193 VanDerWaalsContact CA-O 3.25Å; A177-C193 WeakPolarHBondContact CA-O 2.97Å; A177-L194 HydrophobicContact CB-CD2 4.1Å
178	G	88.9	Confident	71.7	Confident	21 Å²	21	91.1 Å²	91.1	22%	0.216	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	171	175.9	0	0	0	0	0	113.5	C193	G178-C193 PolarHBondContact N-O 2.84Å; G178-C193 PolarHBondContact O-N 2.93Å; G178-C193 VanDerWaalsContact O-N 3.08Å
179	W	87.4	Confident	70.9	Confident	26 Å²	26	87.3 Å²	87.3	10%	0.098	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120	168.1	-57.4	-89.5	0	0	0	107.5	M55 A110 H111 L113 H190 L192	M55-W179 HydrophobicContact CB-CH2 3.53Å; M55-W179 HydrophobicContact CB-CZ2 4.44Å; M55-W179 HydrophobicContact CB-CZ3 4.04Å; M55-W179 HydrophobicContact CE-CZ3 4.06Å; A110-W179 HydrophobicContact CB-CZ2 4.34Å; A110-W179 WeakPolarHBondContact O-CZ2 3.34Å; H111-W179 PolarHBondContact O-NE1 2.82Å; L113-W179 HydrophobicContact CD1-CB 3.56Å; L113-W179 HydrophobicContact CD1-CD2 4.1Å; L113-W179 HydrophobicContact CD1-CG 3.5Å; L113-W179 HydrophobicContact CD2-CD2 4.48Å; L113-W179 HydrophobicContact CG-CB 4.39Å; L113-W179 HydrophobicContact CG-CD2 4.33Å; L113-W179 HydrophobicContact CG-CG 3.86Å; W179-H190 VanDerWaalsContact CD1-O 3.26Å; W179-L192 HydrophobicContact CD2-CD1 3.96Å; W179-L192 HydrophobicContact CE3-CD1 4.19Å; W179-L192 HydrophobicContact CH2-CD1 4.14Å; W179-L192 HydrophobicContact CZ2-CB 4.12Å; W179-L192 HydrophobicContact CZ2-CD1 3.86Å; W179-L192 HydrophobicContact CZ2-CD2 4.06Å; W179-L192 HydrophobicContact CZ2-CG 4.24Å; W179-L192 HydrophobicContact CZ3-CD1 4.28Å
180	G	75	Confident	70.7	Confident	25 Å²	25	87.4 Å²	87.4	26%	0.258	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-179.1	-165.4	0	0	0	0	0	114.1	T182 S189	G180-T182 PolarHBondContact O-N 2.88Å; G180-S189 PolarHBondContact N-O 3.26Å; G180-S189 VanDerWaalsContact O-CB 3.31Å; G180-S189 WeakPolarHBondContact O-CB 3.23Å; G180-S189 PolarHBondContact O-N 3.27Å
181	R	59.5	Low	70.5	Confident	174 Å²	174	83.5 Å²	83.5	66%	0.657	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	116.5	175.2	-68	-174.3	-175.8	-179.1	0.9	109.5	E183 I188	R181-E183 VanDerWaalsContact C-N 3.3Å; R181-I188 HydrophobicContact CG-CG1 4.2Å
182	T	55.4	Low	70.5	Confident	36 Å²	36	77.8 Å²	77.8	22%	0.221	39%	0.391	C	S	.	.	S	Bend	trans	-81.1	-14.6	169.5	49.9	0	0	0	0	111.7	V42 G180 C193	V42-T182 VanDerWaalsContact CA-O 3.28Å; V42-T182 WeakPolarHBondContact CA-O 3.31Å; G180-T182 PolarHBondContact O-N 2.88Å; T182-C193 HydrophobicContact CG2-CB 4.05Å
183	E	51.3	Low	70.5	Confident	81 Å²	81	73 Å²	73	38%	0.379	37%	0.372	S	S	.	.	S	Bend	trans	-141.4	156	-179.8	-40.3	-163.2	168.6	0	0	111.5	V42 R181 D185 L186	V42-E183 HydrophobicContact CG1-CB 3.95Å; V42-E183 HydrophobicContact CG1-CG 3.82Å; R181-E183 VanDerWaalsContact C-N 3.3Å; E183-D185 PolarHBondContact O-N 2.85Å; E183-L186 HydrophobicContact CB-CB 4.03Å; E183-L186 HydrophobicContact CB-CD1 4.25Å; E183-L186 HydrophobicContact CB-CG 4.06Å; E183-L186 HydrophobicContact CG-CB 4.25Å; E183-L186 HydrophobicContact CG-CD1 3.73Å; E183-L186 HydrophobicContact CG-CG 4.11Å; E183-L186 WeakPolarHBondContact OE2-CD1 3.41Å; E183-L186 WeakPolarHBondContact OE2-CG 3.28Å
184	R	49.8	Very low	70.2	Confident	176 Å²	176	67 Å²	67	66%	0.664	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.6	-178.9	-82	-173.6	-92.2	179.7	-5.4	113.1
185	D	50	Low	69.5	Low	156 Å²	156	67 Å²	67	83%	0.834	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	16.1	-170	-56	-53.8	0	0	0	114.2	E183	E183-D185 PolarHBondContact O-N 2.85Å
186	L	48.7	Very low	68.8	Low	93 Å²	93	62.5 Å²	62.5	49%	0.487	33%	0.326	S	S	.	.	S	Bend	trans	-113.3	162.5	176.7	-70.4	-171.2	0	0	0	113.8	E183	E183-L186 HydrophobicContact CB-CB 4.03Å; E183-L186 HydrophobicContact CB-CD1 4.25Å; E183-L186 HydrophobicContact CB-CG 4.06Å; E183-L186 HydrophobicContact CG-CB 4.25Å; E183-L186 HydrophobicContact CG-CD1 3.73Å; E183-L186 HydrophobicContact CG-CG 4.11Å; E183-L186 WeakPolarHBondContact OE2-CD1 3.41Å; E183-L186 WeakPolarHBondContact OE2-CG 3.28Å
187	L	54	Low	67.9	Low	156 Å²	156	63.3 Å²	63.3	82%	0.817	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-53.1	149.9	175.5	-63.1	173.5	0	0	0	111.3	S189	L187-S189 PolarHBondContact O-N 3.15Å
188	I	59.5	Low	66.9	Low	86 Å²	86	64.9 Å²	64.9	44%	0.441	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	126.4	172.4	-61.7	173.4	0	0	0	107.4	R181 H190	R181-I188 HydrophobicContact CG-CG1 4.2Å; I188-H190 PolarHBondContact O-CD2 3.07Å; I188-H190 PolarHBondContact O-N 2.94Å
189	S	62.2	Low	66.1	Low	26 Å²	26	65.5 Å²	65.5	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.8	170.1	-179.2	0	0	0	0	108.7	G180 L187 S191 C193	G180-S189 PolarHBondContact N-O 3.26Å; G180-S189 VanDerWaalsContact O-CB 3.31Å; G180-S189 WeakPolarHBondContact O-CB 3.23Å; G180-S189 PolarHBondContact O-N 3.27Å; L187-S189 PolarHBondContact O-N 3.15Å; S189-S191 VanDerWaalsContact C-N 3.28Å; S189-S191 PolarHBondContact OG-N 2.96Å; S189-S191 PolarHBondContact OG-O 2.83Å; S189-C193 PolarHBondContact OG-SG 2.91Å
190	H	77.1	Confident	65.4	Low	83 Å²	83	68.4 Å²	68.4	38%	0.384	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-16.7	173.3	-66.9	-160.6	0	0	0	111.3	N112 L113 D114 W179 I188	N112-H190 CarbonylContact C-O 3.49Å; N112-H190 WeakPolarHBondContact CA-O 3.46Å; L113-H190 PolarHBondContact N-O 3.29Å; D114-H190 IonicContact OD1-CE1 2.88Å; D114-H190 PolarHBondContact OD1-CE1 3.17Å; D114-H190 IonicContact OD1-CG 3.99Å; D114-H190 IonicContact OD1-ND1 3.46Å; D114-H190 PolarHBondContact OD1-ND1 2.86Å; D114-H190 WeakPolarHBondContact OD2-CB 3.43Å; D114-H190 IonicContact OD2-CE1 3.82Å; D114-H190 IonicContact OD2-CG 2.71Å; D114-H190 IonicContact OD2-ND1 3.45Å; D114-H190 PolarHBondContact OD2-ND1 2.85Å; W179-H190 VanDerWaalsContact CD1-O 3.26Å; I188-H190 PolarHBondContact O-CD2 3.07Å; I188-H190 PolarHBondContact O-N 2.94Å
191	S	81	Confident	64.8	Low	18 Å²	18	74.5 Å²	74.5	13%	0.126	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	146.3	168.4	-74	0	0	0	0	112	E46 H111 S189 C193	E46-S191 WeakPolarHBondContact OE1-CB 3.25Å; E46-S191 PolarHBondContact OE1-OG 3.38Å; H111-S191 CarbonylContact O-C 3.59Å; H111-S191 WeakPolarHBondContact O-CA 3.44Å; S189-S191 VanDerWaalsContact C-N 3.28Å; S189-S191 PolarHBondContact OG-N 2.96Å; S189-S191 PolarHBondContact OG-O 2.83Å; S191-C193 PolarHBondContact O-N 2.96Å
192	L	77.5	Confident	64.6	Low	6 Å²	6	74.4 Å²	74.4	3%	0.031	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121	174.6	-176.2	58.6	0	0	0	110.3	A47 L52 M55 H111 A177 W179	A47-L192 HydrophobicContact CB-CG 4.25Å; A47-L192 WeakPolarHBondContact CB-O 3.48Å; A47-L192 PolarHBondContact N-O 3.04Å; L52-L192 HydrophobicContact CB-CD2 4Å; L52-L192 HydrophobicContact CD1-CD2 3.89Å; L52-L192 HydrophobicContact CD1-CG 4.27Å; L52-L192 HydrophobicContact CG-CD2 4.5Å; M55-L192 HydrophobicContact CB-CD2 4.31Å; M55-L192 HydrophobicContact CE-CD1 4.17Å; M55-L192 HydrophobicContact CG-CD1 4.42Å; M55-L192 HydrophobicContact CG-CD2 4.09Å; H111-L192 PolarHBondContact O-N 2.77Å; A177-L192 HydrophobicContact CB-CD1 4.39Å; W179-L192 HydrophobicContact CD2-CD1 3.96Å; W179-L192 HydrophobicContact CE3-CD1 4.19Å; W179-L192 HydrophobicContact CH2-CD1 4.14Å; W179-L192 HydrophobicContact CZ2-CB 4.12Å; W179-L192 HydrophobicContact CZ2-CD1 3.86Å; W179-L192 HydrophobicContact CZ2-CD2 4.06Å; W179-L192 HydrophobicContact CZ2-CG 4.24Å; W179-L192 HydrophobicContact CZ3-CD1 4.28Å
193	C	79.3	Confident	64	Low	18 Å²	18	81.9 Å²	81.9	12%	0.122	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150	178	-70.1	0	0	0	0	111.7	W45 A177 G178 T182 S189 S191	W45-C193 CarbonylContact O-C 3.52Å; W45-C193 WeakPolarHBondContact O-CA 3.46Å; A177-C193 VanDerWaalsContact CA-O 3.25Å; A177-C193 WeakPolarHBondContact CA-O 2.97Å; G178-C193 PolarHBondContact N-O 2.84Å; G178-C193 PolarHBondContact O-N 2.93Å; G178-C193 VanDerWaalsContact O-N 3.08Å; T182-C193 HydrophobicContact CG2-CB 4.05Å; S189-C193 PolarHBondContact OG-SG 2.91Å; S191-C193 PolarHBondContact O-N 2.96Å
194	L	74.6	Confident	63.3	Low	8 Å²	8	88.3 Å²	88.3	4%	0.042	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	168.7	-82.8	166.4	0	0	0	109.5	P29 G44 W45 A47 L52 F175 A176 A177	P29-L194 HydrophobicContact CB-CD1 4.23Å; G44-L194 CarbonylContact C-O 3.58Å; G44-L194 WeakPolarHBondContact CA-O 3.32Å; W45-L194 HydrophobicContact CD2-CB 4.26Å; W45-L194 HydrophobicContact CH2-CB 4.4Å; W45-L194 HydrophobicContact CZ2-CB 3.86Å; W45-L194 HydrophobicContact CZ2-CD1 4.3Å; W45-L194 PolarHBondContact N-O 3.48Å; W45-L194 PolarHBondContact O-N 3.18Å; A47-L194 HydrophobicContact CB-CD1 3.99Å; A47-L194 HydrophobicContact CB-CG 4.05Å; L52-L194 HydrophobicContact CD1-CD1 4.36Å; L52-L194 HydrophobicContact CD1-CD2 3.65Å; L52-L194 HydrophobicContact CD1-CG 3.87Å; L52-L194 HydrophobicContact CD2-CD2 4.3Å; F175-L194 HydrophobicContact CB-CD2 4.07Å; A176-L194 WeakPolarHBondContact O-CA 2.96Å; A177-L194 HydrophobicContact CB-CD2 4.1Å
195	L	68.5	Low	64	Low	25 Å²	25	84 Å²	84	13%	0.131	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	170.5	-178.6	71	0	0	0	109.2	F175 A176 L197	F175-L195 CarbonylContact C-O 3.5Å; F175-L195 WeakPolarHBondContact CA-O 3.25Å; A176-L195 HydrophobicContact CB-CB 4.48Å; A176-L195 PolarHBondContact N-O 3.36Å; A176-L195 PolarHBondContact O-N 3.27Å; L195-L197 HydrophobicContact CD2-CD2 3.56Å; L195-L197 HydrophobicContact CD2-CG 4.2Å; L195-L197 HydrophobicContact CG-CD2 4.06Å; L195-L197 HydrophobicContact CG-CG 4.41Å
196	L	69	Low	64.8	Low	21 Å²	21	80.2 Å²	80.2	11%	0.11	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.3	169.8	-174.7	75.8	0	0	0	110.2	L37 W45 K173 C174 F175	L37-L196 HydrophobicContact CD2-CD2 3.97Å; W45-L196 HydrophobicContact CH2-CB 3.94Å; W45-L196 HydrophobicContact CZ3-CB 3.99Å; K173-L196 HydrophobicContact CB-CD1 4.04Å; K173-L196 HydrophobicContact CG-CD1 4.34Å; C174-L196 WeakPolarHBondContact O-CD1 3.4Å; F175-L196 HydrophobicContact CD1-CB 4.31Å; F175-L196 HydrophobicContact CD1-CD1 3.78Å; F175-L196 HydrophobicContact CD2-CD1 4.38Å; F175-L196 HydrophobicContact CE1-CB 4.27Å; F175-L196 HydrophobicContact CE1-CD1 3.37Å; F175-L196 HydrophobicContact CE1-CG 4.4Å; F175-L196 HydrophobicContact CE2-CD1 4Å; F175-L196 HydrophobicContact CG-CD1 4.28Å; F175-L196 HydrophobicContact CZ-CD1 3.48Å; F175-L196 VanDerWaalsContact CZ-CD1 3.48Å
197	L	68	Low	65.7	Low	59 Å²	59	79.4 Å²	79.4	31%	0.309	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160.1	175.4	-61.3	175.9	0	0	0	110.1	C174 A176 L195	C174-L197 PolarHBondContact N-O 2.84Å; C174-L197 PolarHBondContact O-N 3.23Å; C174-L197 VanDerWaalsContact O-O 3.07Å; A176-L197 HydrophobicContact CB-CD1 3.66Å; A176-L197 HydrophobicContact CB-CG 4.44Å; L195-L197 HydrophobicContact CD2-CD2 3.56Å; L195-L197 HydrophobicContact CD2-CG 4.2Å; L195-L197 HydrophobicContact CG-CD2 4.06Å; L195-L197 HydrophobicContact CG-CG 4.41Å
198	I	68.3	Low	66.3	Low	69 Å²	69	74.9 Å²	74.9	35%	0.354	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.3	157.6	-63.1	-179.9	0	0	0	106.1	N39 K172 S200	N39-I198 WeakPolarHBondContact OD1-CG1 3.08Å; K172-I198 WeakPolarHBondContact O-CA 3.41Å; I198-S200 PolarHBondContact O-N 2.99Å
199	C	72.4	Confident	66.8	Low	33 Å²	33	74.3 Å²	74.3	22%	0.223	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	123.7	169.9	-89.3	0	0	0	0	108.9	L169 N171 K172 C174	L169-C199 HydrophobicContact CB-CB 3.86Å; L169-C199 WeakPolarHBondContact O-CB 3.36Å; N171-C199 PolarHBondContact N-O 3.33Å; K172-C199 PolarHBondContact O-N 3.38Å; C174-C199 HydrophobicContact CB-CB 4.02Å; C174-C199 WeakPolarHBondContact CB-SG 3.5Å; C174-C199 WeakPolarHBondContact SG-CB 3.4Å; C174-C199 CovalentContact SG-SG 2Å; C174-C199 PolarHBondContact SG-SG 3.42Å
200	S	71.8	Confident	67.1	Low	87 Å²	87	77.5 Å²	77.5	61%	0.608	38%	0.382	S	S	*	.			trans	-123.4	143.7	167.7	54	0	0	0	0	108.3	I198	I198-S200 PolarHBondContact O-N 2.99Å
201	R	62.6	Low	66.4	Low	154 Å²	154	77.1 Å²	77.1	58%	0.581	38%	0.382	S	S	*	.			trans	-79.9	119.9	168.2	-138.6	173.9	-173.2	168.2	0.8	107	Y203	R201-Y203 PolarHBondContact O-N 3.31Å
202	E	55.2	Low	65.2	Low	171 Å²	171	81.6 Å²	81.6	80%	0.799	40%	0.402	S	S	*	.			trans	-74.3	113.7	163.7	-78.2	179.3	175.3	0	0	107.1
203	Y	43.3	Very low	64.2	Low	194 Å²	194	87.9 Å²	87.9	76%	0.761	43%	0.433	S	S	*	.			trans	-80.6	115.8	162	-91.4	-88.2	0	0	0	107	R201	R201-Y203 PolarHBondContact O-N 3.31Å
204	N	37.5	Very low	62.8	Low	216 Å²	216	94.3 Å²	94.3	100%	1.155	46%	0.461	S	S	*	.			trans	-91.8	0	157.8	-77.6	-26.3	0	0	0	109.1

Retrieved 204 of 204 residues in 126.4 ms (Link to these results)

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