X5DQR8_HUMAN Loading...

Cell adhesion molecule 1

AlphaFold DB , UniProt , Accession X5DQR8, Species HUMAN (Homo sapiens, Human), Gene CADM1, Length 453 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	34	Very low	35.1	Very low	241 Å²	241	132.9 Å²	132.9	100%	1.187	83%	0.829	S	S	*	*				0	128.5	0	-75	-178.8	-161.3	0	0	107.9
2	A	35.4	Very low	34.8	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	84%	0.836	S	S	*	*			trans	57.4	147.3	161.9	0	0	0	0	0	118.5
3	S	32.9	Very low	34.9	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	84%	0.841	S	S	*	*			cis	-166.6	146.1	-17.8	-99.9	0	0	0	0	107.1
4	V	35.2	Very low	34.8	Very low	128 Å²	128	129.5 Å²	129.5	78%	0.776	84%	0.844	S	S	*	*			trans	-19.6	145.9	157.2	-174.1	0	0	0	0	116.9
5	V	34	Very low	34.9	Very low	136 Å²	136	128.1 Å²	128.1	82%	0.824	85%	0.847	S	S	*	*				170.5	123.1	117.3	164.2	0	0	0	0	111.8
6	L	33.8	Very low	34.8	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	85%	0.847	S	S	*	*			trans	-77.9	165.7	163.6	-94.7	162.8	0	0	0	110
7	P	46.3	Very low	34.7	Very low	110 Å²	110	124.9 Å²	124.9	71%	0.714	85%	0.846	S	S	*	*				-162.9	178.2	63.4	41.6	-17.5	0	0	0	120.5
8	S	32.4	Very low	34.7	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	84%	0.844	S	S	*	*			trans	78.3	115.5	144	65.5	0	0	0	0	120.8
9	G	34.2	Very low	34.8	Very low	82 Å²	82	122.2 Å²	122.2	85%	0.845	84%	0.843	S	S	*	*			trans	-148.6	120.9	159.6	0	0	0	0	0	109.3
10	S	32.4	Very low	34.8	Very low	101 Å²	101	120.9 Å²	120.9	71%	0.706	84%	0.841	S	S	*	*			trans	-91.6	152.5	-174.2	48.1	0	0	0	0	112.2
11	Q	34.9	Very low	35.2	Very low	186 Å²	186	121.2 Å²	121.2	87%	0.869	84%	0.84	S	S	*	*				163.4	121.2	117.1	-88	172.2	43.9	0	0	112
12	C	31.9	Very low	36.2	Very low	135 Å²	135	116 Å²	116	91%	0.912	83%	0.825	S	S	*	*			trans	-90.3	143.4	160	-69.4	0	0	0	0	109
13	A	36	Very low	36.2	Very low	109 Å²	109	114.9 Å²	114.9	90%	0.901	82%	0.822	S	S	*	*			trans	-116.8	121.9	162.9	0	0	0	0	0	109.2
14	A	33.8	Very low	36.3	Very low	107 Å²	107	117.2 Å²	117.2	88%	0.884	83%	0.825	S	S	*	*			trans	-99	144.4	171.9	0	0	0	0	0	109.4
15	A	35.4	Very low	36.7	Very low	108 Å²	108	121.7 Å²	121.7	89%	0.893	83%	0.828	S	S	*	*			trans	-134.2	122.2	161.4	0	0	0	0	0	108.6
16	A	34	Very low	36.7	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	83%	0.83	S	S	*	*			trans	-99.1	149.9	175.6	0	0	0	0	0	109.9
17	A	33.7	Very low	37.6	Very low	100 Å²	100	126.8 Å²	126.8	83%	0.826	83%	0.833	S	S	*	*			trans	176	134.6	130.9	0	0	0	0	0	114.1
18	A	34.8	Very low	37.3	Very low	99 Å²	99	128.4 Å²	128.4	82%	0.818	84%	0.835	S	S	*	*			trans	80.6	101	135.3	0	0	0	0	0	123
19	A	35	Very low	38	Very low	99 Å²	99	129.8 Å²	129.8	82%	0.818	83%	0.833	S	S	*	*			trans	13	123.3	133.6	0	0	0	0	0	124.3
20	A	35.7	Very low	38.3	Very low	97 Å²	97	132.1 Å²	132.1	80%	0.802	83%	0.825	S	S	*	*				45.7	142.9	128.8	0	0	0	0	0	122.5
21	P	42.8	Very low	39	Very low	127 Å²	127	134.9 Å²	134.9	83%	0.825	83%	0.831	S	S	*	*				-147.4	-177.5	75.4	38.2	-16.5	0	0	0	116.2
22	P	55.6	Low	39.3	Very low	133 Å²	133	132.6 Å²	132.6	86%	0.864	82%	0.824	S	S	*	*			trans	-111.7	162.4	-157.2	40.2	-30.4	0	0	0	116.5
23	G	35.2	Very low	39.8	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	82%	0.822	S	S	*	*			trans	-175	103.5	164	0	0	0	0	0	111
24	L	35.1	Very low	40	Very low	160 Å²	160	136 Å²	136	84%	0.838	82%	0.818	S	S	*	*				89.4	97.2	93.7	-152.1	80.2	0	0	0	114.4
25	R	43.3	Very low	40.6	Very low	223 Å²	223	135.3 Å²	135.3	84%	0.842	81%	0.812	S	S	*	*			trans	50.4	124.9	142.7	-58.3	-169.1	176.9	-146.8	-0.5	120.1
26	L	35.2	Very low	41.2	Very low	166 Å²	166	134.2 Å²	134.2	87%	0.869	80%	0.803	S	S	*	*				-170.2	129.9	97.8	-149.4	62.7	0	0	0	111.4
27	R	50.7	Low	41.7	Very low	230 Å²	230	133.3 Å²	133.3	87%	0.868	80%	0.796	S	S	*	*			trans	-80.2	132.4	164.7	-77.8	-172.6	170.4	-166.4	-2.2	108.5
28	L	41.3	Very low	42.2	Very low	144 Å²	144	136.3 Å²	136.3	75%	0.754	80%	0.797	S	S	*	*			trans	-143.8	107	154.1	-159.7	68.7	0	0	0	109.2	L30	L28-L30 HydrophobicContact CD2-CD1 3.77Å; L28-L30 HydrophobicContact CG-CD1 4.28Å
29	L	47.7	Very low	42.7	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	79%	0.793	S	S	*	*			trans	-72.1	122.2	160.7	-97.4	88.7	0	0	0	107.5
30	L	40.5	Very low	42.9	Very low	131 Å²	131	138.8 Å²	138.8	69%	0.686	79%	0.787	S	S	*	*			trans	-131.2	93.2	159.4	-98.6	155	0	0	0	107.5	L28 L32	L28-L30 HydrophobicContact CD2-CD1 3.77Å; L28-L30 HydrophobicContact CG-CD1 4.28Å; L30-L32 HydrophobicContact CD2-CD1 3.91Å; L30-L32 HydrophobicContact CD2-CG 4.4Å
31	L	46.7	Very low	43.6	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	79%	0.79	S	S	*	*			trans	-83.6	104.6	159.5	-90.3	158	0	0	0	106.9
32	L	40.8	Very low	43.8	Very low	137 Å²	137	137.5 Å²	137.5	72%	0.717	78%	0.779	S	S	*	*			trans	-139.1	104.4	163.5	-81.2	172.9	0	0	0	109.5	L30	L30-L32 HydrophobicContact CD2-CD1 3.91Å; L30-L32 HydrophobicContact CD2-CG 4.4Å
33	F	41.5	Very low	43.9	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.873	77%	0.771	S	S	*	*			trans	26.4	93.7	152.8	-73.1	-90.5	0	0	0	117.3	A35	F33-A35 PolarHBondContact O-N 3.23Å
34	S	42.1	Very low	45.5	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	75%	0.754	S	S	*	*			trans	-68.1	91.4	145.8	56.5	0	0	0	0	107.5	A36	S34-A36 PolarHBondContact O-N 3.41Å
35	A	44.8	Very low	47.5	Very low	92 Å²	92	129 Å²	129	76%	0.76	72%	0.718	S	S	*	*			trans	-60.5	98.1	152.1	0	0	0	0	0	105.3	F33 A37	F33-A35 PolarHBondContact O-N 3.23Å; A35-A37 PolarHBondContact O-N 2.97Å
36	A	48.2	Very low	49.6	Very low	86 Å²	86	122.7 Å²	122.7	71%	0.711	70%	0.701	S	S	*	*			trans	-57.2	102.8	158.4	0	0	0	0	0	104.6	S34 L38	S34-A36 PolarHBondContact O-N 3.41Å; A36-L38 PolarHBondContact O-N 3.44Å
37	A	44.8	Very low	52.4	Low	83 Å²	83	115.7 Å²	115.7	69%	0.686	66%	0.664	S	S	*	*			trans	-55.2	105.3	158.8	0	0	0	0	0	104.4	A35 I39	A35-A37 PolarHBondContact O-N 2.97Å; A37-I39 PolarHBondContact O-N 2.98Å
38	L	43.8	Very low	54.5	Low	163 Å²	163	108.6 Å²	108.6	85%	0.853	64%	0.64	S	S	*	*			trans	-54.7	95.9	155.9	-79.3	152.1	0	0	0	103.9	A36 P40	A36-L38 PolarHBondContact O-N 3.44Å; L38-P40 WeakPolarHBondContact O-CD 3.28Å
39	I	45.1	Very low	57.1	Low	142 Å²	142	103 Å²	103	73%	0.728	61%	0.612	S	S	*	*			trans	-58.4	113	162.7	-59.2	170.3	0	0	0	102.2	A37 T41	A37-I39 PolarHBondContact O-N 2.98Å; I39-T41 PolarHBondContact O-N 2.99Å
40	P	40.3	Very low	59.5	Low	108 Å²	108	103.7 Å²	103.7	70%	0.701	61%	0.609	S	S	*	*			trans	-59.4	116.9	169.9	26.1	-27.9	0	0	0	103.9	L38 G42	L38-P40 WeakPolarHBondContact O-CD 3.28Å; P40-G42 PolarHBondContact O-N 3.19Å
41	T	49.7	Very low	62.2	Low	140 Å²	140	102.8 Å²	102.8	86%	0.859	60%	0.604	S	S	*	*			trans	-66.6	72.9	157.6	51.2	0	0	0	0	104.8	I39 D43	I39-T41 PolarHBondContact O-N 2.99Å; T41-D43 PolarHBondContact O-N 2.82Å
42	G	46.7	Very low	64.7	Low	57 Å²	57	96.3 Å²	96.3	59%	0.588	57%	0.571	S	S	*	*			trans	-57.4	132.7	172	0	0	0	0	0	105.6	P40 G44	P40-G42 PolarHBondContact O-N 3.19Å; G42-G44 PolarHBondContact O-N 3.01Å
43	D	59.2	Low	67.4	Low	130 Å²	130	94.1 Å²	94.1	70%	0.695	56%	0.564	S	S	*	*			trans	-63.2	65	165	-92.6	-28.4	0	0	0	109.3	T41 K68	T41-D43 PolarHBondContact O-N 2.82Å; D43-K68 HydrophobicContact CB-CD 4.09Å; D43-K68 IonicContact OD1-NZ 2.69Å; D43-K68 PolarHBondContact OD1-NZ 3.17Å; D43-K68 IonicContact OD2-NZ 3.41Å; D43-K68 PolarHBondContact OD2-NZ 3.11Å
44	G	67.6	Low	70.1	Confident	38 Å²	38	85 Å²	85	39%	0.392	53%	0.525	S	S	.	.			trans	-69.5	156.1	178.7	0	0	0	0	0	110.6	G42 N46	G42-G44 PolarHBondContact O-N 3.01Å; G44-N46 PolarHBondContact O-ND2 3.19Å; G44-N46 VanDerWaalsContact O-ND2 3.14Å
45	Q	78	Confident	72.7	Confident	17 Å²	17	81.4 Å²	81.4	8%	0.079	50%	0.496	C	S	.	.			trans	-54.5	142	167.1	-77.7	178	88.6	0	0	109.9	V66 N67 K68 D70 S72 L126 T128 Q132	Q45-V66 HydrophobicContact CB-CG1 4.11Å; Q45-V66 HydrophobicContact CG-CG1 4.19Å; Q45-N67 WeakPolarHBondContact CA-O 3.33Å; Q45-K68 WeakPolarHBondContact CG-O 3.38Å; Q45-D70 VanDerWaalsContact CD-OD1 3.26Å; Q45-D70 PolarHBondContact NE2-OD1 2.92Å; Q45-D70 PolarHBondContact NE2-OD2 2.8Å; Q45-D70 PolarHBondContact OE1-OD1 2.87Å; Q45-S72 PolarHBondContact NE2-OG 3.06Å; Q45-S72 VanDerWaalsContact NE2-OG 3.16Å; Q45-L126 HydrophobicContact CB-CD2 4.08Å; Q45-T128 VanDerWaalsContact NE2-CG2 3.28Å; Q45-Q132 PolarHBondContact O-NE2 3.43Å; Q45-Q132 PolarHBondContact O-OE1 2.82Å; Q45-Q132 VanDerWaalsContact O-OE1 3.07Å
46	N	87.1	Confident	75.2	Confident	91 Å²	91	79.7 Å²	79.7	49%	0.487	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.7	175.9	-67.1	-69.7	0	0	0	109.5	G44 V66 N67	G44-N46 PolarHBondContact O-ND2 3.19Å; G44-N46 VanDerWaalsContact O-ND2 3.14Å; N46-V66 WeakPolarHBondContact O-CA 3.4Å; N46-N67 HydrophobicContact CB-CB 4.34Å; N46-N67 PolarHBondContact N-O 3.37Å; N46-N67 PolarHBondContact O-N 2.83Å
47	L	93.9	Very high	77.5	Confident	19 Å²	19	77.4 Å²	77.4	10%	0.099	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.1	172	-179.5	67.2	0	0	0	110.1	C64 Q65 V66 C124 L126 Q132	L47-C64 HydrophobicContact CD1-CB 4.31Å; L47-Q65 WeakPolarHBondContact CA-O 3.16Å; L47-V66 HydrophobicContact CD1-CG2 3.82Å; L47-C124 HydrophobicContact CD1-CB 4.2Å; L47-C124 HydrophobicContact CD2-CB 3.94Å; L47-C124 VanDerWaalsContact CD2-O 3.23Å; L47-C124 WeakPolarHBondContact CD2-O 3.26Å; L47-C124 HydrophobicContact CG-CB 4.39Å; L47-L126 HydrophobicContact CB-CB 4.38Å; L47-L126 HydrophobicContact CB-CD2 4.33Å; L47-L126 HydrophobicContact CD1-CB 4.46Å; L47-L126 HydrophobicContact CD2-CB 3.93Å; L47-L126 HydrophobicContact CG-CB 4.49Å; L47-Q132 HydrophobicContact CB-CB 4.4Å
48	F	95.3	Very high	80	Confident	81 Å²	81	78.4 Å²	78.4	36%	0.355	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157	176.2	67.6	-83.7	0	0	0	112.6	Q65 N67	F48-Q65 HydrophobicContact CD1-CB 4.02Å; F48-Q65 VanDerWaalsContact CD1-O 3.25Å; F48-Q65 WeakPolarHBondContact CD1-O 3.41Å; F48-Q65 HydrophobicContact CD2-CB 4.04Å; F48-Q65 HydrophobicContact CE1-CB 3.49Å; F48-Q65 VanDerWaalsContact CE1-CB 3.49Å; F48-Q65 HydrophobicContact CE2-CB 3.53Å; F48-Q65 HydrophobicContact CE2-CG 4.15Å; F48-Q65 HydrophobicContact CG-CB 4.28Å; F48-Q65 HydrophobicContact CZ-CB 3.23Å; F48-Q65 HydrophobicContact CZ-CG 4.13Å; F48-Q65 PolarHBondContact N-O 2.67Å; F48-Q65 PolarHBondContact O-N 2.95Å; F48-N67 HydrophobicContact CE1-CB 4.48Å
49	T	96.5	Very high	82.6	Confident	27 Å²	27	74.3 Å²	74.3	17%	0.166	43%	0.429	C	S	.	.			trans	-142.6	163.9	-172.6	43.6	0	0	0	0	108.6	C124 S134 Y135	T49-C124 HydrophobicContact CG2-CB 3.94Å; T49-C124 WeakPolarHBondContact CG2-SG 3.25Å; T49-S134 PolarHBondContact OG1-OG 3.01Å; T49-Y135 VanDerWaalsContact OG1-C 3.32Å; T49-Y135 PolarHBondContact OG1-O 3.1Å
50	K	96.9	Very high	85.1	Confident	161 Å²	161	67.6 Å²	67.6	70%	0.7	40%	0.395	S	S	*	.			trans	-135.4	134.1	174.8	-66.3	-177.4	-179.4	178.7	0	109.4	T136	K50-T136 PolarHBondContact O-OG1 2.88Å
51	D	98.1	Very high	87.9	Confident	111 Å²	111	65.1 Å²	65.1	59%	0.594	38%	0.378	S	S	*	.			trans	-56.5	146.9	175	-67.6	-29.1	0	0	0	111.5	T136 T137	D51-T136 WeakPolarHBondContact CA-OG1 2.89Å; D51-T137 WeakPolarHBondContact OD1-CB 3.22Å; D51-T137 PolarHBondContact OD1-N 2.79Å; D51-T137 PolarHBondContact OD1-OG1 2.86Å
52	V	98.1	Very high	90.2	Very high	23 Å²	23	58.5 Å²	58.5	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.7	-174.5	-178.5	0	0	0	0	108.4	A60 T61 T137 I138 T139	V52-A60 HydrophobicContact CG1-CB 4.01Å; V52-T61 WeakPolarHBondContact CG2-O 3.18Å; V52-T137 PolarHBondContact N-O 2.85Å; V52-I138 HydrophobicContact CB-CG1 4.36Å; V52-I138 CarbonylContact O-C 3.56Å; V52-I138 VanDerWaalsContact O-CA 3.32Å; V52-I138 WeakPolarHBondContact O-CA 3.06Å; V52-T139 PolarHBondContact O-N 3.33Å
53	T	98	Very high	92.6	Very high	92 Å²	92	56.9 Å²	56.9	56%	0.564	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.9	169	-52.4	0	0	0	0	108.6	T139 L141	T53-T139 WeakPolarHBondContact CA-O 2.88Å; T53-L141 HydrophobicContact CG2-CD1 3.47Å; T53-L141 VanDerWaalsContact CG2-CD1 3.47Å; T53-L141 HydrophobicContact CG2-CD2 3.87Å; T53-L141 HydrophobicContact CG2-CG 3.49Å; T53-L141 VanDerWaalsContact CG2-CG 3.49Å
54	V	97.9	Very high	94.5	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.8	-173.1	62.6	0	0	0	0	110.1	E58 A60 V114 I138 T139 V140 L141	V54-E58 HydrophobicContact CG2-CB 3.92Å; V54-A60 HydrophobicContact CB-CB 4.27Å; V54-A60 HydrophobicContact CG1-CB 4.12Å; V54-A60 HydrophobicContact CG2-CB 4.29Å; V54-V114 HydrophobicContact CG1-CB 4.2Å; V54-V114 HydrophobicContact CG1-CG1 3.69Å; V54-V114 HydrophobicContact CG1-CG2 4.2Å; V54-V114 HydrophobicContact CG2-CB 4.48Å; V54-V114 HydrophobicContact CG2-CG2 4.24Å; V54-I138 HydrophobicContact CG1-CG2 3.99Å; V54-T139 PolarHBondContact N-O 3.02Å; V54-V140 HydrophobicContact CG1-CG2 4.35Å; V54-V140 CarbonylContact O-C 3.58Å; V54-V140 WeakPolarHBondContact O-CA 3.3Å; V54-L141 PolarHBondContact O-N 3.27Å
55	I	97.3	Very high	95.9	Very high	40 Å²	40	52 Å²	52	21%	0.205	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.1	175.5	-53.9	175.9	0	0	0	108.9	G57 E58 L141 P143 A226	I55-G57 PolarHBondContact O-N 2.84Å; I55-E58 HydrophobicContact CB-CG 3.98Å; I55-E58 VanDerWaalsContact O-CB 3.28Å; I55-E58 WeakPolarHBondContact O-CB 3.48Å; I55-E58 PolarHBondContact O-N 3.08Å; I55-L141 WeakPolarHBondContact CA-O 3.49Å; I55-P143 HydrophobicContact CG2-CG 4.33Å; I55-A226 HydrophobicContact CD1-CB 3.79Å; I55-A226 WeakPolarHBondContact CD1-O 3.34Å; I55-A226 HydrophobicContact CG1-CB 3.71Å; I55-A226 HydrophobicContact CG2-CB 4.2Å
56	E	96.6	Very high	96.7	Very high	56 Å²	56	51.5 Å²	51.5	26%	0.262	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	133.9	175.3	-173.2	-167.5	-138.2	0	0	111.8	E58 V140 L141 V142 R145	E56-E58 VanDerWaalsContact C-N 3.26Å; E56-E58 PolarHBondContact O-N 2.83Å; E56-V140 HydrophobicContact CB-CG1 4.12Å; E56-L141 PolarHBondContact N-O 2.93Å; E56-V142 HydrophobicContact CB-CG2 4.23Å; E56-R145 IonicContact OE2-CZ 3.57Å; E56-R145 IonicContact OE2-NH2 3.47Å; E56-R145 PolarHBondContact OE2-NH2 3.15Å
57	G	96.4	Very high	97	Very high	39 Å²	39	51.5 Å²	51.5	40%	0.402	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-16	-176.5	0	0	0	0	0	114.3	I55 V114	I55-G57 PolarHBondContact O-N 2.84Å; G57-V114 PolarHBondContact N-O 2.67Å
58	E	97.5	Very high	96.7	Very high	103 Å²	103	55.3 Å²	55.3	48%	0.481	29%	0.294	S	S	.	.	S	Bend	trans	-81.9	-169.4	177.5	-59.8	-167.5	156.2	0	0	112.4	V54 I55 E56 N113 V114	V54-E58 HydrophobicContact CG2-CB 3.92Å; I55-E58 HydrophobicContact CB-CG 3.98Å; I55-E58 VanDerWaalsContact O-CB 3.28Å; I55-E58 WeakPolarHBondContact O-CB 3.48Å; I55-E58 PolarHBondContact O-N 3.08Å; E56-E58 VanDerWaalsContact C-N 3.26Å; E56-E58 PolarHBondContact O-N 2.83Å; E58-N113 PolarHBondContact O-N 2.74Å; E58-V114 WeakPolarHBondContact O-CG2 3.14Å; E58-V114 PolarHBondContact O-N 3.32Å
59	V	98.4	Very high	96.4	Very high	78 Å²	78	53.1 Å²	53.1	47%	0.473	29%	0.289	S	S	.	.			trans	-112	119.6	-175.7	-175.8	0	0	0	0	109.9	L111 T112	V59-L111 CarbonylContact C-O 3.44Å; V59-L111 WeakPolarHBondContact CA-O 3.32Å; V59-T112 HydrophobicContact CG1-CG2 4.18Å; V59-T112 HydrophobicContact CG2-CG2 4.09Å
60	A	98.4	Very high	96	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	145.8	170.2	0	0	0	0	0	110.6	V52 V54 S110 L111 V114 I138	V52-A60 HydrophobicContact CG1-CB 4.01Å; V54-A60 HydrophobicContact CB-CB 4.27Å; V54-A60 HydrophobicContact CG1-CB 4.12Å; V54-A60 HydrophobicContact CG2-CB 4.29Å; A60-S110 CarbonylContact O-C 3.51Å; A60-S110 VanDerWaalsContact O-CA 3.27Å; A60-S110 WeakPolarHBondContact O-CA 3.32Å; A60-L111 HydrophobicContact CB-CB 4.36Å; A60-L111 PolarHBondContact N-O 2.88Å; A60-L111 PolarHBondContact O-N 3.06Å; A60-V114 HydrophobicContact CB-CG2 3.77Å; A60-I138 HydrophobicContact CB-CD1 4.16Å
61	T	98.4	Very high	95.5	Very high	56 Å²	56	54.6 Å²	54.6	34%	0.344	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.6	174.5	-63.2	0	0	0	0	110.3	V52 L100 K108	V52-T61 WeakPolarHBondContact CG2-O 3.18Å; T61-L100 HydrophobicContact CG2-CD1 3.9Å; T61-K108 HydrophobicContact CG2-CD 4.27Å; T61-K108 HydrophobicContact CG2-CG 3.88Å
62	I	98.4	Very high	95.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.5	176.9	-56.9	163.3	0	0	0	108.3	L76 F97 K108 V109 Y122 T136 I138	I62-L76 HydrophobicContact CB-CD2 4.34Å; I62-L76 HydrophobicContact CD1-CD2 4.17Å; I62-L76 HydrophobicContact CG2-CD1 3.73Å; I62-L76 HydrophobicContact CG2-CD2 3.9Å; I62-L76 HydrophobicContact CG2-CG 4.5Å; I62-F97 HydrophobicContact CD1-CE1 4.27Å; I62-K108 CarbonylContact O-C 3.56Å; I62-K108 WeakPolarHBondContact O-CA 3.35Å; I62-V109 PolarHBondContact N-O 3.23Å; I62-V109 PolarHBondContact O-N 3.34Å; I62-Y122 HydrophobicContact CD1-CD1 3.72Å; I62-Y122 HydrophobicContact CD1-CE1 4.05Å; I62-Y122 HydrophobicContact CD1-CG 4.11Å; I62-T136 HydrophobicContact CG2-CG2 3.9Å; I62-I138 HydrophobicContact CD1-CD1 3.88Å; I62-I138 HydrophobicContact CG1-CD1 3.9Å
63	S	97.6	Very high	95	Very high	24 Å²	24	50.8 Å²	50.8	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.9	175.2	-177.9	0	0	0	0	110.9	Q65 E106	S63-Q65 VanDerWaalsContact OG-CG 3.3Å; S63-Q65 WeakPolarHBondContact OG-CG 3.43Å; S63-Q65 PolarHBondContact OG-NE2 3.34Å; S63-E106 PolarHBondContact OG-OE1 2.75Å
64	C	97.6	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.7	167.3	-51.3	0	0	0	0	107.5	L47 I74 E106 L107 C124	L47-C64 HydrophobicContact CD1-CB 4.31Å; C64-I74 HydrophobicContact CB-CG2 3.78Å; C64-E106 WeakPolarHBondContact O-CA 3.45Å; C64-L107 HydrophobicContact CB-CB 4.28Å; C64-L107 PolarHBondContact N-O 3.22Å; C64-L107 PolarHBondContact O-N 2.69Å; C64-C124 HydrophobicContact CB-CB 3.7Å; C64-C124 WeakPolarHBondContact CB-SG 3.44Å; C64-C124 WeakPolarHBondContact SG-CB 3.34Å; C64-C124 CovalentContact SG-SG 2.03Å; C64-C124 PolarHBondContact SG-SG 3.02Å
65	Q	96.7	Very high	94.9	Very high	65 Å²	65	46.7 Å²	46.7	30%	0.304	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.8	-177.9	-64.2	-172.5	-7.7	0	0	110.8	L47 F48 S63 S105 E106	L47-Q65 WeakPolarHBondContact CA-O 3.16Å; F48-Q65 HydrophobicContact CD1-CB 4.02Å; F48-Q65 VanDerWaalsContact CD1-O 3.25Å; F48-Q65 WeakPolarHBondContact CD1-O 3.41Å; F48-Q65 HydrophobicContact CD2-CB 4.04Å; F48-Q65 HydrophobicContact CE1-CB 3.49Å; F48-Q65 VanDerWaalsContact CE1-CB 3.49Å; F48-Q65 HydrophobicContact CE2-CB 3.53Å; F48-Q65 HydrophobicContact CE2-CG 4.15Å; F48-Q65 HydrophobicContact CG-CB 4.28Å; F48-Q65 HydrophobicContact CZ-CB 3.23Å; F48-Q65 HydrophobicContact CZ-CG 4.13Å; F48-Q65 PolarHBondContact N-O 2.67Å; F48-Q65 PolarHBondContact O-N 2.95Å; S63-Q65 VanDerWaalsContact OG-CG 3.3Å; S63-Q65 WeakPolarHBondContact OG-CG 3.43Å; S63-Q65 PolarHBondContact OG-NE2 3.34Å; Q65-S105 CarbonylContact C-O 3.55Å; Q65-S105 WeakPolarHBondContact CA-O 3.16Å; Q65-E106 HydrophobicContact CG-CG 4.13Å; Q65-E106 PolarHBondContact NE2-OE1 3.41Å
66	V	95.8	Very high	94.9	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.1	-178.1	-174.7	0	0	0	0	109.1	Q45 N46 L47 I74 S105 L126	Q45-V66 HydrophobicContact CB-CG1 4.11Å; Q45-V66 HydrophobicContact CG-CG1 4.19Å; N46-V66 WeakPolarHBondContact O-CA 3.4Å; L47-V66 HydrophobicContact CD1-CG2 3.82Å; V66-I74 HydrophobicContact CG2-CD1 3.71Å; V66-I74 HydrophobicContact CG2-CG1 4Å; V66-S105 PolarHBondContact N-O 2.94Å; V66-L126 HydrophobicContact CG1-CD1 4.46Å; V66-L126 HydrophobicContact CG1-CD2 3.81Å; V66-L126 HydrophobicContact CG2-CD1 3.85Å; V66-L126 HydrophobicContact CG2-CD2 4.15Å
67	N	92.8	Very high	95	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.8	170.7	-166.8	9.7	0	0	0	110.4	Q45 N46 F48 S69	Q45-N67 WeakPolarHBondContact CA-O 3.33Å; N46-N67 HydrophobicContact CB-CB 4.34Å; N46-N67 PolarHBondContact N-O 3.37Å; N46-N67 PolarHBondContact O-N 2.83Å; F48-N67 HydrophobicContact CE1-CB 4.48Å; N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 2.9Å
68	K	87.8	Confident	95.1	Very high	100 Å²	100	41.5 Å²	41.5	44%	0.435	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.3	-177.5	-56.9	-176.1	-179.4	-176.6	0	113.6	D43 Q45	D43-K68 HydrophobicContact CB-CD 4.09Å; D43-K68 IonicContact OD1-NZ 2.69Å; D43-K68 PolarHBondContact OD1-NZ 3.17Å; D43-K68 IonicContact OD2-NZ 3.41Å; D43-K68 PolarHBondContact OD2-NZ 3.11Å; Q45-K68 WeakPolarHBondContact CG-O 3.38Å
69	S	88.3	Confident	95.1	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	22%	0.215	C	C	.	.			trans	-56.5	140	-179	-178.1	0	0	0	0	112.8	N67 D71 S104	N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 2.9Å; S69-D71 PolarHBondContact OG-N 2.94Å; S69-S104 VanDerWaalsContact CB-O 3.27Å; S69-S104 WeakPolarHBondContact CB-O 3.42Å; S69-S104 VanDerWaalsContact OG-C 3.29Å; S69-S104 PolarHBondContact OG-O 3.01Å
70	D	88.5	Confident	95	Very high	105 Å²	105	41.2 Å²	41.2	56%	0.561	23%	0.226	S	C	*	.			trans	-113.9	25.9	174.4	67.3	0.7	0	0	0	112.3	Q45 S72	Q45-D70 VanDerWaalsContact CD-OD1 3.26Å; Q45-D70 PolarHBondContact NE2-OD1 2.92Å; Q45-D70 PolarHBondContact NE2-OD2 2.8Å; Q45-D70 PolarHBondContact OE1-OD1 2.87Å; D70-S72 VanDerWaalsContact C-N 3.27Å; D70-S72 PolarHBondContact O-N 3.38Å; D70-S72 VanDerWaalsContact OD1-CB 3.23Å; D70-S72 WeakPolarHBondContact OD1-CB 3.39Å; D70-S72 PolarHBondContact OD1-N 2.99Å; D70-S72 PolarHBondContact OD1-OG 3.45Å
71	D	87.1	Confident	94.9	Very high	113 Å²	113	47.2 Å²	47.2	60%	0.604	25%	0.248	S	C	*	.	S	Bend	trans	68.8	18.3	-172.7	-56.4	-27.1	0	0	0	114.9	S69 S104	S69-D71 PolarHBondContact OG-N 2.94Å; D71-S104 WeakPolarHBondContact OD1-CB 3.43Å; D71-S104 PolarHBondContact OD1-OG 3.14Å; D71-S104 VanDerWaalsContact OD1-OG 3.04Å
72	S	91.7	Very high	94.9	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.14	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-52.5	148.3	167.3	-76.4	0	0	0	0	113	Q45 D70 T128	Q45-S72 PolarHBondContact NE2-OG 3.06Å; Q45-S72 VanDerWaalsContact NE2-OG 3.16Å; D70-S72 VanDerWaalsContact C-N 3.27Å; D70-S72 PolarHBondContact O-N 3.38Å; D70-S72 VanDerWaalsContact OD1-CB 3.23Å; D70-S72 WeakPolarHBondContact OD1-CB 3.39Å; D70-S72 PolarHBondContact OD1-N 2.99Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; S72-T128 WeakPolarHBondContact OG-CG2 3.28Å
73	V	93.9	Very high	94.9	Very high	34 Å²	34	51.1 Å²	51.1	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.6	-173.8	177.6	0	0	0	0	111.2	F86 R87 L126 Y127	V73-F86 HydrophobicContact CG1-CD1 4.49Å; V73-F86 HydrophobicContact CG1-CD2 4.19Å; V73-F86 HydrophobicContact CG1-CE1 4Å; V73-F86 HydrophobicContact CG1-CE2 3.66Å; V73-F86 HydrophobicContact CG1-CZ 3.57Å; V73-R87 HydrophobicContact CG1-CG 3.69Å; V73-L126 WeakPolarHBondContact O-CA 3.39Å; V73-Y127 HydrophobicContact CB-CD2 4.13Å; V73-Y127 HydrophobicContact CG1-CD2 4.12Å; V73-Y127 WeakPolarHBondContact O-CD2 3.3Å; V73-Y127 PolarHBondContact O-N 3.36Å
74	I	96.4	Very high	94.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.7	172.9	-48.9	170.5	0	0	0	109.6	C64 V66 R87 L107 L126	C64-I74 HydrophobicContact CB-CG2 3.78Å; V66-I74 HydrophobicContact CG2-CD1 3.71Å; V66-I74 HydrophobicContact CG2-CG1 4Å; I74-R87 PolarHBondContact O-N 2.81Å; I74-L107 HydrophobicContact CB-CB 4.19Å; I74-L107 HydrophobicContact CB-CD2 4.39Å; I74-L107 HydrophobicContact CD1-CB 4.32Å; I74-L107 HydrophobicContact CG2-CB 3.77Å; I74-L107 HydrophobicContact CG2-CD2 3.88Å; I74-L107 HydrophobicContact CG2-CG 4.49Å; I74-L126 HydrophobicContact CG1-CD1 3.88Å
75	Q	97.3	Very high	94.9	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.1	173.2	-176.6	-172.1	26.1	0	0	110.1	L77 T83 Y85 F86 C124 Q125 Y127	Q75-L77 HydrophobicContact CG-CD1 4.12Å; Q75-L77 HydrophobicContact CG-CG 4.29Å; Q75-T83 HydrophobicContact CG-CG2 3.77Å; Q75-T83 PolarHBondContact NE2-OG1 2.78Å; Q75-Y85 CarbonylContact C-O 3.52Å; Q75-Y85 WeakPolarHBondContact CA-O 3.43Å; Q75-Y85 WeakPolarHBondContact CG-O 3.45Å; Q75-F86 HydrophobicContact CB-CD2 4.15Å; Q75-F86 HydrophobicContact CG-CD2 4.13Å; Q75-C124 CarbonylContact O-C 3.02Å; Q75-C124 WeakPolarHBondContact O-CA 3.1Å; Q75-Q125 HydrophobicContact CB-CB 4.4Å; Q75-Q125 PolarHBondContact N-O 2.98Å; Q75-Q125 PolarHBondContact O-N 3.36Å; Q75-Q125 VanDerWaalsContact OE1-OE1 3.07Å; Q75-Y127 HydrophobicContact CB-CE2 3.91Å; Q75-Y127 PolarHBondContact OE1-OH 2.95Å
76	L	98.4	Very high	94.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	173.1	177.9	65.4	0	0	0	109.7	I62 I84 Y85 L107 V109 F123	I62-L76 HydrophobicContact CB-CD2 4.34Å; I62-L76 HydrophobicContact CD1-CD2 4.17Å; I62-L76 HydrophobicContact CG2-CD1 3.73Å; I62-L76 HydrophobicContact CG2-CD2 3.9Å; I62-L76 HydrophobicContact CG2-CG 4.5Å; L76-I84 HydrophobicContact CD2-CB 4.39Å; L76-I84 HydrophobicContact CD2-CD1 4.16Å; L76-I84 HydrophobicContact CG-CB 4.33Å; L76-I84 HydrophobicContact CG-CD1 4.08Å; L76-I84 PolarHBondContact O-N 3.49Å; L76-Y85 PolarHBondContact N-O 2.85Å; L76-Y85 PolarHBondContact O-N 2.8Å; L76-L107 HydrophobicContact CB-CD2 3.82Å; L76-V109 HydrophobicContact CD2-CB 3.99Å; L76-V109 HydrophobicContact CD2-CG1 4.38Å; L76-V109 HydrophobicContact CD2-CG2 3.85Å; L76-F123 CarbonylContact C-O 3.56Å; L76-F123 WeakPolarHBondContact CA-O 3.31Å
77	L	98.4	Very high	94.9	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.1	177.5	-49.7	96.6	0	0	0	111.5	Q75 R81 Q82 Y122 F123 Q125	Q75-L77 HydrophobicContact CG-CD1 4.12Å; Q75-L77 HydrophobicContact CG-CG 4.29Å; L77-R81 WeakPolarHBondContact CD2-O 3.45Å; L77-Q82 CarbonylContact C-O 3.46Å; L77-Q82 VanDerWaalsContact CA-O 3.22Å; L77-Q82 WeakPolarHBondContact CA-O 3.45Å; L77-Y122 CarbonylContact O-C 3.52Å; L77-Y122 WeakPolarHBondContact O-CA 3.37Å; L77-F123 HydrophobicContact CB-CB 4.3Å; L77-F123 HydrophobicContact CD1-CB 4.15Å; L77-F123 WeakPolarHBondContact CD1-O 3.46Å; L77-F123 PolarHBondContact N-O 2.75Å; L77-F123 PolarHBondContact O-N 2.59Å; L77-Q125 HydrophobicContact CD1-CB 4.14Å; L77-Q125 VanDerWaalsContact CD1-CD 3.5Å; L77-Q125 HydrophobicContact CD1-CG 3.63Å
78	N	97.7	Very high	94.9	Very high	16 Å²	16	55.6 Å²	55.6	9%	0.086	28%	0.277	C	S	.	.			trans	-77.5	176.2	174.3	78.5	-3.5	0	0	0	111.6	N80 R81 Q82 I84 Y122	N78-N80 PolarHBondContact O-N 3.26Å; N78-N80 VanDerWaalsContact O-N 3.14Å; N78-N80 WeakPolarHBondContact OD1-CA 3.2Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.81Å; N78-R81 WeakPolarHBondContact O-CA 3.45Å; N78-R81 PolarHBondContact O-N 3.44Å; N78-R81 PolarHBondContact OD1-N 2.72Å; N78-Q82 PolarHBondContact N-O 2.82Å; N78-Q82 PolarHBondContact ND2-OE1 2.87Å; N78-Q82 WeakPolarHBondContact OD1-CB 3.3Å; N78-Q82 PolarHBondContact OD1-N 3.36Å; N78-I84 HydrophobicContact CB-CD1 3.76Å; N78-I84 HydrophobicContact CB-CG1 3.89Å; N78-Y122 HydrophobicContact CB-CD1 4.45Å; N78-Y122 HydrophobicContact CB-CE1 4.22Å
79	P	97.8	Very high	95.3	Very high	46 Å²	46	57.4 Å²	57.4	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.5	177.9	-28.3	36.8	0	0	0	115	R81 R121 Y122	P79-R81 PolarHBondContact O-N 3.44Å; P79-R121 WeakPolarHBondContact CA-O 3.3Å; P79-Y122 HydrophobicContact CG-CD2 4.17Å; P79-Y122 HydrophobicContact CG-CE2 3.82Å
80	N	96.5	Very high	95.7	Very high	130 Å²	130	60.3 Å²	60.3	70%	0.695	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	11.6	175.6	-62.9	-45.2	0	0	0	113.3	N78 Q82	N78-N80 PolarHBondContact O-N 3.26Å; N78-N80 VanDerWaalsContact O-N 3.14Å; N78-N80 WeakPolarHBondContact OD1-CA 3.2Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.81Å; N80-Q82 HydrophobicContact CB-CG 4.3Å; N80-Q82 PolarHBondContact O-N 3.2Å
81	R	96.6	Very high	96.1	Very high	127 Å²	127	58.1 Å²	58.1	48%	0.479	28%	0.283	S	S	.	.			trans	56.5	27.9	-175.5	-63.3	-171.8	168.2	-88.9	0.6	114.2	L77 N78 P79 F123 E133	L77-R81 WeakPolarHBondContact CD2-O 3.45Å; N78-R81 WeakPolarHBondContact O-CA 3.45Å; N78-R81 PolarHBondContact O-N 3.44Å; N78-R81 PolarHBondContact OD1-N 2.72Å; P79-R81 PolarHBondContact O-N 3.44Å; R81-F123 HydrophobicContact CG-CE2 4.47Å; R81-E133 IonicContact CZ-OE2 2.64Å; R81-E133 IonicContact NH1-OE1 2.82Å; R81-E133 IonicContact NH1-OE2 2.68Å; R81-E133 PolarHBondContact NH1-OE2 3.11Å; R81-E133 IonicContact NH2-OE1 3Å; R81-E133 PolarHBondContact NH2-OE1 2.92Å; R81-E133 IonicContact NH2-OE2 3.93Å
82	Q	97.4	Very high	96.6	Very high	100 Å²	100	54.3 Å²	54.3	47%	0.467	26%	0.262	S	S	.	.			trans	-86.1	138.1	169.6	-58	172.3	-48.3	0	0	109.7	L77 N78 N80 I84 L92	L77-Q82 CarbonylContact C-O 3.46Å; L77-Q82 VanDerWaalsContact CA-O 3.22Å; L77-Q82 WeakPolarHBondContact CA-O 3.45Å; N78-Q82 PolarHBondContact N-O 2.82Å; N78-Q82 PolarHBondContact ND2-OE1 2.87Å; N78-Q82 WeakPolarHBondContact OD1-CB 3.3Å; N78-Q82 PolarHBondContact OD1-N 3.36Å; N80-Q82 HydrophobicContact CB-CG 4.3Å; N80-Q82 PolarHBondContact O-N 3.2Å; Q82-I84 PolarHBondContact O-N 3.15Å; Q82-L92 HydrophobicContact CB-CD1 4.41Å
83	T	98.1	Very high	96.7	Very high	38 Å²	38	63.5 Å²	63.5	23%	0.233	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.5	-179.4	-51.9	0	0	0	0	111.5	Q75 F86 P91 L92	Q75-T83 HydrophobicContact CG-CG2 3.77Å; Q75-T83 PolarHBondContact NE2-OG1 2.78Å; T83-F86 HydrophobicContact CG2-CB 4.1Å; T83-P91 HydrophobicContact CG2-CG 3.89Å; T83-L92 WeakPolarHBondContact O-CB 3.3Å; T83-L92 PolarHBondContact O-N 2.7Å
84	I	98.3	Very high	96.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-58.2	171.4	-54.3	172.6	0	0	0	108.6	L76 N78 Q82 R90 P91 L92 F97 Y122	L76-I84 HydrophobicContact CD2-CB 4.39Å; L76-I84 HydrophobicContact CD2-CD1 4.16Å; L76-I84 HydrophobicContact CG-CB 4.33Å; L76-I84 HydrophobicContact CG-CD1 4.08Å; L76-I84 PolarHBondContact O-N 3.49Å; N78-I84 HydrophobicContact CB-CD1 3.76Å; N78-I84 HydrophobicContact CB-CG1 3.89Å; Q82-I84 PolarHBondContact O-N 3.15Å; I84-R90 WeakPolarHBondContact O-CA 3.24Å; I84-R90 VanDerWaalsContact O-CG 3.22Å; I84-R90 WeakPolarHBondContact O-CG 3.4Å; I84-P91 VanDerWaalsContact O-CD 3.31Å; I84-P91 WeakPolarHBondContact O-CD 3.37Å; I84-L92 HydrophobicContact CG1-CD2 4.01Å; I84-F97 HydrophobicContact CD1-CD1 4.12Å; I84-F97 HydrophobicContact CD1-CE1 3.64Å; I84-F97 HydrophobicContact CD1-CE2 4.49Å; I84-F97 HydrophobicContact CD1-CZ 3.85Å; I84-F97 HydrophobicContact CG2-CB 3.76Å; I84-F97 HydrophobicContact CG2-CD1 3.65Å; I84-F97 HydrophobicContact CG2-CD2 4.08Å; I84-F97 HydrophobicContact CG2-CE1 4.25Å; I84-F97 HydrophobicContact CG2-CG 3.55Å; I84-Y122 HydrophobicContact CD1-CD1 3.64Å; I84-Y122 HydrophobicContact CD1-CE1 3.76Å
85	Y	98.3	Very high	96.8	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.3	177.6	-81.2	-89	0	0	0	111	Q75 L76 F89 R90 F97 L99 V109	Q75-Y85 CarbonylContact C-O 3.52Å; Q75-Y85 WeakPolarHBondContact CA-O 3.43Å; Q75-Y85 WeakPolarHBondContact CG-O 3.45Å; L76-Y85 PolarHBondContact N-O 2.85Å; L76-Y85 PolarHBondContact O-N 2.8Å; Y85-F89 CarbonylContact C-O 3.54Å; Y85-F89 VanDerWaalsContact CA-O 3.3Å; Y85-F89 WeakPolarHBondContact CA-O 3.43Å; Y85-F89 WeakPolarHBondContact CD1-O 3.4Å; Y85-R90 HydrophobicContact CD1-CB 3.98Å; Y85-R90 HydrophobicContact CD1-CG 4.49Å; Y85-R90 HydrophobicContact CD2-CG 4.38Å; Y85-R90 HydrophobicContact CE1-CB 3.54Å; Y85-R90 HydrophobicContact CE1-CG 4.07Å; Y85-R90 HydrophobicContact CE2-CB 4.33Å; Y85-R90 HydrophobicContact CE2-CG 3.93Å; Y85-R90 WeakPolarHBondContact OH-CD 3.44Å; Y85-F97 HydrophobicContact CE2-CB 4.22Å; Y85-F97 PolarHBondContact OH-O 2.95Å; Y85-F97 VanDerWaalsContact OH-O 3.05Å; Y85-L99 HydrophobicContact CD1-CD1 4.12Å; Y85-L99 HydrophobicContact CE1-CB 3.73Å; Y85-L99 HydrophobicContact CE1-CD1 4.02Å; Y85-L99 HydrophobicContact CE1-CD2 4.47Å; Y85-L99 HydrophobicContact CE1-CG 4.29Å; Y85-L99 PolarHBondContact OH-N 2.82Å; Y85-V109 HydrophobicContact CD2-CB 4.32Å; Y85-V109 HydrophobicContact CD2-CG1 3.84Å; Y85-V109 HydrophobicContact CD2-CG2 3.46Å; Y85-V109 VanDerWaalsContact CD2-CG2 3.46Å; Y85-V109 HydrophobicContact CE2-CB 4.33Å; Y85-V109 HydrophobicContact CE2-CG1 3.53Å; Y85-V109 HydrophobicContact CE2-CG2 3.79Å; Y85-V109 HydrophobicContact CG-CG2 4.1Å
86	F	96.8	Very high	96.8	Very high	76 Å²	76	69.9 Å²	69.9	33%	0.333	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	108.2	166.1	-178.9	-90.3	0	0	0	106.3	V73 Q75 T83 D88 F89 Y127	V73-F86 HydrophobicContact CG1-CD1 4.49Å; V73-F86 HydrophobicContact CG1-CD2 4.19Å; V73-F86 HydrophobicContact CG1-CE1 4Å; V73-F86 HydrophobicContact CG1-CE2 3.66Å; V73-F86 HydrophobicContact CG1-CZ 3.57Å; Q75-F86 HydrophobicContact CB-CD2 4.15Å; Q75-F86 HydrophobicContact CG-CD2 4.13Å; T83-F86 HydrophobicContact CG2-CB 4.1Å; F86-D88 PolarHBondContact O-N 2.9Å; F86-F89 PolarHBondContact N-O 3.47Å; F86-F89 PolarHBondContact O-N 3.15Å; F86-F89 VanDerWaalsContact O-N 3.13Å; F86-Y127 HydrophobicContact CD2-CE2 4.35Å; F86-Y127 HydrophobicContact CE2-CD2 4.37Å; F86-Y127 AromaticContact CE2-CE2 3.8Å; F86-Y127 HydrophobicContact CE2-CE2 3.8Å
87	R	94.1	Very high	96.8	Very high	99 Å²	99	70.1 Å²	70.1	37%	0.374	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-127.2	-162.7	-52.9	175	63	89.9	1.4	110.4	V73 I74 F102 L107	V73-R87 HydrophobicContact CG1-CG 3.69Å; I74-R87 PolarHBondContact O-N 2.81Å; R87-F102 HydrophobicContact CB-CE1 3.98Å; R87-F102 HydrophobicContact CB-CE2 3.96Å; R87-F102 HydrophobicContact CB-CZ 3.52Å; R87-F102 HydrophobicContact CG-CZ 4.01Å; R87-L107 WeakPolarHBondContact O-CD1 3.41Å
88	D	94.3	Very high	96.8	Very high	97 Å²	97	74.3 Å²	74.3	52%	0.519	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.2	176.1	57.7	-40.7	0	0	0	113.9	F86 L99 F102	F86-D88 PolarHBondContact O-N 2.9Å; D88-L99 HydrophobicContact CB-CD2 3.82Å; D88-F102 HydrophobicContact CB-CB 4.38Å; D88-F102 HydrophobicContact CB-CD1 3.76Å; D88-F102 HydrophobicContact CB-CE1 4.35Å; D88-F102 HydrophobicContact CB-CG 4.15Å
89	F	96.4	Very high	96.8	Very high	138 Å²	138	76.5 Å²	76.5	61%	0.605	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-86.7	136.3	179.2	-176.7	-109.3	0	0	0	111.2	Y85 F86 P91	Y85-F89 CarbonylContact C-O 3.54Å; Y85-F89 VanDerWaalsContact CA-O 3.3Å; Y85-F89 WeakPolarHBondContact CA-O 3.43Å; Y85-F89 WeakPolarHBondContact CD1-O 3.4Å; F86-F89 PolarHBondContact N-O 3.47Å; F86-F89 PolarHBondContact O-N 3.15Å; F86-F89 VanDerWaalsContact O-N 3.13Å; F89-P91 HydrophobicContact CD1-CG 3.77Å; F89-P91 HydrophobicContact CE1-CB 4.26Å; F89-P91 HydrophobicContact CE1-CG 3.84Å; F89-P91 VanDerWaalsContact O-CD 3.26Å; F89-P91 WeakPolarHBondContact O-CD 3.34Å
90	R	96.6	Very high	96.8	Very high	97 Å²	97	78.7 Å²	78.7	37%	0.366	38%	0.376	S	S	.	.			trans	-107.3	94.5	178.2	-167.6	-177.7	56.6	-146.4	-3.3	111.7	I84 Y85 F97	I84-R90 WeakPolarHBondContact O-CA 3.24Å; I84-R90 VanDerWaalsContact O-CG 3.22Å; I84-R90 WeakPolarHBondContact O-CG 3.4Å; Y85-R90 HydrophobicContact CD1-CB 3.98Å; Y85-R90 HydrophobicContact CD1-CG 4.49Å; Y85-R90 HydrophobicContact CD2-CG 4.38Å; Y85-R90 HydrophobicContact CE1-CB 3.54Å; Y85-R90 HydrophobicContact CE1-CG 4.07Å; Y85-R90 HydrophobicContact CE2-CB 4.33Å; Y85-R90 HydrophobicContact CE2-CG 3.93Å; Y85-R90 WeakPolarHBondContact OH-CD 3.44Å; R90-F97 VanDerWaalsContact CD-O 3.3Å; R90-F97 WeakPolarHBondContact CD-O 3.37Å; R90-F97 PolarHBondContact NH1-O 2.84Å
91	P	96.9	Very high	96.7	Very high	59 Å²	59	75.6 Å²	75.6	38%	0.383	36%	0.36	S	S	.	.			trans	-67.6	-35.1	175.5	-21.6	32.7	0	0	0	113.8	T83 I84 F89 K93	T83-P91 HydrophobicContact CG2-CG 3.89Å; I84-P91 VanDerWaalsContact O-CD 3.31Å; I84-P91 WeakPolarHBondContact O-CD 3.37Å; F89-P91 HydrophobicContact CD1-CG 3.77Å; F89-P91 HydrophobicContact CE1-CB 4.26Å; F89-P91 HydrophobicContact CE1-CG 3.84Å; F89-P91 VanDerWaalsContact O-CD 3.26Å; F89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-K93 PolarHBondContact O-N 3.28Å
92	L	96.1	Very high	96.7	Very high	33 Å²	33	72.3 Å²	72.3	17%	0.173	35%	0.349	C	S	.	.	S	Bend	trans	-69.3	128.1	-179.3	-170.7	67.2	0	0	0	110.7	Q82 T83 I84 D94 F97	Q82-L92 HydrophobicContact CB-CD1 4.41Å; T83-L92 WeakPolarHBondContact O-CB 3.3Å; T83-L92 PolarHBondContact O-N 2.7Å; I84-L92 HydrophobicContact CG1-CD2 4.01Å; L92-D94 HydrophobicContact CD2-CB 4.1Å; L92-D94 HydrophobicContact CG-CB 4.13Å; L92-D94 PolarHBondContact O-N 3.3Å; L92-D94 VanDerWaalsContact O-N 3.08Å; L92-F97 HydrophobicContact CD2-CD2 4.16Å; L92-F97 HydrophobicContact CD2-CE2 4.05Å
93	K	94.3	Very high	96.6	Very high	212 Å²	212	69.4 Å²	69.4	92%	0.922	34%	0.34	S	S	*	.			trans	-83.4	34.8	179.5	-63.2	-174.2	179.8	179.6	0	113.4	P91	P91-K93 PolarHBondContact O-N 3.28Å
94	D	96	Very high	96.3	Very high	39 Å²	39	69.9 Å²	69.9	21%	0.209	35%	0.345	C	S	.	.			trans	-101.3	112.2	170.7	-175.4	-15.3	0	0	0	108.4	L92 R96 F97	L92-D94 HydrophobicContact CD2-CB 4.1Å; L92-D94 HydrophobicContact CG-CB 4.13Å; L92-D94 PolarHBondContact O-N 3.3Å; L92-D94 VanDerWaalsContact O-N 3.08Å; D94-R96 PolarHBondContact O-N 2.75Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CG 3.28Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 2.83Å; D94-R96 PolarHBondContact OD1-NE 2.81Å; D94-R96 IonicContact OD2-CZ 3.24Å; D94-R96 IonicContact OD2-NE 2.71Å; D94-R96 PolarHBondContact OD2-NE 2.87Å; D94-R96 IonicContact OD2-NH2 3.32Å; D94-R96 PolarHBondContact OD2-NH2 3.46Å; D94-F97 HydrophobicContact CB-CD2 3.89Å; D94-F97 HydrophobicContact CB-CE2 4.25Å; D94-F97 PolarHBondContact O-N 2.99Å
95	S	95.9	Very high	96.1	Very high	89 Å²	89	72.6 Å²	72.6	62%	0.622	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.5	-176	55.2	0	0	0	0	113.6	F97	S95-F97 VanDerWaalsContact C-N 3.26Å; S95-F97 PolarHBondContact O-N 2.76Å
96	R	98	Very high	95.9	Very high	55 Å²	55	73.7 Å²	73.7	21%	0.208	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-24	178.1	-59.3	-179.5	-58.2	137.4	1.8	112.7	D94 Q98 L111 T112 N113 D118	D94-R96 PolarHBondContact O-N 2.75Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 WeakPolarHBondContact OD1-CG 3.28Å; D94-R96 PolarHBondContact OD1-N 2.8Å; D94-R96 IonicContact OD1-NE 2.83Å; D94-R96 PolarHBondContact OD1-NE 2.81Å; D94-R96 IonicContact OD2-CZ 3.24Å; D94-R96 IonicContact OD2-NE 2.71Å; D94-R96 PolarHBondContact OD2-NE 2.87Å; D94-R96 IonicContact OD2-NH2 3.32Å; D94-R96 PolarHBondContact OD2-NH2 3.46Å; R96-Q98 PolarHBondContact O-N 3.28Å; R96-L111 HydrophobicContact CB-CD1 3.72Å; R96-L111 WeakPolarHBondContact O-CA 3.49Å; R96-T112 WeakPolarHBondContact CA-OG1 2.94Å; R96-T112 WeakPolarHBondContact CD-O 3.01Å; R96-T112 PolarHBondContact O-N 2.88Å; R96-T112 PolarHBondContact O-OG1 2.93Å; R96-N113 PolarHBondContact NH1-O 2.64Å; R96-D118 IonicContact CZ-OD1 3.87Å; R96-D118 VanDerWaalsContact CZ-OD1 3.32Å; R96-D118 IonicContact CZ-OD2 3.44Å; R96-D118 IonicContact NH1-OD1 2.74Å; R96-D118 PolarHBondContact NH1-OD1 3.44Å; R96-D118 IonicContact NH1-OD2 2.66Å; R96-D118 PolarHBondContact NH1-OD2 2.84Å; R96-D118 IonicContact NH2-OD1 3.49Å; R96-D118 PolarHBondContact NH2-OD1 2.84Å; R96-D118 IonicContact NH2-OD2 2.81Å
97	F	98.3	Very high	96	Very high	5 Å²	5	70.1 Å²	70.1	2%	0.022	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.2	175.1	-70.4	-79.6	0	0	0	111.2	I62 I84 Y85 R90 L92 D94 S95 V109 S110 L111 Y122	I62-F97 HydrophobicContact CD1-CE1 4.27Å; I84-F97 HydrophobicContact CD1-CD1 4.12Å; I84-F97 HydrophobicContact CD1-CE1 3.64Å; I84-F97 HydrophobicContact CD1-CE2 4.49Å; I84-F97 HydrophobicContact CD1-CZ 3.85Å; I84-F97 HydrophobicContact CG2-CB 3.76Å; I84-F97 HydrophobicContact CG2-CD1 3.65Å; I84-F97 HydrophobicContact CG2-CD2 4.08Å; I84-F97 HydrophobicContact CG2-CE1 4.25Å; I84-F97 HydrophobicContact CG2-CG 3.55Å; Y85-F97 HydrophobicContact CE2-CB 4.22Å; Y85-F97 PolarHBondContact OH-O 2.95Å; Y85-F97 VanDerWaalsContact OH-O 3.05Å; R90-F97 VanDerWaalsContact CD-O 3.3Å; R90-F97 WeakPolarHBondContact CD-O 3.37Å; R90-F97 PolarHBondContact NH1-O 2.84Å; L92-F97 HydrophobicContact CD2-CD2 4.16Å; L92-F97 HydrophobicContact CD2-CE2 4.05Å; D94-F97 HydrophobicContact CB-CD2 3.89Å; D94-F97 HydrophobicContact CB-CE2 4.25Å; D94-F97 PolarHBondContact O-N 2.99Å; S95-F97 VanDerWaalsContact C-N 3.26Å; S95-F97 PolarHBondContact O-N 2.76Å; F97-V109 HydrophobicContact CB-CG1 4.19Å; F97-V109 HydrophobicContact CD1-CG1 4.02Å; F97-S110 CarbonylContact C-O 3.52Å; F97-S110 VanDerWaalsContact CA-O 3.24Å; F97-S110 WeakPolarHBondContact CA-O 3.5Å; F97-L111 HydrophobicContact CD1-CB 4.06Å; F97-L111 HydrophobicContact CD1-CD1 3.99Å; F97-L111 HydrophobicContact CD2-CD1 4.1Å; F97-L111 HydrophobicContact CE1-CB 3.89Å; F97-L111 HydrophobicContact CE1-CD1 3.71Å; F97-L111 HydrophobicContact CE1-CD2 3.92Å; F97-L111 HydrophobicContact CE1-CG 4.05Å; F97-L111 HydrophobicContact CE2-CD1 3.84Å; F97-L111 HydrophobicContact CG-CD1 4.18Å; F97-L111 HydrophobicContact CZ-CD1 3.64Å; F97-L111 HydrophobicContact CZ-CD2 3.94Å; F97-L111 HydrophobicContact CZ-CG 4.26Å; F97-Y122 AromaticContact CE1-CE1 3.96Å; F97-Y122 HydrophobicContact CE1-CE1 3.96Å; F97-Y122 AromaticContact CZ-CE1 3.93Å; F97-Y122 HydrophobicContact CZ-CE1 3.93Å
98	Q	97.8	Very high	96.2	Very high	98 Å²	98	68.9 Å²	68.9	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	-179.9	-53.5	-179.6	20.2	0	0	111.2	R96 L100 V109 S110	R96-Q98 PolarHBondContact O-N 3.28Å; Q98-L100 PolarHBondContact O-N 2Å; Q98-V109 CarbonylContact O-C 3.58Å; Q98-V109 WeakPolarHBondContact O-CA 3.29Å; Q98-V109 WeakPolarHBondContact O-CG1 3.42Å; Q98-S110 PolarHBondContact N-O 3.17Å; Q98-S110 PolarHBondContact O-N 3.3Å; Q98-S110 PolarHBondContact O-OG 2.73Å
99	L	97.8	Very high	96.4	Very high	62 Å²	62	64.2 Å²	64.2	33%	0.325	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.5	177.2	-172.3	65.6	0	0	0	108.7	Y85 D88 F102 L107 V109	Y85-L99 HydrophobicContact CD1-CD1 4.12Å; Y85-L99 HydrophobicContact CE1-CB 3.73Å; Y85-L99 HydrophobicContact CE1-CD1 4.02Å; Y85-L99 HydrophobicContact CE1-CD2 4.47Å; Y85-L99 HydrophobicContact CE1-CG 4.29Å; Y85-L99 PolarHBondContact OH-N 2.82Å; D88-L99 HydrophobicContact CB-CD2 3.82Å; L99-F102 HydrophobicContact CD1-CB 4.21Å; L99-F102 HydrophobicContact CD2-CB 4.12Å; L99-L107 HydrophobicContact CD1-CD1 3.61Å; L99-V109 HydrophobicContact CD1-CG2 4.29Å
100	L	97.5	Very high	96.5	Very high	91 Å²	91	58 Å²	58	48%	0.476	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-45.5	175.8	-64.2	-177.9	0	0	0	111.5	T61 Q98 K108	T61-L100 HydrophobicContact CG2-CD1 3.9Å; Q98-L100 PolarHBondContact O-N 2Å; L100-K108 HydrophobicContact CB-CB 4.35Å; L100-K108 HydrophobicContact CB-CG 4.21Å; L100-K108 WeakPolarHBondContact CB-O 3.42Å; L100-K108 HydrophobicContact CD1-CG 4.23Å; L100-K108 PolarHBondContact N-O 2.86Å
101	N	96.3	Very high	96.6	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.353	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141.6	179.1	-172.3	30.6	0	0	0	110	E106 K108	N101-E106 PolarHBondContact ND2-OE2 3Å; N101-K108 HydrophobicContact CB-CB 3.87Å; N101-K108 PolarHBondContact N-O 2.76Å; N101-K108 VanDerWaalsContact N-O 3.13Å; N101-K108 PolarHBondContact O-N 2.77Å
102	F	96.1	Very high	96.7	Very high	57 Å²	57	52.4 Å²	52.4	25%	0.25	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127.4	167.9	174.9	-112.5	0	0	0	109.8	R87 D88 L99 E106 L107	R87-F102 HydrophobicContact CB-CE1 3.98Å; R87-F102 HydrophobicContact CB-CE2 3.96Å; R87-F102 HydrophobicContact CB-CZ 3.52Å; R87-F102 HydrophobicContact CG-CZ 4.01Å; D88-F102 HydrophobicContact CB-CB 4.38Å; D88-F102 HydrophobicContact CB-CD1 3.76Å; D88-F102 HydrophobicContact CB-CE1 4.35Å; D88-F102 HydrophobicContact CB-CG 4.15Å; L99-F102 HydrophobicContact CD1-CB 4.21Å; L99-F102 HydrophobicContact CD2-CB 4.12Å; F102-E106 CarbonylContact C-O 3.59Å; F102-E106 WeakPolarHBondContact CA-O 3.42Å; F102-L107 HydrophobicContact CD2-CD1 4.08Å
103	S	94.9	Very high	96.7	Very high	40 Å²	40	56 Å²	56	28%	0.28	30%	0.295	S	S	.	.			trans	-147.8	178.6	172.6	66.4	0	0	0	0	108.9	S105 E106	S103-S105 PolarHBondContact O-N 2.94Å; S103-S105 PolarHBondContact OG-N 2.81Å; S103-S105 PolarHBondContact OG-OG 2.89Å; S103-E106 PolarHBondContact N-O 2.86Å; S103-E106 PolarHBondContact OG-N 2.82Å; S103-E106 VanDerWaalsContact OG-N 3.16Å
104	S	91.1	Very high	96.9	Very high	48 Å²	48	46 Å²	46	34%	0.336	25%	0.251	S	S	.	.	S	Bend	trans	-65.3	-23.4	174.9	52.9	0	0	0	0	113.7	S69 D71	S69-S104 VanDerWaalsContact CB-O 3.27Å; S69-S104 WeakPolarHBondContact CB-O 3.42Å; S69-S104 VanDerWaalsContact OG-C 3.29Å; S69-S104 PolarHBondContact OG-O 3.01Å; D71-S104 WeakPolarHBondContact OD1-CB 3.43Å; D71-S104 PolarHBondContact OD1-OG 3.14Å; D71-S104 VanDerWaalsContact OD1-OG 3.04Å
105	S	93.9	Very high	96.9	Very high	57 Å²	57	45.9 Å²	45.9	40%	0.399	25%	0.253	S	S	.	.	S	Bend	trans	-104.5	-7.2	-179.3	59.1	0	0	0	0	114.5	Q65 V66 S103	Q65-S105 CarbonylContact C-O 3.55Å; Q65-S105 WeakPolarHBondContact CA-O 3.16Å; V66-S105 PolarHBondContact N-O 2.94Å; S103-S105 PolarHBondContact O-N 2.94Å; S103-S105 PolarHBondContact OG-N 2.81Å; S103-S105 PolarHBondContact OG-OG 2.89Å
106	E	95.9	Very high	96.9	Very high	30 Å²	30	43.8 Å²	43.8	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	132.8	-177.3	-172.5	176.8	-138.7	0	0	112.7	S63 C64 Q65 N101 F102 S103 K108	S63-E106 PolarHBondContact OG-OE1 2.75Å; C64-E106 WeakPolarHBondContact O-CA 3.45Å; Q65-E106 HydrophobicContact CG-CG 4.13Å; Q65-E106 PolarHBondContact NE2-OE1 3.41Å; N101-E106 PolarHBondContact ND2-OE2 3Å; F102-E106 CarbonylContact C-O 3.59Å; F102-E106 WeakPolarHBondContact CA-O 3.42Å; S103-E106 PolarHBondContact N-O 2.86Å; S103-E106 PolarHBondContact OG-N 2.82Å; S103-E106 VanDerWaalsContact OG-N 3.16Å; E106-K108 HydrophobicContact CG-CB 4.21Å
107	L	97.8	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.9	161.6	174	61.2	0	0	0	108.5	C64 I74 L76 R87 L99 F102 V109	C64-L107 HydrophobicContact CB-CB 4.28Å; C64-L107 PolarHBondContact N-O 3.22Å; C64-L107 PolarHBondContact O-N 2.69Å; I74-L107 HydrophobicContact CB-CB 4.19Å; I74-L107 HydrophobicContact CB-CD2 4.39Å; I74-L107 HydrophobicContact CD1-CB 4.32Å; I74-L107 HydrophobicContact CG2-CB 3.77Å; I74-L107 HydrophobicContact CG2-CD2 3.88Å; I74-L107 HydrophobicContact CG2-CG 4.49Å; L76-L107 HydrophobicContact CB-CD2 3.82Å; R87-L107 WeakPolarHBondContact O-CD1 3.41Å; L99-L107 HydrophobicContact CD1-CD1 3.61Å; F102-L107 HydrophobicContact CD2-CD1 4.08Å; L107-V109 HydrophobicContact CD1-CG2 4.11Å; L107-V109 HydrophobicContact CG-CG2 4.26Å
108	K	98.3	Very high	96.7	Very high	73 Å²	73	46.5 Å²	46.5	32%	0.317	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	-176.7	-164.3	175.7	-178.9	173.5	0	110.9	T61 I62 L100 N101 E106	T61-K108 HydrophobicContact CG2-CD 4.27Å; T61-K108 HydrophobicContact CG2-CG 3.88Å; I62-K108 CarbonylContact O-C 3.56Å; I62-K108 WeakPolarHBondContact O-CA 3.35Å; L100-K108 HydrophobicContact CB-CB 4.35Å; L100-K108 HydrophobicContact CB-CG 4.21Å; L100-K108 WeakPolarHBondContact CB-O 3.42Å; L100-K108 HydrophobicContact CD1-CG 4.23Å; L100-K108 PolarHBondContact N-O 2.86Å; N101-K108 HydrophobicContact CB-CB 3.87Å; N101-K108 PolarHBondContact N-O 2.76Å; N101-K108 VanDerWaalsContact N-O 3.13Å; N101-K108 PolarHBondContact O-N 2.77Å; E106-K108 HydrophobicContact CG-CB 4.21Å
109	V	98.5	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.9	-171.6	179.4	0	0	0	0	109.4	I62 L76 Y85 F97 Q98 L99 L107	I62-V109 PolarHBondContact N-O 3.23Å; I62-V109 PolarHBondContact O-N 3.34Å; L76-V109 HydrophobicContact CD2-CB 3.99Å; L76-V109 HydrophobicContact CD2-CG1 4.38Å; L76-V109 HydrophobicContact CD2-CG2 3.85Å; Y85-V109 HydrophobicContact CD2-CB 4.32Å; Y85-V109 HydrophobicContact CD2-CG1 3.84Å; Y85-V109 HydrophobicContact CD2-CG2 3.46Å; Y85-V109 VanDerWaalsContact CD2-CG2 3.46Å; Y85-V109 HydrophobicContact CE2-CB 4.33Å; Y85-V109 HydrophobicContact CE2-CG1 3.53Å; Y85-V109 HydrophobicContact CE2-CG2 3.79Å; Y85-V109 HydrophobicContact CG-CG2 4.1Å; F97-V109 HydrophobicContact CB-CG1 4.19Å; F97-V109 HydrophobicContact CD1-CG1 4.02Å; Q98-V109 CarbonylContact O-C 3.58Å; Q98-V109 WeakPolarHBondContact O-CA 3.29Å; Q98-V109 WeakPolarHBondContact O-CG1 3.42Å; L99-V109 HydrophobicContact CD1-CG2 4.29Å; L107-V109 HydrophobicContact CD1-CG2 4.11Å; L107-V109 HydrophobicContact CG-CG2 4.26Å
110	S	98.4	Very high	96.6	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.9	169.2	58.6	0	0	0	0	111.1	A60 F97 Q98	A60-S110 CarbonylContact O-C 3.51Å; A60-S110 VanDerWaalsContact O-CA 3.27Å; A60-S110 WeakPolarHBondContact O-CA 3.32Å; F97-S110 CarbonylContact C-O 3.52Å; F97-S110 VanDerWaalsContact CA-O 3.24Å; F97-S110 WeakPolarHBondContact CA-O 3.5Å; Q98-S110 PolarHBondContact N-O 3.17Å; Q98-S110 PolarHBondContact O-N 3.3Å; Q98-S110 PolarHBondContact O-OG 2.73Å
111	L	98.6	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.5	166.4	173.2	59	0	0	0	108.4	V59 A60 R96 F97 V114 D118 I138	V59-L111 CarbonylContact C-O 3.44Å; V59-L111 WeakPolarHBondContact CA-O 3.32Å; A60-L111 HydrophobicContact CB-CB 4.36Å; A60-L111 PolarHBondContact N-O 2.88Å; A60-L111 PolarHBondContact O-N 3.06Å; R96-L111 HydrophobicContact CB-CD1 3.72Å; R96-L111 WeakPolarHBondContact O-CA 3.49Å; F97-L111 HydrophobicContact CD1-CB 4.06Å; F97-L111 HydrophobicContact CD1-CD1 3.99Å; F97-L111 HydrophobicContact CD2-CD1 4.1Å; F97-L111 HydrophobicContact CE1-CB 3.89Å; F97-L111 HydrophobicContact CE1-CD1 3.71Å; F97-L111 HydrophobicContact CE1-CD2 3.92Å; F97-L111 HydrophobicContact CE1-CG 4.05Å; F97-L111 HydrophobicContact CE2-CD1 3.84Å; F97-L111 HydrophobicContact CG-CD1 4.18Å; F97-L111 HydrophobicContact CZ-CD1 3.64Å; F97-L111 HydrophobicContact CZ-CD2 3.94Å; F97-L111 HydrophobicContact CZ-CG 4.26Å; L111-V114 HydrophobicContact CD2-CG2 4.21Å; L111-V114 HydrophobicContact CG-CG2 4.01Å; L111-V114 WeakPolarHBondContact O-CG2 3.49Å; L111-D118 HydrophobicContact CD2-CB 3.91Å; L111-I138 HydrophobicContact CD2-CD1 4.39Å
112	T	98.5	Very high	96.8	Very high	39 Å²	39	42 Å²	42	24%	0.239	23%	0.234	C	C	.	.			trans	-88.9	152	-179.1	59.4	0	0	0	0	112.6	V59 R96	V59-T112 HydrophobicContact CG1-CG2 4.18Å; V59-T112 HydrophobicContact CG2-CG2 4.09Å; R96-T112 WeakPolarHBondContact CA-OG1 2.94Å; R96-T112 WeakPolarHBondContact CD-O 3.01Å; R96-T112 PolarHBondContact O-N 2.88Å; R96-T112 PolarHBondContact O-OG1 2.93Å
113	N	97.8	Very high	96.9	Very high	109 Å²	109	39.9 Å²	39.9	58%	0.583	23%	0.225	S	C	*	.	S	Bend	trans	54.3	58.5	178.6	-170.9	42.4	0	0	0	110.7	E58 R96	E58-N113 PolarHBondContact O-N 2.74Å; R96-N113 PolarHBondContact NH1-O 2.64Å
114	V	98.2	Very high	97	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.212	C	C	.	.			trans	-66.4	135.7	-178.8	176.9	0	0	0	0	109.9	V54 G57 E58 A60 L111 D118 V140	V54-V114 HydrophobicContact CG1-CB 4.2Å; V54-V114 HydrophobicContact CG1-CG1 3.69Å; V54-V114 HydrophobicContact CG1-CG2 4.2Å; V54-V114 HydrophobicContact CG2-CB 4.48Å; V54-V114 HydrophobicContact CG2-CG2 4.24Å; G57-V114 PolarHBondContact N-O 2.67Å; E58-V114 WeakPolarHBondContact O-CG2 3.14Å; E58-V114 PolarHBondContact O-N 3.32Å; A60-V114 HydrophobicContact CB-CG2 3.77Å; L111-V114 HydrophobicContact CD2-CG2 4.21Å; L111-V114 HydrophobicContact CG-CG2 4.01Å; L111-V114 WeakPolarHBondContact O-CG2 3.49Å; V114-D118 HydrophobicContact CG1-CB 4.24Å; V114-V140 HydrophobicContact CG1-CG1 4.3Å; V114-V140 HydrophobicContact CG1-CG2 3.6Å
115	S	96.3	Very high	97.3	Very high	36 Å²	36	37.9 Å²	37.9	25%	0.252	21%	0.206	S	C	.	.			trans	-124.1	166.1	176	66.9	0	0	0	0	110.7	S117 D118	S115-S117 PolarHBondContact O-N 3.29Å; S115-S117 VanDerWaalsContact O-N 3.13Å; S115-S117 PolarHBondContact OG-OG 2.91Å; S115-D118 PolarHBondContact N-OD2 3.44Å; S115-D118 WeakPolarHBondContact O-CB 3.17Å; S115-D118 PolarHBondContact O-N 3.02Å; S115-D118 PolarHBondContact OG-OD2 2.96Å
116	I	94.7	Very high	97.4	Very high	45 Å²	45	35.2 Å²	35.2	23%	0.231	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.9	-179.8	-56.2	172.5	0	0	0	111.8	D118 E119 V142 D197	I116-D118 PolarHBondContact O-N 3.28Å; I116-E119 WeakPolarHBondContact O-CB 3.35Å; I116-E119 PolarHBondContact O-N 3.1Å; I116-V142 HydrophobicContact CD1-CG2 3.83Å; I116-V142 HydrophobicContact CG1-CG2 3.84Å; I116-D197 HydrophobicContact CG2-CB 4.44Å
117	S	95.3	Very high	97.3	Very high	106 Å²	106	39.1 Å²	39.1	74%	0.741	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-71.6	-12.9	179	62.1	0	0	0	0	114.2	S115 E119	S115-S117 PolarHBondContact O-N 3.29Å; S115-S117 VanDerWaalsContact O-N 3.13Å; S115-S117 PolarHBondContact OG-OG 2.91Å; S117-E119 VanDerWaalsContact C-N 3.3Å
118	D	97	Very high	97	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.059	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-84.1	-8.1	174.3	-60.8	-60.7	0	0	0	112.8	R96 L111 V114 S115 I116 Y122	R96-D118 IonicContact CZ-OD1 3.87Å; R96-D118 VanDerWaalsContact CZ-OD1 3.32Å; R96-D118 IonicContact CZ-OD2 3.44Å; R96-D118 IonicContact NH1-OD1 2.74Å; R96-D118 PolarHBondContact NH1-OD1 3.44Å; R96-D118 IonicContact NH1-OD2 2.66Å; R96-D118 PolarHBondContact NH1-OD2 2.84Å; R96-D118 IonicContact NH2-OD1 3.49Å; R96-D118 PolarHBondContact NH2-OD1 2.84Å; R96-D118 IonicContact NH2-OD2 2.81Å; L111-D118 HydrophobicContact CD2-CB 3.91Å; V114-D118 HydrophobicContact CG1-CB 4.24Å; S115-D118 PolarHBondContact N-OD2 3.44Å; S115-D118 WeakPolarHBondContact O-CB 3.17Å; S115-D118 PolarHBondContact O-N 3.02Å; S115-D118 PolarHBondContact OG-OD2 2.96Å; I116-D118 PolarHBondContact O-N 3.28Å; D118-Y122 VanDerWaalsContact O-CE2 3.29Å; D118-Y122 WeakPolarHBondContact O-CE2 3.4Å; D118-Y122 PolarHBondContact O-OH 2.95Å
119	E	97.2	Very high	96.5	Very high	63 Å²	63	45 Å²	45	29%	0.294	24%	0.237	S	C	.	.			trans	-62.8	142.5	179.1	-163.4	167.2	128.4	0	0	111.6	I116 S117 I138 V140 K172	I116-E119 WeakPolarHBondContact O-CB 3.35Å; I116-E119 PolarHBondContact O-N 3.1Å; S117-E119 VanDerWaalsContact C-N 3.3Å; E119-I138 WeakPolarHBondContact CG-O 3.35Å; E119-V140 HydrophobicContact CB-CG2 4.09Å; E119-V140 HydrophobicContact CG-CG2 4.47Å; E119-V140 PolarHBondContact OE2-N 2.95Å; E119-V140 VanDerWaalsContact OE2-N 3.09Å; E119-K172 IonicContact OE1-NZ 2.83Å; E119-K172 PolarHBondContact OE1-NZ 3.36Å; E119-K172 IonicContact OE2-NZ 3.22Å; E119-K172 PolarHBondContact OE2-NZ 2.9Å
120	G	97.3	Very high	96.1	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-169.5	174.7	0	0	0	0	0	114	Y122 T137 I138	G120-Y122 WeakPolarHBondContact O-CD2 3.43Å; G120-T137 WeakPolarHBondContact O-CA 3.5Å; G120-I138 PolarHBondContact N-O 2.85Å; G120-I138 VanDerWaalsContact N-O 3.13Å; G120-I138 PolarHBondContact O-N 2.79Å
121	R	98.4	Very high	95.8	Very high	135 Å²	135	54.1 Å²	54.1	51%	0.509	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.2	-176.6	-65.7	-174.9	-64.7	176.8	-1.2	110.8	P79 F123 Y135 T136	P79-R121 WeakPolarHBondContact CA-O 3.3Å; R121-F123 HydrophobicContact CB-CE1 4.46Å; R121-F123 HydrophobicContact CB-CE2 4.15Å; R121-F123 HydrophobicContact CB-CZ 3.88Å; R121-F123 WeakPolarHBondContact O-CD2 3.4Å; R121-F123 WeakPolarHBondContact O-CE2 3.46Å; R121-Y135 HydrophobicContact CB-CD2 4.41Å; R121-Y135 HydrophobicContact CG-CD2 4.07Å; R121-Y135 HydrophobicContact CG-CE2 4.45Å; R121-T136 WeakPolarHBondContact CA-O 3.47Å
122	Y	98.4	Very high	95.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.8	172	-68.9	-107.5	0	0	0	108.5	I62 L77 N78 P79 I84 F97 D118 G120 Y135 T136 I138	I62-Y122 HydrophobicContact CD1-CD1 3.72Å; I62-Y122 HydrophobicContact CD1-CE1 4.05Å; I62-Y122 HydrophobicContact CD1-CG 4.11Å; L77-Y122 CarbonylContact O-C 3.52Å; L77-Y122 WeakPolarHBondContact O-CA 3.37Å; N78-Y122 HydrophobicContact CB-CD1 4.45Å; N78-Y122 HydrophobicContact CB-CE1 4.22Å; P79-Y122 HydrophobicContact CG-CD2 4.17Å; P79-Y122 HydrophobicContact CG-CE2 3.82Å; I84-Y122 HydrophobicContact CD1-CD1 3.64Å; I84-Y122 HydrophobicContact CD1-CE1 3.76Å; F97-Y122 AromaticContact CE1-CE1 3.96Å; F97-Y122 HydrophobicContact CE1-CE1 3.96Å; F97-Y122 AromaticContact CZ-CE1 3.93Å; F97-Y122 HydrophobicContact CZ-CE1 3.93Å; D118-Y122 VanDerWaalsContact O-CE2 3.29Å; D118-Y122 WeakPolarHBondContact O-CE2 3.4Å; D118-Y122 PolarHBondContact O-OH 2.95Å; G120-Y122 WeakPolarHBondContact O-CD2 3.43Å; Y122-Y135 CarbonylContact O-C 3.57Å; Y122-Y135 WeakPolarHBondContact O-CA 3.33Å; Y122-Y135 WeakPolarHBondContact O-CB 3.3Å; Y122-T136 PolarHBondContact N-O 3.24Å; Y122-T136 PolarHBondContact O-N 2.83Å; Y122-I138 HydrophobicContact CD2-CB 4.28Å; Y122-I138 HydrophobicContact CD2-CD1 3.73Å; Y122-I138 HydrophobicContact CD2-CG1 3.67Å; Y122-I138 HydrophobicContact CE1-CD1 4.37Å; Y122-I138 HydrophobicContact CE2-CB 3.94Å; Y122-I138 HydrophobicContact CE2-CD1 3.39Å; Y122-I138 HydrophobicContact CE2-CG1 3.63Å; Y122-I138 HydrophobicContact CG-CD1 4.38Å
123	F	98.4	Very high	95.5	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.057	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	-170.2	-57.8	-91.4	0	0	0	110	L76 L77 R81 R121 E133	L76-F123 CarbonylContact C-O 3.56Å; L76-F123 WeakPolarHBondContact CA-O 3.31Å; L77-F123 HydrophobicContact CB-CB 4.3Å; L77-F123 HydrophobicContact CD1-CB 4.15Å; L77-F123 WeakPolarHBondContact CD1-O 3.46Å; L77-F123 PolarHBondContact N-O 2.75Å; L77-F123 PolarHBondContact O-N 2.59Å; R81-F123 HydrophobicContact CG-CE2 4.47Å; R121-F123 HydrophobicContact CB-CE1 4.46Å; R121-F123 HydrophobicContact CB-CE2 4.15Å; R121-F123 HydrophobicContact CB-CZ 3.88Å; R121-F123 WeakPolarHBondContact O-CD2 3.4Å; R121-F123 WeakPolarHBondContact O-CE2 3.46Å; F123-E133 HydrophobicContact CD1-CG 4.44Å
124	C	97.8	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	166.2	-62	0	0	0	0	107.8	L47 T49 C64 Q75 E133 S134	L47-C124 HydrophobicContact CD1-CB 4.2Å; L47-C124 HydrophobicContact CD2-CB 3.94Å; L47-C124 VanDerWaalsContact CD2-O 3.23Å; L47-C124 WeakPolarHBondContact CD2-O 3.26Å; L47-C124 HydrophobicContact CG-CB 4.39Å; T49-C124 HydrophobicContact CG2-CB 3.94Å; T49-C124 WeakPolarHBondContact CG2-SG 3.25Å; C64-C124 HydrophobicContact CB-CB 3.7Å; C64-C124 WeakPolarHBondContact CB-SG 3.44Å; C64-C124 WeakPolarHBondContact SG-CB 3.34Å; C64-C124 CovalentContact SG-SG 2.03Å; C64-C124 PolarHBondContact SG-SG 3.02Å; Q75-C124 CarbonylContact O-C 3.02Å; Q75-C124 WeakPolarHBondContact O-CA 3.1Å; C124-E133 WeakPolarHBondContact O-CA 3.26Å; C124-S134 PolarHBondContact N-O 3.25Å; C124-S134 PolarHBondContact O-N 3.2Å; C124-S134 VanDerWaalsContact O-O 3.06Å
125	Q	97	Very high	95.4	Very high	46 Å²	46	60.9 Å²	60.9	22%	0.215	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	173.6	-70.3	-177.9	-16.6	0	0	109.2	Q75 L77 Q132 E133	Q75-Q125 HydrophobicContact CB-CB 4.4Å; Q75-Q125 PolarHBondContact N-O 2.98Å; Q75-Q125 PolarHBondContact O-N 3.36Å; Q75-Q125 VanDerWaalsContact OE1-OE1 3.07Å; L77-Q125 HydrophobicContact CD1-CB 4.14Å; L77-Q125 VanDerWaalsContact CD1-CD 3.5Å; L77-Q125 HydrophobicContact CD1-CG 3.63Å; Q125-Q132 WeakPolarHBondContact CA-O 3.35Å; Q125-E133 HydrophobicContact CG-CB 4.4Å; Q125-E133 HydrophobicContact CG-CG 4.05Å; Q125-E133 PolarHBondContact NE2-OE2 3.33Å
126	L	96.1	Very high	95.5	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.5	175.1	-178.6	71.1	0	0	0	108.5	Q45 L47 V66 V73 I74 T128 Q132	Q45-L126 HydrophobicContact CB-CD2 4.08Å; L47-L126 HydrophobicContact CB-CB 4.38Å; L47-L126 HydrophobicContact CB-CD2 4.33Å; L47-L126 HydrophobicContact CD1-CB 4.46Å; L47-L126 HydrophobicContact CD2-CB 3.93Å; L47-L126 HydrophobicContact CG-CB 4.49Å; V66-L126 HydrophobicContact CG1-CD1 4.46Å; V66-L126 HydrophobicContact CG1-CD2 3.81Å; V66-L126 HydrophobicContact CG2-CD1 3.85Å; V66-L126 HydrophobicContact CG2-CD2 4.15Å; V73-L126 WeakPolarHBondContact O-CA 3.39Å; I74-L126 HydrophobicContact CG1-CD1 3.88Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 HydrophobicContact CD2-CG2 3.99Å; L126-T128 HydrophobicContact CG-CG2 4.04Å; L126-T128 PolarHBondContact O-N 3.17Å; L126-Q132 HydrophobicContact CB-CB 4.24Å; L126-Q132 PolarHBondContact N-O 3.2Å; L126-Q132 PolarHBondContact O-N 2.68Å
127	Y	93.3	Very high	95.6	Very high	112 Å²	112	58.9 Å²	58.9	44%	0.439	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	77.1	-176.9	-73.8	-91.6	0	0	0	111.5	V73 Q75 F86	V73-Y127 HydrophobicContact CB-CD2 4.13Å; V73-Y127 HydrophobicContact CG1-CD2 4.12Å; V73-Y127 WeakPolarHBondContact O-CD2 3.3Å; V73-Y127 PolarHBondContact O-N 3.36Å; Q75-Y127 HydrophobicContact CB-CE2 3.91Å; Q75-Y127 PolarHBondContact OE1-OH 2.95Å; F86-Y127 HydrophobicContact CD2-CE2 4.35Å; F86-Y127 HydrophobicContact CE2-CD2 4.37Å; F86-Y127 AromaticContact CE2-CE2 3.8Å; F86-Y127 HydrophobicContact CE2-CE2 3.8Å
128	T	91.9	Very high	95.8	Very high	28 Å²	28	53.8 Å²	53.8	17%	0.172	27%	0.274	C	S	.	.			trans	-105.7	176.4	168	48.8	0	0	0	0	110.9	Q45 S72 L126 P130 P131	Q45-T128 VanDerWaalsContact NE2-CG2 3.28Å; S72-T128 WeakPolarHBondContact OG-CG2 3.28Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 HydrophobicContact CD2-CG2 3.99Å; L126-T128 HydrophobicContact CG-CG2 4.04Å; L126-T128 PolarHBondContact O-N 3.17Å; T128-P130 VanDerWaalsContact C-C 3.41Å; T128-P130 CarbonylContact C-O 3.26Å; T128-P130 VanDerWaalsContact C-O 3.26Å; T128-P130 WeakPolarHBondContact CB-O 3.33Å; T128-P130 CarbonylContact O-C 3.54Å; T128-P130 PolarHBondContact OG1-O 3.39Å; T128-P131 WeakPolarHBondContact O-CA 3.36Å
129	D	88.3	Confident	95.8	Very high	167 Å²	167	55.7 Å²	55.7	89%	0.893	29%	0.286	S	S	*	.	S	Bend	trans	-112.6	104.1	167.9	-173.3	15.1	0	0	0	109.7
130	P	90.3	Very high	95.8	Very high	97 Å²	97	52.7 Å²	52.7	63%	0.63	27%	0.272	S	S	*	.	S	Bend	cis	-75.8	161.7	-0.9	32.6	-36.1	0	0	0	113.2	T128	T128-P130 VanDerWaalsContact C-C 3.41Å; T128-P130 CarbonylContact C-O 3.26Å; T128-P130 VanDerWaalsContact C-O 3.26Å; T128-P130 WeakPolarHBondContact CB-O 3.33Å; T128-P130 CarbonylContact O-C 3.54Å; T128-P130 PolarHBondContact OG1-O 3.39Å
131	P	91.6	Very high	95.8	Very high	103 Å²	103	52.6 Å²	52.6	67%	0.669	27%	0.266	S	S	*	.			trans	-64.1	141.8	177.5	-16.9	28.5	0	0	0	111.3	T128	T128-P131 WeakPolarHBondContact O-CA 3.36Å
132	Q	94.3	Very high	95.7	Very high	54 Å²	54	46.4 Å²	46.4	25%	0.252	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.6	173.2	-61.5	178.7	46	0	0	110.3	Q45 L47 Q125 L126	Q45-Q132 PolarHBondContact O-NE2 3.43Å; Q45-Q132 PolarHBondContact O-OE1 2.82Å; Q45-Q132 VanDerWaalsContact O-OE1 3.07Å; L47-Q132 HydrophobicContact CB-CB 4.4Å; Q125-Q132 WeakPolarHBondContact CA-O 3.35Å; L126-Q132 HydrophobicContact CB-CB 4.24Å; L126-Q132 PolarHBondContact N-O 3.2Å; L126-Q132 PolarHBondContact O-N 2.68Å
133	E	95.4	Very high	95.6	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.4	174.3	-174.5	176	92.2	0	0	108.7	R81 F123 C124 Q125	R81-E133 IonicContact CZ-OE2 2.64Å; R81-E133 IonicContact NH1-OE1 2.82Å; R81-E133 IonicContact NH1-OE2 2.68Å; R81-E133 PolarHBondContact NH1-OE2 3.11Å; R81-E133 IonicContact NH2-OE1 3Å; R81-E133 PolarHBondContact NH2-OE1 2.92Å; R81-E133 IonicContact NH2-OE2 3.93Å; F123-E133 HydrophobicContact CD1-CG 4.44Å; C124-E133 WeakPolarHBondContact O-CA 3.26Å; Q125-E133 HydrophobicContact CG-CB 4.4Å; Q125-E133 HydrophobicContact CG-CG 4.05Å; Q125-E133 PolarHBondContact NE2-OE2 3.33Å
134	S	96.8	Very high	95.4	Very high	29 Å²	29	47.3 Å²	47.3	20%	0.203	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.5	167.6	-168.9	0	0	0	0	108.2	T49 C124	T49-S134 PolarHBondContact OG1-OG 3.01Å; C124-S134 PolarHBondContact N-O 3.25Å; C124-S134 PolarHBondContact O-N 3.2Å; C124-S134 VanDerWaalsContact O-O 3.06Å
135	Y	97.1	Very high	94.7	Very high	113 Å²	113	55.9 Å²	55.9	44%	0.443	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.5	177.3	66.5	-92.8	0	0	0	111.7	T49 R121 Y122	T49-Y135 VanDerWaalsContact OG1-C 3.32Å; T49-Y135 PolarHBondContact OG1-O 3.1Å; R121-Y135 HydrophobicContact CB-CD2 4.41Å; R121-Y135 HydrophobicContact CG-CD2 4.07Å; R121-Y135 HydrophobicContact CG-CE2 4.45Å; Y122-Y135 CarbonylContact O-C 3.57Å; Y122-Y135 WeakPolarHBondContact O-CA 3.33Å; Y122-Y135 WeakPolarHBondContact O-CB 3.3Å
136	T	98	Very high	94.2	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.3	166.9	176.8	0	0	0	0	108.8	K50 D51 I62 R121 Y122	K50-T136 PolarHBondContact O-OG1 2.88Å; D51-T136 WeakPolarHBondContact CA-OG1 2.89Å; I62-T136 HydrophobicContact CG2-CG2 3.9Å; R121-T136 WeakPolarHBondContact CA-O 3.47Å; Y122-T136 PolarHBondContact N-O 3.24Å; Y122-T136 PolarHBondContact O-N 2.83Å
137	T	98.3	Very high	94.2	Very high	38 Å²	38	60.6 Å²	60.6	23%	0.233	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.7	170.5	-48.6	0	0	0	0	108.4	D51 V52 G120	D51-T137 WeakPolarHBondContact OD1-CB 3.22Å; D51-T137 PolarHBondContact OD1-N 2.79Å; D51-T137 PolarHBondContact OD1-OG1 2.86Å; V52-T137 PolarHBondContact N-O 2.85Å; G120-T137 WeakPolarHBondContact O-CA 3.5Å
138	I	98.3	Very high	94.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.8	161.7	-60.8	-172.1	0	0	0	106.5	V52 V54 A60 I62 L111 E119 G120 Y122 V140	V52-I138 HydrophobicContact CB-CG1 4.36Å; V52-I138 CarbonylContact O-C 3.56Å; V52-I138 VanDerWaalsContact O-CA 3.32Å; V52-I138 WeakPolarHBondContact O-CA 3.06Å; V54-I138 HydrophobicContact CG1-CG2 3.99Å; A60-I138 HydrophobicContact CB-CD1 4.16Å; I62-I138 HydrophobicContact CD1-CD1 3.88Å; I62-I138 HydrophobicContact CG1-CD1 3.9Å; L111-I138 HydrophobicContact CD2-CD1 4.39Å; E119-I138 WeakPolarHBondContact CG-O 3.35Å; G120-I138 PolarHBondContact N-O 2.85Å; G120-I138 VanDerWaalsContact N-O 3.13Å; G120-I138 PolarHBondContact O-N 2.79Å; Y122-I138 HydrophobicContact CD2-CB 4.28Å; Y122-I138 HydrophobicContact CD2-CD1 3.73Å; Y122-I138 HydrophobicContact CD2-CG1 3.67Å; Y122-I138 HydrophobicContact CE1-CD1 4.37Å; Y122-I138 HydrophobicContact CE2-CB 3.94Å; Y122-I138 HydrophobicContact CE2-CD1 3.39Å; Y122-I138 HydrophobicContact CE2-CG1 3.63Å; Y122-I138 HydrophobicContact CG-CD1 4.38Å; I138-V140 HydrophobicContact CG2-CG2 4.32Å
139	T	97.8	Very high	94.6	Very high	50 Å²	50	60.1 Å²	60.1	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.3	172.7	-58.5	0	0	0	0	108.7	V52 T53 V54	V52-T139 PolarHBondContact O-N 3.33Å; T53-T139 WeakPolarHBondContact CA-O 2.88Å; V54-T139 PolarHBondContact N-O 3.02Å
140	V	97.8	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127	-177.6	-174.8	0	0	0	0	109.6	V54 E56 V114 E119 I138	V54-V140 HydrophobicContact CG1-CG2 4.35Å; V54-V140 CarbonylContact O-C 3.58Å; V54-V140 WeakPolarHBondContact O-CA 3.3Å; E56-V140 HydrophobicContact CB-CG1 4.12Å; V114-V140 HydrophobicContact CG1-CG1 4.3Å; V114-V140 HydrophobicContact CG1-CG2 3.6Å; E119-V140 HydrophobicContact CB-CG2 4.09Å; E119-V140 HydrophobicContact CG-CG2 4.47Å; E119-V140 PolarHBondContact OE2-N 2.95Å; E119-V140 VanDerWaalsContact OE2-N 3.09Å; I138-V140 HydrophobicContact CG2-CG2 4.32Å
141	L	97.4	Very high	95.1	Very high	20 Å²	20	51.9 Å²	51.9	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.1	174.6	-54.8	178.7	0	0	0	110.3	T53 V54 I55 E56 K172 P225 A226	T53-L141 HydrophobicContact CG2-CD1 3.47Å; T53-L141 VanDerWaalsContact CG2-CD1 3.47Å; T53-L141 HydrophobicContact CG2-CD2 3.87Å; T53-L141 HydrophobicContact CG2-CG 3.49Å; T53-L141 VanDerWaalsContact CG2-CG 3.49Å; V54-L141 PolarHBondContact O-N 3.27Å; I55-L141 WeakPolarHBondContact CA-O 3.49Å; E56-L141 PolarHBondContact N-O 2.93Å; L141-K172 CarbonylContact C-O 3.56Å; L141-K172 VanDerWaalsContact CA-O 3.3Å; L141-K172 WeakPolarHBondContact CA-O 3.44Å; L141-P225 HydrophobicContact CD1-CB 4.02Å; L141-A226 HydrophobicContact CB-CB 3.79Å; L141-A226 HydrophobicContact CD1-CB 4.06Å
142	V	96.1	Very high	94.9	Very high	5 Å²	5	53 Å²	53	3%	0.03	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-121.6	104.8	177.6	-174.4	0	0	0	0	108.1	E56 I116 S171 K172 M198 H224	E56-V142 HydrophobicContact CB-CG2 4.23Å; I116-V142 HydrophobicContact CD1-CG2 3.83Å; I116-V142 HydrophobicContact CG1-CG2 3.84Å; V142-S171 CarbonylContact O-C 3.59Å; V142-S171 VanDerWaalsContact O-CA 3.27Å; V142-S171 WeakPolarHBondContact O-CA 3.32Å; V142-K172 HydrophobicContact CB-CB 3.9Å; V142-K172 HydrophobicContact CG2-CB 3.99Å; V142-K172 PolarHBondContact N-O 2.82Å; V142-K172 PolarHBondContact O-N 2.97Å; V142-M198 HydrophobicContact CG1-SD 4.07Å; V142-H224 PolarHBondContact O-CE1 2.84Å; V142-H224 VanDerWaalsContact O-CE1 3.29Å; V142-H224 PolarHBondContact O-NE2 3Å
143	P	95.3	Very high	94.6	Very high	30 Å²	30	54.3 Å²	54.3	20%	0.195	26%	0.263	C	S	.	.			trans	-70.2	146.3	175.1	28.8	-33	0	0	0	110.6	I55 R145 A226 V227	I55-P143 HydrophobicContact CG2-CG 4.33Å; P143-R145 PolarHBondContact O-N 2.98Å; P143-A226 HydrophobicContact CB-CB 4.14Å; P143-A226 HydrophobicContact CG-CB 4.3Å; P143-V227 HydrophobicContact CB-CG2 3.86Å
144	P	94.6	Very high	94.2	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.032	27%	0.272	C	S	.	.			trans	-65.3	130.8	174.7	28.5	-34	0	0	0	109.6	L147 A168 M169 T175 V222 L231	P144-L147 HydrophobicContact CB-CD2 4.33Å; P144-L147 HydrophobicContact CG-CD2 4.41Å; P144-A168 HydrophobicContact CB-CB 4.25Å; P144-M169 WeakPolarHBondContact CB-O 3.08Å; P144-T175 HydrophobicContact CB-CG2 4.32Å; P144-T175 HydrophobicContact CG-CG2 3.58Å; P144-V222 HydrophobicContact CG-CG1 4.04Å; P144-L231 HydrophobicContact CG-CD2 3.72Å
145	R	82.9	Confident	94.1	Very high	180 Å²	180	56.1 Å²	56.1	68%	0.679	28%	0.275	S	S	*	.			trans	-93	-25.9	-177.7	-60.4	-173.8	-172.6	-174.1	4.3	113.2	E56 P143	E56-R145 IonicContact OE2-CZ 3.57Å; E56-R145 IonicContact OE2-NH2 3.47Å; E56-R145 PolarHBondContact OE2-NH2 3.15Å; P143-R145 PolarHBondContact O-N 2.98Å
146	N	86.3	Confident	94	Very high	116 Å²	116	50.9 Å²	50.9	62%	0.62	26%	0.255	S	S	*	.			trans	-128.1	114.2	-175.4	-62.3	-39.9	0	0	0	109.9
147	L	95.9	Very high	93.9	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	168.8	-58.1	-173.2	0	0	0	108.9	P144 T167 A168 V222 L231 T233	P144-L147 HydrophobicContact CB-CD2 4.33Å; P144-L147 HydrophobicContact CG-CD2 4.41Å; L147-T167 WeakPolarHBondContact CA-O 3.44Å; L147-A168 HydrophobicContact CD2-CB 3.59Å; L147-V222 HydrophobicContact CD1-CB 4.14Å; L147-V222 HydrophobicContact CD1-CG2 3.56Å; L147-V222 HydrophobicContact CD2-CB 4.31Å; L147-V222 HydrophobicContact CD2-CG2 3.57Å; L147-V222 HydrophobicContact CG-CG2 4.21Å; L147-L231 HydrophobicContact CD1-CD1 4.41Å; L147-L231 HydrophobicContact CD1-CD2 4.48Å; L147-L231 HydrophobicContact CD1-CG 3.9Å; L147-L231 HydrophobicContact CG-CG 4.5Å; L147-T233 HydrophobicContact CB-CG2 3.51Å; L147-T233 HydrophobicContact CD1-CG2 4.29Å
148	M	96.4	Very high	93.8	Very high	108 Å²	108	55.2 Å²	55.2	53%	0.532	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.5	179.4	-173.5	177.7	72.7	0	0	109.5	C166 T167	M148-C166 CarbonylContact O-C 3.58Å; M148-C166 VanDerWaalsContact O-CA 3.26Å; M148-C166 WeakPolarHBondContact O-CA 3.45Å; M148-T167 PolarHBondContact N-O 2.88Å; M148-T167 VanDerWaalsContact N-O 3.07Å; M148-T167 PolarHBondContact O-N 2.86Å
149	I	97.1	Very high	93.7	Very high	23 Å²	23	57.1 Å²	57.1	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.3	165.4	-67.6	169	0	0	0	107.9	I151 V164 N165 C166 W179 C220 T233 R235	I149-I151 HydrophobicContact CG2-CG1 4.26Å; I149-V164 HydrophobicContact CG2-CG1 3.6Å; I149-N165 CarbonylContact C-O 3.56Å; I149-N165 VanDerWaalsContact CA-O 3.24Å; I149-N165 WeakPolarHBondContact CA-O 3.39Å; I149-C166 HydrophobicContact CG1-CB 4.2Å; I149-W179 HydrophobicContact CD1-CZ3 4.23Å; I149-W179 HydrophobicContact CG1-CH2 4.39Å; I149-W179 HydrophobicContact CG1-CZ3 4.29Å; I149-C220 HydrophobicContact CD1-CB 3.72Å; I149-C220 HydrophobicContact CG1-CB 3.87Å; I149-T233 HydrophobicContact CD1-CG2 3.78Å; I149-T233 HydrophobicContact CG1-CG2 3.74Å; I149-R235 HydrophobicContact CB-CB 4.22Å; I149-R235 HydrophobicContact CD1-CB 4.34Å; I149-R235 HydrophobicContact CG2-CB 3.84Å; I149-R235 HydrophobicContact CG2-CG 4.46Å
150	D	96.1	Very high	93.6	Very high	74 Å²	74	57.8 Å²	57.8	40%	0.396	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	172.5	-176.2	48.5	0	0	0	109.7	V164 N165	D150-V164 WeakPolarHBondContact O-CA 3.34Å; D150-N165 PolarHBondContact N-O 2.84Å; D150-N165 PolarHBondContact O-N 2.84Å
151	I	94.1	Very high	93.5	Very high	17 Å²	17	63.4 Å²	63.4	9%	0.087	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.9	175.9	-56	177.2	0	0	0	105.9	I149 K153 I162 V164 R235 L237	I149-I151 HydrophobicContact CG2-CG1 4.26Å; I151-K153 WeakPolarHBondContact CG2-O 3.2Å; I151-K153 PolarHBondContact O-N 3.43Å; I151-I162 HydrophobicContact CG2-CD1 4.22Å; I151-V164 HydrophobicContact CG1-CG1 4.08Å; I151-V164 HydrophobicContact CG1-CG2 4.37Å; I151-V164 HydrophobicContact CG2-CG2 4.43Å; I151-R235 HydrophobicContact CD1-CB 4.13Å; I151-R235 HydrophobicContact CD1-CG 3.45Å; I151-R235 VanDerWaalsContact CD1-CG 3.45Å; I151-R235 HydrophobicContact CG1-CG 4.18Å; I151-L237 HydrophobicContact CD1-CD2 4.13Å
152	Q	88.3	Confident	93.4	Very high	125 Å²	125	62.9 Å²	62.9	58%	0.584	32%	0.319	S	S	*	.	S	Bend	trans	-55.2	-25.3	-177.4	-74.6	-77	-4.8	0	0	113.1	E163	Q152-E163 HydrophobicContact CG-CB 4.08Å; Q152-E163 HydrophobicContact CG-CG 4.4Å; Q152-E163 PolarHBondContact N-O 2.88Å
153	K	88	Confident	93.4	Very high	82 Å²	82	65.2 Å²	65.2	36%	0.357	33%	0.33	S	S	.	.			trans	-133.3	109.5	178.2	-166.4	-174.8	-171.6	-174.3	0	110.9	I151 T155 E160	I151-K153 WeakPolarHBondContact CG2-O 3.2Å; I151-K153 PolarHBondContact O-N 3.43Å; K153-T155 WeakPolarHBondContact CD-O 3.48Å; K153-T155 WeakPolarHBondContact CE-O 3.46Å; K153-T155 WeakPolarHBondContact CG-O 3.34Å; K153-T155 PolarHBondContact O-N 3.42Å; K153-T155 VanDerWaalsContact O-N 3.14Å; K153-E160 IonicContact NZ-OE1 2.74Å; K153-E160 PolarHBondContact NZ-OE1 2.91Å; K153-E160 IonicContact NZ-OE2 2.67Å; K153-E160 PolarHBondContact NZ-OE2 2.85Å
154	D	86.4	Confident	93.5	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	32%	0.32	S	S	*	.	S	Bend	trans	-58.5	-28.7	-178.5	-74.2	-48.3	0	0	0	113.9
155	T	93.8	Very high	93.6	Very high	43 Å²	43	64.6 Å²	64.6	26%	0.264	32%	0.324	S	S	.	.	S	Bend	trans	-132.4	115	179.9	-50.9	0	0	0	0	111.3	K153 E238 Q240	K153-T155 WeakPolarHBondContact CD-O 3.48Å; K153-T155 WeakPolarHBondContact CE-O 3.46Å; K153-T155 WeakPolarHBondContact CG-O 3.34Å; K153-T155 PolarHBondContact O-N 3.42Å; K153-T155 VanDerWaalsContact O-N 3.14Å; T155-E238 HydrophobicContact CG2-CG 4.09Å; T155-Q240 HydrophobicContact CG2-CG 3.6Å
156	A	95.4	Very high	94.3	Very high	3 Å²	3	56 Å²	56	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	155.9	-179.4	0	0	0	0	0	111.6	I162 V209 E238 V239 Q240	A156-I162 HydrophobicContact CB-CD1 4.47Å; A156-I162 HydrophobicContact CB-CG2 3.71Å; A156-V209 HydrophobicContact CB-CB 4.4Å; A156-V209 HydrophobicContact CB-CG1 4.11Å; A156-V209 HydrophobicContact CB-CG2 3.68Å; A156-E238 PolarHBondContact N-O 2.8Å; A156-V239 CarbonylContact O-C 3.56Å; A156-V239 WeakPolarHBondContact O-CA 3.41Å; A156-Q240 PolarHBondContact O-N 2.81Å
157	V	96.4	Very high	94.9	Very high	53 Å²	53	51.4 Å²	51.4	32%	0.321	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.8	170.7	178.4	0	0	0	0	109.5	G159 E160 V209 Q240 V319	V157-G159 PolarHBondContact O-N 2.97Å; V157-E160 PolarHBondContact N-OE2 2.78Å; V157-E160 WeakPolarHBondContact O-CB 3.45Å; V157-E160 PolarHBondContact O-N 3.22Å; V157-V209 WeakPolarHBondContact O-CG2 3.42Å; V157-Q240 CarbonylContact C-O 3.57Å; V157-Q240 WeakPolarHBondContact CA-O 3.27Å; V157-V319 HydrophobicContact CG1-CG1 3.62Å
158	E	96.6	Very high	94.9	Very high	77 Å²	77	50 Å²	50	36%	0.36	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	128.5	176.5	178.9	-179.1	-146.3	0	0	112.3	E160 K211 V239 Q240	E158-E160 VanDerWaalsContact C-N 3.33Å; E158-K211 WeakPolarHBondContact OE1-CG 3.49Å; E158-V239 HydrophobicContact CB-CG1 4.42Å; E158-Q240 PolarHBondContact N-O 3.16Å
159	G	95.3	Very high	94.8	Very high	40 Å²	40	49.3 Å²	49.3	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-9.8	-177.6	0	0	0	0	0	114.9	V157 K208 V209	V157-G159 PolarHBondContact O-N 2.97Å; G159-K208 WeakPolarHBondContact O-CE 3.22Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.77Å
160	E	95.4	Very high	94.6	Very high	63 Å²	63	50 Å²	50	29%	0.294	27%	0.266	S	S	.	.			trans	-68.8	150.5	173.2	-169.9	171.2	-165.8	0	0	111.3	K153 V157 E158 I162 K208 V209	K153-E160 IonicContact NZ-OE1 2.74Å; K153-E160 PolarHBondContact NZ-OE1 2.91Å; K153-E160 IonicContact NZ-OE2 2.67Å; K153-E160 PolarHBondContact NZ-OE2 2.85Å; V157-E160 PolarHBondContact N-OE2 2.78Å; V157-E160 WeakPolarHBondContact O-CB 3.45Å; V157-E160 PolarHBondContact O-N 3.22Å; E158-E160 VanDerWaalsContact C-N 3.33Å; E160-I162 HydrophobicContact CG-CG2 4.31Å; E160-K208 CarbonylContact O-C 3.5Å; E160-K208 WeakPolarHBondContact O-CA 3.43Å; E160-V209 HydrophobicContact CB-CG2 4.15Å; E160-V209 WeakPolarHBondContact O-CG2 3.36Å; E160-V209 PolarHBondContact O-N 2.77Å
161	E	95.8	Very high	94.6	Very high	119 Å²	119	46.4 Å²	46.4	56%	0.556	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.6	171	-167.4	172.1	-109.6	0	0	108.6	M206 L207	E161-M206 HydrophobicContact CG-CB 4.44Å; E161-M206 HydrophobicContact CG-CE 4.09Å; E161-L207 WeakPolarHBondContact CA-O 3.42Å
162	I	95.1	Very high	94.7	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.046	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.9	-178.7	65.1	172.4	0	0	0	111.1	I151 A156 E160 V164 L207 V209 L237	I151-I162 HydrophobicContact CG2-CD1 4.22Å; A156-I162 HydrophobicContact CB-CD1 4.47Å; A156-I162 HydrophobicContact CB-CG2 3.71Å; E160-I162 HydrophobicContact CG-CG2 4.31Å; I162-V164 HydrophobicContact CD1-CG2 4.07Å; I162-V164 HydrophobicContact CG1-CG2 4.21Å; I162-L207 HydrophobicContact CG1-CB 4.26Å; I162-L207 PolarHBondContact N-O 3.01Å; I162-L207 PolarHBondContact O-N 3.05Å; I162-V209 HydrophobicContact CD1-CG1 3.69Å; I162-V209 HydrophobicContact CG1-CG1 3.88Å; I162-L237 HydrophobicContact CD1-CD2 3.91Å
163	E	96.3	Very high	95.1	Very high	53 Å²	53	43.5 Å²	43.5	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.2	172.9	-173.8	-176.7	142.9	0	0	110.2	Q152 N165 Q204 M206	Q152-E163 HydrophobicContact CG-CB 4.08Å; Q152-E163 HydrophobicContact CG-CG 4.4Å; Q152-E163 PolarHBondContact N-O 2.88Å; E163-N165 PolarHBondContact OE1-ND2 2.71Å; E163-N165 PolarHBondContact OE1-OD1 2.65Å; E163-Q204 HydrophobicContact CG-CG 3.71Å; E163-Q204 PolarHBondContact OE1-NE2 3.14Å; E163-Q204 PolarHBondContact OE2-NE2 2.83Å; E163-M206 HydrophobicContact CB-SD 3.92Å; E163-M206 HydrophobicContact CG-SD 4.04Å
164	V	96.9	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.4	176.5	-172.8	0	0	0	0	108.6	I149 D150 I151 I162 W179 L205	I149-V164 HydrophobicContact CG2-CG1 3.6Å; D150-V164 WeakPolarHBondContact O-CA 3.34Å; I151-V164 HydrophobicContact CG1-CG1 4.08Å; I151-V164 HydrophobicContact CG1-CG2 4.37Å; I151-V164 HydrophobicContact CG2-CG2 4.43Å; I162-V164 HydrophobicContact CD1-CG2 4.07Å; I162-V164 HydrophobicContact CG1-CG2 4.21Å; V164-W179 HydrophobicContact CB-CH2 4.36Å; V164-W179 HydrophobicContact CG1-CH2 3.65Å; V164-W179 HydrophobicContact CG1-CZ3 3.88Å; V164-L205 HydrophobicContact CB-CB 4.36Å; V164-L205 PolarHBondContact N-O 2.82Å; V164-L205 PolarHBondContact O-N 2.83Å
165	N	97.7	Very high	96	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.4	-179.5	-69	-34.5	0	0	0	110.1	I149 D150 E163 T202 S203 Q204	I149-N165 CarbonylContact C-O 3.56Å; I149-N165 VanDerWaalsContact CA-O 3.24Å; I149-N165 WeakPolarHBondContact CA-O 3.39Å; D150-N165 PolarHBondContact N-O 2.84Å; D150-N165 PolarHBondContact O-N 2.84Å; E163-N165 PolarHBondContact OE1-ND2 2.71Å; E163-N165 PolarHBondContact OE1-OD1 2.65Å; N165-T202 HydrophobicContact CB-CG2 4.44Å; N165-S203 CarbonylContact C-O 3.46Å; N165-S203 WeakPolarHBondContact CA-O 3.42Å; N165-Q204 WeakPolarHBondContact OD1-CA 3.3Å; N165-Q204 WeakPolarHBondContact OD1-CB 3.38Å; N165-Q204 WeakPolarHBondContact OD1-CG 3.45Å
166	C	97.7	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.3	168.1	179.5	0	0	0	0	109.6	M148 I149 I177 W179 T202 S203 C220	M148-C166 CarbonylContact O-C 3.58Å; M148-C166 VanDerWaalsContact O-CA 3.26Å; M148-C166 WeakPolarHBondContact O-CA 3.45Å; I149-C166 HydrophobicContact CG1-CB 4.2Å; C166-I177 HydrophobicContact CB-CG2 4.35Å; C166-I177 WeakPolarHBondContact O-CD1 3.39Å; C166-W179 HydrophobicContact CB-CH2 3.28Å; C166-W179 HydrophobicContact CB-CZ2 3.33Å; C166-W179 HydrophobicContact CB-CZ3 4.1Å; C166-T202 CarbonylContact O-C 3.16Å; C166-T202 VanDerWaalsContact O-CA 3.31Å; C166-T202 WeakPolarHBondContact O-CA 3.27Å; C166-S203 PolarHBondContact N-O 2.85Å; C166-S203 PolarHBondContact O-N 2.74Å; C166-C220 HydrophobicContact CB-CB 3.57Å; C166-C220 WeakPolarHBondContact CB-SG 3.36Å; C166-C220 WeakPolarHBondContact SG-CB 3.34Å; C166-C220 CovalentContact SG-SG 2.01Å; C166-C220 PolarHBondContact SG-SG 3.13Å
167	T	97.4	Very high	96.2	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.1	179.8	-56.2	0	0	0	0	110	L147 M148 M169 T200 V201 T202	L147-T167 WeakPolarHBondContact CA-O 3.44Å; M148-T167 PolarHBondContact N-O 2.88Å; M148-T167 VanDerWaalsContact N-O 3.07Å; M148-T167 PolarHBondContact O-N 2.86Å; T167-M169 HydrophobicContact CG2-CG 3.67Å; T167-T200 HydrophobicContact CG2-CG2 3.62Å; T167-V201 WeakPolarHBondContact CA-O 3.36Å; T167-T202 WeakPolarHBondContact CG2-OG1 3.29Å; T167-T202 PolarHBondContact OG1-OG1 3.45Å; T167-T202 VanDerWaalsContact OG1-OG1 3.13Å
168	A	97.1	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.6	168.1	0	0	0	0	0	108.4	P144 L147 T175 I177 T200 V201 V222	P144-A168 HydrophobicContact CB-CB 4.25Å; L147-A168 HydrophobicContact CD2-CB 3.59Å; A168-T175 WeakPolarHBondContact CB-OG1 3.17Å; A168-I177 HydrophobicContact CB-CD1 4.1Å; A168-I177 HydrophobicContact CB-CG1 4.46Å; A168-T200 WeakPolarHBondContact O-CA 3.36Å; A168-V201 PolarHBondContact N-O 3.07Å; A168-V201 PolarHBondContact O-N 3.14Å; A168-V222 HydrophobicContact CB-CG1 4.4Å; A168-V222 HydrophobicContact CB-CG2 4.34Å
169	M	94.4	Very high	96.2	Very high	94 Å²	94	35.6 Å²	35.6	46%	0.463	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	152.9	-175.2	-56.8	-178	83.6	0	0	111.8	P144 T167 T200	P144-M169 WeakPolarHBondContact CB-O 3.08Å; T167-M169 HydrophobicContact CG2-CG 3.67Å; M169-T200 HydrophobicContact CG-CG2 4.2Å
170	A	92.8	Very high	96.3	Very high	37 Å²	37	35.2 Å²	35.2	31%	0.306	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.9	56.4	163.9	0	0	0	0	0	113.5	M198 Y199	A170-M198 VanDerWaalsContact C-CG 3.41Å; A170-M198 WeakPolarHBondContact CA-SD 3.28Å; A170-M198 HydrophobicContact CB-CE 3.36Å; A170-M198 HydrophobicContact CB-CG 4.41Å; A170-M198 HydrophobicContact CB-SD 3.62Å; A170-Y199 PolarHBondContact N-O 2.88Å
171	S	95.9	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.5	178.8	62.6	0	0	0	0	113.5	V142 P173 T175 M198 Y199	V142-S171 CarbonylContact O-C 3.59Å; V142-S171 VanDerWaalsContact O-CA 3.27Å; V142-S171 WeakPolarHBondContact O-CA 3.32Å; S171-P173 CarbonylContact C-O 3.59Å; S171-P173 PolarHBondContact OG-O 2.96Å; S171-T175 VanDerWaalsContact CB-CG2 3.41Å; S171-T175 WeakPolarHBondContact OG-CG2 3.32Å; S171-M198 WeakPolarHBondContact O-CG 3.49Å; S171-Y199 PolarHBondContact N-O 2.83Å; S171-Y199 WeakPolarHBondContact O-CD2 3.44Å; S171-Y199 PolarHBondContact O-N 3.01Å; S171-Y199 PolarHBondContact OG-O 3.31Å
172	K	96.1	Very high	95.6	Very high	27 Å²	27	30.6 Å²	30.6	12%	0.117	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-144.2	114.9	173.1	-171.1	-177.7	-174.4	-178.3	0	109.9	E119 L141 V142 D197 H224	E119-K172 IonicContact OE1-NZ 2.83Å; E119-K172 PolarHBondContact OE1-NZ 3.36Å; E119-K172 IonicContact OE2-NZ 3.22Å; E119-K172 PolarHBondContact OE2-NZ 2.9Å; L141-K172 CarbonylContact C-O 3.56Å; L141-K172 VanDerWaalsContact CA-O 3.3Å; L141-K172 WeakPolarHBondContact CA-O 3.44Å; V142-K172 HydrophobicContact CB-CB 3.9Å; V142-K172 HydrophobicContact CG2-CB 3.99Å; V142-K172 PolarHBondContact N-O 2.82Å; V142-K172 PolarHBondContact O-N 2.97Å; K172-D197 VanDerWaalsContact CD-O 3.31Å; K172-D197 WeakPolarHBondContact CD-O 3.36Å; K172-H224 PolarHBondContact O-CE1 3.04Å; K172-H224 PolarHBondContact O-NE2 2.85Å
173	P	96.3	Very high	95.2	Very high	54 Å²	54	38.3 Å²	38.3	35%	0.351	22%	0.219	S	C	.	.	S	Bend	cis	-70.6	178.7	-4	32.8	-38.3	0	0	0	113	S171 T175 H224 P225	S171-P173 CarbonylContact C-O 3.59Å; S171-P173 PolarHBondContact OG-O 2.96Å; P173-T175 PolarHBondContact O-N 2.84Å; P173-H224 WeakPolarHBondContact CD-NE2 3.42Å; P173-H224 PolarHBondContact O-CD2 2.91Å; P173-H224 VanDerWaalsContact O-CD2 3.31Å; P173-H224 PolarHBondContact O-NE2 3.03Å; P173-P225 HydrophobicContact CG-CG 4.04Å
174	A	96.3	Very high	95	Very high	38 Å²	38	40 Å²	40	31%	0.314	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-53.2	132	172.9	0	0	0	0	0	111.7	V192 Y199 V201	A174-V192 HydrophobicContact CB-CG1 3.91Å; A174-Y199 HydrophobicContact CB-CD1 4.14Å; A174-Y199 HydrophobicContact CB-CD2 4.07Å; A174-Y199 HydrophobicContact CB-CG 3.69Å; A174-Y199 VanDerWaalsContact N-CD2 3.3Å; A174-V201 HydrophobicContact CB-CG2 4.05Å
175	T	96.5	Very high	95	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-80.1	155.8	-178.5	60	0	0	0	0	112.6	P144 A168 S171 P173 V201 V222 H224	P144-T175 HydrophobicContact CB-CG2 4.32Å; P144-T175 HydrophobicContact CG-CG2 3.58Å; A168-T175 WeakPolarHBondContact CB-OG1 3.17Å; S171-T175 VanDerWaalsContact CB-CG2 3.41Å; S171-T175 WeakPolarHBondContact OG-CG2 3.32Å; P173-T175 PolarHBondContact O-N 2.84Å; T175-V201 WeakPolarHBondContact O-CG2 3.32Å; T175-V222 VanDerWaalsContact CB-CG1 3.47Å; T175-V222 HydrophobicContact CG2-CG1 3.75Å; T175-H224 HydrophobicContact CG2-CB 4.01Å
176	T	96.3	Very high	94.9	Very high	80 Å²	80	45.1 Å²	45.1	49%	0.491	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	168.8	-58.6	0	0	0	0	110.1	V222 E223	T176-V222 WeakPolarHBondContact O-CA 3.36Å; T176-E223 PolarHBondContact N-O 3.31Å; T176-E223 PolarHBondContact O-N 2.8Å
177	I	97.2	Very high	94.7	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.062	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.9	177.7	-63	-179.6	0	0	0	110.1	C166 A168 V201 S203 C220 V222	C166-I177 HydrophobicContact CB-CG2 4.35Å; C166-I177 WeakPolarHBondContact O-CD1 3.39Å; A168-I177 HydrophobicContact CB-CD1 4.1Å; A168-I177 HydrophobicContact CB-CG1 4.46Å; I177-V201 HydrophobicContact CD1-CB 4.18Å; I177-V201 HydrophobicContact CD1-CG1 3.91Å; I177-V201 VanDerWaalsContact CD1-O 3.29Å; I177-V201 WeakPolarHBondContact CD1-O 3.02Å; I177-V201 HydrophobicContact CG1-CG1 4.16Å; I177-S203 VanDerWaalsContact CG2-CB 3.49Å; I177-C220 WeakPolarHBondContact CG2-SG 3.4Å; I177-V222 HydrophobicContact CG1-CG2 4.2Å
178	R	96.3	Very high	94.7	Very high	72 Å²	72	55.3 Å²	55.3	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.8	176.2	-62.6	177.5	68.9	-170.9	0.6	110.2	F180 E185 Q221 E223	R178-F180 HydrophobicContact CB-CE2 3.72Å; R178-F180 HydrophobicContact CB-CZ 4.34Å; R178-E185 IonicContact CZ-OE1 3.05Å; R178-E185 VanDerWaalsContact CZ-OE1 3.28Å; R178-E185 IonicContact CZ-OE2 2.83Å; R178-E185 IonicContact NE-OE1 3.6Å; R178-E185 PolarHBondContact NE-OE1 2.95Å; R178-E185 IonicContact NH2-OE1 2.75Å; R178-E185 PolarHBondContact NH2-OE1 3.14Å; R178-E185 IonicContact NH2-OE2 2.77Å; R178-E185 PolarHBondContact NH2-OE2 2.87Å; R178-Q221 PolarHBondContact N-O 2.94Å; R178-Q221 PolarHBondContact O-N 2.82Å; R178-E223 WeakPolarHBondContact CD-OE1 3.17Å; R178-E223 IonicContact CZ-OE1 3.75Å; R178-E223 IonicContact NE-OE1 3.89Å; R178-E223 IonicContact NH1-OE1 3.6Å; R178-E223 PolarHBondContact NH1-OE1 3.14Å
179	W	97.7	Very high	94.7	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.8	-178.3	-70.4	100.3	0	0	0	111.1	I149 V164 C166 E185 L186 S203 L205 V218 I219 C220	I149-W179 HydrophobicContact CD1-CZ3 4.23Å; I149-W179 HydrophobicContact CG1-CH2 4.39Å; I149-W179 HydrophobicContact CG1-CZ3 4.29Å; V164-W179 HydrophobicContact CB-CH2 4.36Å; V164-W179 HydrophobicContact CG1-CH2 3.65Å; V164-W179 HydrophobicContact CG1-CZ3 3.88Å; C166-W179 HydrophobicContact CB-CH2 3.28Å; C166-W179 HydrophobicContact CB-CZ2 3.33Å; C166-W179 HydrophobicContact CB-CZ3 4.1Å; W179-E185 CarbonylContact O-C 3.57Å; W179-E185 WeakPolarHBondContact O-CA 3.39Å; W179-L186 HydrophobicContact CB-CB 3.86Å; W179-L186 PolarHBondContact O-N 3.04Å; W179-S203 WeakPolarHBondContact CZ2-O 3.08Å; W179-S203 PolarHBondContact NE1-OG 3.39Å; W179-L205 HydrophobicContact CB-CD2 4.32Å; W179-L205 HydrophobicContact CD2-CB 4.1Å; W179-L205 HydrophobicContact CD2-CD2 3.92Å; W179-L205 HydrophobicContact CE3-CD2 3.98Å; W179-L205 HydrophobicContact CG-CB 4.35Å; W179-L205 HydrophobicContact CG-CD2 4.11Å; W179-L205 HydrophobicContact CZ2-CB 4.09Å; W179-V218 HydrophobicContact CE3-CG1 3.54Å; W179-V218 HydrophobicContact CZ3-CG1 3.64Å; W179-I219 CarbonylContact C-O 3.6Å; W179-I219 WeakPolarHBondContact CA-O 3.31Å; W179-C220 HydrophobicContact CE3-CB 4.22Å; W179-C220 HydrophobicContact CH2-CB 4.42Å; W179-C220 HydrophobicContact CZ3-CB 3.99Å
180	F	96.3	Very high	94.9	Very high	33 Å²	33	61.9 Å²	61.9	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.7	175.4	-63.9	-90.5	0	0	0	111.2	R178 T184 E185 I219 Q221	R178-F180 HydrophobicContact CB-CE2 3.72Å; R178-F180 HydrophobicContact CB-CZ 4.34Å; F180-T184 WeakPolarHBondContact CA-O 3.37Å; F180-E185 HydrophobicContact CD1-CB 4.11Å; F180-E185 HydrophobicContact CE1-CB 3.81Å; F180-E185 HydrophobicContact CE1-CG 4.11Å; F180-E185 HydrophobicContact CZ-CB 4.5Å; F180-E185 HydrophobicContact CZ-CG 4.32Å; F180-I219 HydrophobicContact CB-CB 4.14Å; F180-I219 PolarHBondContact N-O 2.82Å; F180-I219 PolarHBondContact O-N 2.9Å; F180-Q221 HydrophobicContact CD2-CB 4.05Å; F180-Q221 HydrophobicContact CE2-CB 3.9Å
181	K	93.6	Very high	95.1	Very high	40 Å²	40	66.5 Å²	66.5	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	107	167.4	-177.7	176.8	66.2	164.2	0	107.4	N183 T184 L186 D213 V216	K181-N183 PolarHBondContact O-N 2.88Å; K181-T184 PolarHBondContact N-O 2.81Å; K181-T184 PolarHBondContact O-N 2.01Å; K181-L186 HydrophobicContact CB-CD1 3.76Å; K181-L186 HydrophobicContact CB-CG 4.33Å; K181-D213 WeakPolarHBondContact CD-OD1 3.48Å; K181-D213 WeakPolarHBondContact CE-OD1 3.49Å; K181-D213 IonicContact NZ-OD1 2.74Å; K181-D213 PolarHBondContact NZ-OD1 2.86Å; K181-D213 IonicContact NZ-OD2 3.28Å; K181-D213 PolarHBondContact NZ-OD2 2.84Å; K181-V216 HydrophobicContact CG-CG1 3.84Å
182	G	83.9	Confident	95.1	Very high	45 Å²	45	70.4 Å²	70.4	46%	0.464	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-126.4	-164.7	0	0	0	0	0	111
183	N	86.2	Confident	95.2	Very high	170 Å²	170	74.5 Å²	74.5	91%	0.909	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2.3	177.1	-67.6	-16.9	0	0	0	113.6	K181	K181-N183 PolarHBondContact O-N 2.88Å
184	T	93.1	Very high	95.1	Very high	88 Å²	88	78 Å²	78	54%	0.54	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123	-173.9	-55	0	0	0	0	109.9	F180 K181 L186	F180-T184 WeakPolarHBondContact CA-O 3.37Å; K181-T184 PolarHBondContact N-O 2.81Å; K181-T184 PolarHBondContact O-N 2.01Å; T184-L186 HydrophobicContact CG2-CD2 4.32Å
185	E	95.8	Very high	94.7	Very high	98 Å²	98	85.8 Å²	85.8	46%	0.458	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.2	171.1	-174.8	168.9	-166.2	0	0	110.4	R178 W179 F180	R178-E185 IonicContact CZ-OE1 3.05Å; R178-E185 VanDerWaalsContact CZ-OE1 3.28Å; R178-E185 IonicContact CZ-OE2 2.83Å; R178-E185 IonicContact NE-OE1 3.6Å; R178-E185 PolarHBondContact NE-OE1 2.95Å; R178-E185 IonicContact NH2-OE1 2.75Å; R178-E185 PolarHBondContact NH2-OE1 3.14Å; R178-E185 IonicContact NH2-OE2 2.77Å; R178-E185 PolarHBondContact NH2-OE2 2.87Å; W179-E185 CarbonylContact O-C 3.57Å; W179-E185 WeakPolarHBondContact O-CA 3.39Å; F180-E185 HydrophobicContact CD1-CB 4.11Å; F180-E185 HydrophobicContact CE1-CB 3.81Å; F180-E185 HydrophobicContact CE1-CG 4.11Å; F180-E185 HydrophobicContact CZ-CB 4.5Å; F180-E185 HydrophobicContact CZ-CG 4.32Å
186	L	95.9	Very high	94.3	Very high	33 Å²	33	90.2 Å²	90.2	17%	0.173	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.5	179.3	-56.5	178.8	0	0	0	110.4	W179 K181 T184 L205 L207	W179-L186 HydrophobicContact CB-CB 3.86Å; W179-L186 PolarHBondContact O-N 3.04Å; K181-L186 HydrophobicContact CB-CD1 3.76Å; K181-L186 HydrophobicContact CB-CG 4.33Å; T184-L186 HydrophobicContact CG2-CD2 4.32Å; L186-L205 HydrophobicContact CB-CD1 3.89Å; L186-L205 HydrophobicContact CB-CD2 4.48Å; L186-L205 HydrophobicContact CD1-CD1 4.36Å; L186-L205 HydrophobicContact CD1-CD2 3.81Å; L186-L207 HydrophobicContact CD1-CD1 4.18Å
187	K	94.8	Very high	94	Very high	203 Å²	203	90.6 Å²	90.6	88%	0.883	47%	0.465	S	S	*	.			trans	-96.3	108.6	-179.6	-65.9	-174.3	179	-178.1	0	110.3
188	G	95.9	Very high	93.8	Very high	30 Å²	30	92.4 Å²	92.4	31%	0.309	47%	0.474	S	S	.	.			trans	-95.1	168.4	166.5	0	0	0	0	0	112	Q204	G188-Q204 CarbonylContact C-O 3.23Å; G188-Q204 WeakPolarHBondContact CA-O 3.37Å
189	K	97.6	Very high	93.8	Very high	163 Å²	163	91.8 Å²	91.8	71%	0.709	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.1	169.5	-66.7	178	-177.2	172.3	0	108.2	S203 Q204	K189-S203 CarbonylContact O-C 3.59Å; K189-S203 WeakPolarHBondContact O-CA 3.38Å; K189-Q204 PolarHBondContact N-O 2.92Å; K189-Q204 PolarHBondContact O-N 2.85Å
190	S	97.6	Very high	93.7	Very high	68 Å²	68	92.8 Å²	92.8	48%	0.476	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.5	-177.2	-54.6	0	0	0	0	111.6	T202 S203	S190-T202 CarbonylContact C-O 3.58Å; S190-T202 WeakPolarHBondContact CA-O 3.39Å; S190-S203 WeakPolarHBondContact OG-CB 2.99Å; S190-S203 PolarHBondContact OG-OG 3.39Å
191	E	97.7	Very high	93.8	Very high	135 Å²	135	91.3 Å²	91.3	63%	0.631	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.4	172.7	-175.8	165.1	-164.3	0	0	108.9	V201 T202	E191-V201 WeakPolarHBondContact O-CA 3.08Å; E191-T202 PolarHBondContact N-O 3.13Å; E191-T202 PolarHBondContact O-N 3.19Å
192	V	97.3	Very high	94	Very high	81 Å²	81	91.2 Å²	91.2	49%	0.491	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.8	-177.2	-177.9	0	0	0	0	108.2	A174 Y199 V201	A174-V192 HydrophobicContact CB-CG1 3.91Å; V192-Y199 HydrophobicContact CG1-CD1 3.84Å; V192-Y199 HydrophobicContact CG1-CG 4.44Å; V192-V201 HydrophobicContact CG1-CG2 4.28Å; V192-V201 HydrophobicContact CG2-CG1 4.26Å; V192-V201 HydrophobicContact CG2-CG2 4.1Å
193	E	96.1	Very high	94.6	Very high	113 Å²	113	89.1 Å²	89.1	53%	0.528	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128	173.5	-65.4	177.3	-174.1	0	0	109.1	Y199 T200	E193-Y199 WeakPolarHBondContact O-CA 3.15Å; E193-T200 PolarHBondContact N-O 3.13Å; E193-T200 PolarHBondContact O-N 2.8Å
194	E	95.1	Very high	95.2	Very high	127 Å²	127	84.3 Å²	84.3	59%	0.593	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	176.7	-175.6	167.9	-139.1	0	0	110	Y199	E194-Y199 HydrophobicContact CB-CD1 4.04Å; E194-Y199 HydrophobicContact CB-CE1 3.89Å; E194-Y199 HydrophobicContact CG-CD1 4.14Å; E194-Y199 HydrophobicContact CG-CE1 3.63Å; E194-Y199 WeakPolarHBondContact OE1-CE1 3.18Å; E194-Y199 PolarHBondContact OE1-OH 2.81Å
195	W	87.4	Confident	95.4	Very high	202 Å²	202	80.3 Å²	80.3	77%	0.765	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	103.5	175.8	-174.4	-88.6	0	0	0	109.8	D197 M198	W195-D197 PolarHBondContact O-N 2.79Å; W195-D197 VanDerWaalsContact O-N 3.11Å; W195-M198 PolarHBondContact N-O 2.99Å; W195-M198 PolarHBondContact O-N 2.89Å; W195-M198 VanDerWaalsContact O-N 3.1Å
196	S	88.3	Confident	95.4	Very high	100 Å²	100	79.9 Å²	79.9	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-105.6	-171.7	-167.3	0	0	0	0	111.5
197	D	89.8	Confident	95.4	Very high	89 Å²	89	78.9 Å²	78.9	48%	0.476	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	14.7	179.7	-62	-50.7	0	0	0	112.6	I116 K172 W195	I116-D197 HydrophobicContact CG2-CB 4.44Å; K172-D197 VanDerWaalsContact CD-O 3.31Å; K172-D197 WeakPolarHBondContact CD-O 3.36Å; W195-D197 PolarHBondContact O-N 2.79Å; W195-D197 VanDerWaalsContact O-N 3.11Å
198	M	93.9	Very high	95.4	Very high	50 Å²	50	74.7 Å²	74.7	25%	0.246	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.9	-171.3	-157.6	162.9	52.8	0	0	110.5	V142 A170 S171 W195	V142-M198 HydrophobicContact CG1-SD 4.07Å; A170-M198 VanDerWaalsContact C-CG 3.41Å; A170-M198 WeakPolarHBondContact CA-SD 3.28Å; A170-M198 HydrophobicContact CB-CE 3.36Å; A170-M198 HydrophobicContact CB-CG 4.41Å; A170-M198 HydrophobicContact CB-SD 3.62Å; S171-M198 WeakPolarHBondContact O-CG 3.49Å; W195-M198 PolarHBondContact N-O 2.99Å; W195-M198 PolarHBondContact O-N 2.89Å; W195-M198 VanDerWaalsContact O-N 3.1Å
199	Y	95.8	Very high	95.4	Very high	58 Å²	58	73.3 Å²	73.3	23%	0.227	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.8	-171	-57.7	-81.5	0	0	0	111	A170 S171 A174 V192 E193 E194	A170-Y199 PolarHBondContact N-O 2.88Å; S171-Y199 PolarHBondContact N-O 2.83Å; S171-Y199 WeakPolarHBondContact O-CD2 3.44Å; S171-Y199 PolarHBondContact O-N 3.01Å; S171-Y199 PolarHBondContact OG-O 3.31Å; A174-Y199 HydrophobicContact CB-CD1 4.14Å; A174-Y199 HydrophobicContact CB-CD2 4.07Å; A174-Y199 HydrophobicContact CB-CG 3.69Å; A174-Y199 VanDerWaalsContact N-CD2 3.3Å; V192-Y199 HydrophobicContact CG1-CD1 3.84Å; V192-Y199 HydrophobicContact CG1-CG 4.44Å; E193-Y199 WeakPolarHBondContact O-CA 3.15Å; E194-Y199 HydrophobicContact CB-CD1 4.04Å; E194-Y199 HydrophobicContact CB-CE1 3.89Å; E194-Y199 HydrophobicContact CG-CD1 4.14Å; E194-Y199 HydrophobicContact CG-CE1 3.63Å; E194-Y199 WeakPolarHBondContact OE1-CE1 3.18Å; E194-Y199 PolarHBondContact OE1-OH 2.81Å
200	T	96.2	Very high	95.3	Very high	23 Å²	23	69.4 Å²	69.4	14%	0.141	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126	163.6	-64.8	0	0	0	0	107.6	T167 A168 M169 E193	T167-T200 HydrophobicContact CG2-CG2 3.62Å; A168-T200 WeakPolarHBondContact O-CA 3.36Å; M169-T200 HydrophobicContact CG-CG2 4.2Å; E193-T200 PolarHBondContact N-O 3.13Å; E193-T200 PolarHBondContact O-N 2.8Å
201	V	97.3	Very high	95.1	Very high	2 Å²	2	69 Å²	69	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.5	178	-174.3	0	0	0	0	108.1	T167 A168 A174 T175 I177 E191 V192	T167-V201 WeakPolarHBondContact CA-O 3.36Å; A168-V201 PolarHBondContact N-O 3.07Å; A168-V201 PolarHBondContact O-N 3.14Å; A174-V201 HydrophobicContact CB-CG2 4.05Å; T175-V201 WeakPolarHBondContact O-CG2 3.32Å; I177-V201 HydrophobicContact CD1-CB 4.18Å; I177-V201 HydrophobicContact CD1-CG1 3.91Å; I177-V201 VanDerWaalsContact CD1-O 3.29Å; I177-V201 WeakPolarHBondContact CD1-O 3.02Å; I177-V201 HydrophobicContact CG1-CG1 4.16Å; E191-V201 WeakPolarHBondContact O-CA 3.08Å; V192-V201 HydrophobicContact CG1-CG2 4.28Å; V192-V201 HydrophobicContact CG2-CG1 4.26Å; V192-V201 HydrophobicContact CG2-CG2 4.1Å
202	T	97.4	Very high	94.9	Very high	37 Å²	37	68.2 Å²	68.2	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.5	174.2	-61.5	0	0	0	0	108.8	N165 C166 T167 S190 E191	N165-T202 HydrophobicContact CB-CG2 4.44Å; C166-T202 CarbonylContact O-C 3.16Å; C166-T202 VanDerWaalsContact O-CA 3.31Å; C166-T202 WeakPolarHBondContact O-CA 3.27Å; T167-T202 WeakPolarHBondContact CG2-OG1 3.29Å; T167-T202 PolarHBondContact OG1-OG1 3.45Å; T167-T202 VanDerWaalsContact OG1-OG1 3.13Å; S190-T202 CarbonylContact C-O 3.58Å; S190-T202 WeakPolarHBondContact CA-O 3.39Å; E191-T202 PolarHBondContact N-O 3.13Å; E191-T202 PolarHBondContact O-N 3.19Å
203	S	98.1	Very high	94.8	Very high	1 Å²	1	65 Å²	65	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	173.7	-162.9	0	0	0	0	110	N165 C166 I177 W179 K189 S190	N165-S203 CarbonylContact C-O 3.46Å; N165-S203 WeakPolarHBondContact CA-O 3.42Å; C166-S203 PolarHBondContact N-O 2.85Å; C166-S203 PolarHBondContact O-N 2.74Å; I177-S203 VanDerWaalsContact CG2-CB 3.49Å; W179-S203 WeakPolarHBondContact CZ2-O 3.08Å; W179-S203 PolarHBondContact NE1-OG 3.39Å; K189-S203 CarbonylContact O-C 3.59Å; K189-S203 WeakPolarHBondContact O-CA 3.38Å; S190-S203 WeakPolarHBondContact OG-CB 2.99Å; S190-S203 PolarHBondContact OG-OG 3.39Å
204	Q	98	Very high	94.7	Very high	69 Å²	69	61.8 Å²	61.8	32%	0.322	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129	175.6	-178	-175.5	75.7	0	0	110.2	E163 N165 G188 K189	E163-Q204 HydrophobicContact CG-CG 3.71Å; E163-Q204 PolarHBondContact OE1-NE2 3.14Å; E163-Q204 PolarHBondContact OE2-NE2 2.83Å; N165-Q204 WeakPolarHBondContact OD1-CA 3.3Å; N165-Q204 WeakPolarHBondContact OD1-CB 3.38Å; N165-Q204 WeakPolarHBondContact OD1-CG 3.45Å; G188-Q204 CarbonylContact C-O 3.23Å; G188-Q204 WeakPolarHBondContact CA-O 3.37Å; K189-Q204 PolarHBondContact N-O 2.92Å; K189-Q204 PolarHBondContact O-N 2.85Å
205	L	97.4	Very high	94.6	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	176.4	173.7	67.7	0	0	0	109.7	V164 W179 L186 L207 V218	V164-L205 HydrophobicContact CB-CB 4.36Å; V164-L205 PolarHBondContact N-O 2.82Å; V164-L205 PolarHBondContact O-N 2.83Å; W179-L205 HydrophobicContact CB-CD2 4.32Å; W179-L205 HydrophobicContact CD2-CB 4.1Å; W179-L205 HydrophobicContact CD2-CD2 3.92Å; W179-L205 HydrophobicContact CE3-CD2 3.98Å; W179-L205 HydrophobicContact CG-CB 4.35Å; W179-L205 HydrophobicContact CG-CD2 4.11Å; W179-L205 HydrophobicContact CZ2-CB 4.09Å; L186-L205 HydrophobicContact CB-CD1 3.89Å; L186-L205 HydrophobicContact CB-CD2 4.48Å; L186-L205 HydrophobicContact CD1-CD1 4.36Å; L186-L205 HydrophobicContact CD1-CD2 3.81Å; L205-L207 HydrophobicContact CD2-CB 4.48Å; L205-L207 HydrophobicContact CG-CB 4.34Å; L205-V218 HydrophobicContact CD2-CG1 4.11Å
206	M	96.5	Very high	94.9	Very high	90 Å²	90	50.1 Å²	50.1	44%	0.443	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.9	167.8	-63.2	-58.4	-68.9	0	0	108.8	E161 E163	E161-M206 HydrophobicContact CG-CB 4.44Å; E161-M206 HydrophobicContact CG-CE 4.09Å; E163-M206 HydrophobicContact CB-SD 3.92Å; E163-M206 HydrophobicContact CG-SD 4.04Å
207	L	94.6	Very high	95.2	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.4	-173.8	-179.9	64.7	0	0	0	111.1	E161 I162 L186 L205 V209 V218 L237	E161-L207 WeakPolarHBondContact CA-O 3.42Å; I162-L207 HydrophobicContact CG1-CB 4.26Å; I162-L207 PolarHBondContact N-O 3.01Å; I162-L207 PolarHBondContact O-N 3.05Å; L186-L207 HydrophobicContact CD1-CD1 4.18Å; L205-L207 HydrophobicContact CD2-CB 4.48Å; L205-L207 HydrophobicContact CG-CB 4.34Å; L207-V209 HydrophobicContact CG-CG1 4.49Å; L207-V209 PolarHBondContact O-N 3.38Å; L207-V218 HydrophobicContact CD2-CG2 4.08Å; L207-L237 HydrophobicContact CD2-CD1 3.7Å
208	K	95.6	Very high	95.5	Very high	115 Å²	115	42.6 Å²	42.6	50%	0.5	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.5	167	-171.5	174.1	-177.1	176	0	110.5	G159 E160 H210	G159-K208 WeakPolarHBondContact O-CE 3.22Å; E160-K208 CarbonylContact O-C 3.5Å; E160-K208 WeakPolarHBondContact O-CA 3.43Å; K208-H210 PolarHBondContact O-CE1 3.44Å; K208-H210 PolarHBondContact O-ND1 3.37Å; K208-H210 VanDerWaalsContact O-ND1 3.15Å
209	V	95.2	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.			trans	-84.5	142.7	-174.5	-64.5	0	0	0	0	112.4	A156 V157 G159 E160 I162 L207 V239	A156-V209 HydrophobicContact CB-CB 4.4Å; A156-V209 HydrophobicContact CB-CG1 4.11Å; A156-V209 HydrophobicContact CB-CG2 3.68Å; V157-V209 WeakPolarHBondContact O-CG2 3.42Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.77Å; E160-V209 HydrophobicContact CB-CG2 4.15Å; E160-V209 WeakPolarHBondContact O-CG2 3.36Å; E160-V209 PolarHBondContact O-N 2.77Å; I162-V209 HydrophobicContact CD1-CG1 3.69Å; I162-V209 HydrophobicContact CG1-CG1 3.88Å; L207-V209 HydrophobicContact CG-CG1 4.49Å; L207-V209 PolarHBondContact O-N 3.38Å; V209-V239 HydrophobicContact CB-CG1 4.39Å; V209-V239 HydrophobicContact CB-CG2 4.11Å; V209-V239 HydrophobicContact CG1-CG2 4.42Å; V209-V239 HydrophobicContact CG2-CG1 4.26Å
210	H	95.2	Very high	95.7	Very high	81 Å²	81	38.7 Å²	38.7	38%	0.375	20%	0.204	S	C	.	.			trans	-123.5	163.5	174	-58.9	69.9	0	0	0	110	K208 E212 D213	K208-H210 PolarHBondContact O-CE1 3.44Å; K208-H210 PolarHBondContact O-ND1 3.37Å; K208-H210 VanDerWaalsContact O-ND1 3.15Å; H210-E212 VanDerWaalsContact CB-OE2 3.27Å; H210-E212 WeakPolarHBondContact CB-OE2 3.26Å; H210-E212 PolarHBondContact O-N 3.16Å; H210-D213 PolarHBondContact N-OD2 2.81Å; H210-D213 IonicContact ND1-OD2 3.87Å; H210-D213 VanDerWaalsContact O-CB 3.3Å; H210-D213 WeakPolarHBondContact O-CB 3.24Å; H210-D213 PolarHBondContact O-N 3.46Å
211	K	94.6	Very high	95.7	Very high	60 Å²	60	39.2 Å²	39.2	26%	0.261	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.3	-29.4	178.8	66.3	-177.7	-177.3	-172.7	0	113.2	E158 D213 D214 Y241 Q244	E158-K211 WeakPolarHBondContact OE1-CG 3.49Å; K211-D213 PolarHBondContact O-N 3.42Å; K211-D214 WeakPolarHBondContact O-CB 2.99Å; K211-D214 PolarHBondContact O-N 2.89Å; K211-Y241 HydrophobicContact CB-CD1 3.72Å; K211-Y241 HydrophobicContact CB-CD2 4.26Å; K211-Y241 HydrophobicContact CB-CE1 4.24Å; K211-Y241 HydrophobicContact CB-CG 3.74Å; K211-Q244 VanDerWaalsContact CD-NE2 3.25Å
212	E	94.1	Very high	95.6	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-71.8	-15.4	177.7	-58.9	76.4	-163.7	0	0	112.8	H210 D214 V216	H210-E212 VanDerWaalsContact CB-OE2 3.27Å; H210-E212 WeakPolarHBondContact CB-OE2 3.26Å; H210-E212 PolarHBondContact O-N 3.16Å; E212-D214 VanDerWaalsContact C-N 3.3Å; E212-V216 VanDerWaalsContact O-CG2 3.22Å; E212-V216 WeakPolarHBondContact O-CG2 3.29Å
213	D	93.8	Very high	95.5	Very high	14 Å²	14	41.3 Å²	41.3	8%	0.075	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-82.1	-10.2	177.5	-62.6	-36.8	0	0	0	112.2	K181 H210 K211 G215 V216 L237 V239	K181-D213 WeakPolarHBondContact CD-OD1 3.48Å; K181-D213 WeakPolarHBondContact CE-OD1 3.49Å; K181-D213 IonicContact NZ-OD1 2.74Å; K181-D213 PolarHBondContact NZ-OD1 2.86Å; K181-D213 IonicContact NZ-OD2 3.28Å; K181-D213 PolarHBondContact NZ-OD2 2.84Å; H210-D213 PolarHBondContact N-OD2 2.81Å; H210-D213 IonicContact ND1-OD2 3.87Å; H210-D213 VanDerWaalsContact O-CB 3.3Å; H210-D213 WeakPolarHBondContact O-CB 3.24Å; H210-D213 PolarHBondContact O-N 3.46Å; K211-D213 PolarHBondContact O-N 3.42Å; D213-G215 PolarHBondContact O-N 3.27Å; D213-V216 WeakPolarHBondContact O-CB 3.39Å; D213-V216 PolarHBondContact O-N 2.82Å; D213-L237 HydrophobicContact CB-CD1 4Å; D213-V239 HydrophobicContact CB-CG2 4.33Å
214	D	95	Very high	95.4	Very high	44 Å²	44	41.9 Å²	41.9	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	123.6	178.2	-169.9	51.6	0	0	0	111.5	K211 E212 V216 V239 K272	K211-D214 WeakPolarHBondContact O-CB 2.99Å; K211-D214 PolarHBondContact O-N 2.89Å; E212-D214 VanDerWaalsContact C-N 3.3Å; D214-V216 PolarHBondContact O-N 2.83Å; D214-V239 HydrophobicContact CB-CB 4.07Å; D214-V239 PolarHBondContact OD1-N 2.82Å; D214-K272 IonicContact OD1-NZ 3.99Å; D214-K272 PolarHBondContact OD1-NZ 3.3Å; D214-K272 WeakPolarHBondContact OD2-CD 3.4Å; D214-K272 WeakPolarHBondContact OD2-CE 3.45Å; D214-K272 IonicContact OD2-NZ 3.7Å; D214-K272 PolarHBondContact OD2-NZ 2.9Å
215	G	92.9	Very high	95.3	Very high	44 Å²	44	43 Å²	43	45%	0.454	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	6.9	-176.5	0	0	0	0	0	114.4	D213 Y236 L237	D213-G215 PolarHBondContact O-N 3.27Å; G215-Y236 WeakPolarHBondContact O-CD1 3.44Å; G215-L237 PolarHBondContact N-O 3.29Å
216	V	92.6	Very high	95.2	Very high	40 Å²	40	43.4 Å²	43.4	24%	0.242	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-87.7	130.6	172.7	-178.9	0	0	0	0	109.3	K181 E212 D213 D214 L237	K181-V216 HydrophobicContact CG-CG1 3.84Å; E212-V216 VanDerWaalsContact O-CG2 3.22Å; E212-V216 WeakPolarHBondContact O-CG2 3.29Å; D213-V216 WeakPolarHBondContact O-CB 3.39Å; D213-V216 PolarHBondContact O-N 2.82Å; D214-V216 PolarHBondContact O-N 2.83Å; V216-L237 PolarHBondContact O-N 3.3Å
217	P	95.1	Very high	95.1	Very high	30 Å²	30	41 Å²	41	20%	0.195	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.4	177.4	29.5	-32.6	0	0	0	111.3	I219 Q234 R235 Y236	P217-I219 HydrophobicContact CB-CG1 4.41Å; P217-Q234 HydrophobicContact CB-CB 4.25Å; P217-R235 CarbonylContact C-O 3.53Å; P217-R235 WeakPolarHBondContact CA-O 3.34Å; P217-Y236 HydrophobicContact CB-CD1 3.96Å; P217-Y236 HydrophobicContact CB-CE1 3.86Å; P217-Y236 HydrophobicContact CG-CD1 4.41Å; P217-Y236 HydrophobicContact CG-CE1 4.03Å
218	V	95.6	Very high	94.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.6	158.9	179	0	0	0	0	107.4	W179 L205 L207 Q234 R235 L237	W179-V218 HydrophobicContact CE3-CG1 3.54Å; W179-V218 HydrophobicContact CZ3-CG1 3.64Å; L205-V218 HydrophobicContact CD2-CG1 4.11Å; L207-V218 HydrophobicContact CD2-CG2 4.08Å; V218-Q234 CarbonylContact O-C 3.46Å; V218-Q234 VanDerWaalsContact O-CA 3.29Å; V218-Q234 WeakPolarHBondContact O-CA 3.36Å; V218-R235 PolarHBondContact N-O 2.89Å; V218-R235 PolarHBondContact O-N 3.39Å; V218-L237 HydrophobicContact CG2-CD1 3.65Å; V218-L237 HydrophobicContact CG2-CD2 3.95Å; V218-L237 HydrophobicContact CG2-CG 3.79Å
219	I	97.1	Very high	94.1	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.138	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	-173.8	-59	171	0	0	0	108.1	W179 F180 P217 Q232 T233 Q234	W179-I219 CarbonylContact C-O 3.6Å; W179-I219 WeakPolarHBondContact CA-O 3.31Å; F180-I219 HydrophobicContact CB-CB 4.14Å; F180-I219 PolarHBondContact N-O 2.82Å; F180-I219 PolarHBondContact O-N 2.9Å; P217-I219 HydrophobicContact CB-CG1 4.41Å; I219-Q232 HydrophobicContact CG2-CB 4.11Å; I219-Q232 HydrophobicContact CG2-CG 4.48Å; I219-T233 WeakPolarHBondContact CA-O 3.42Å; I219-Q234 HydrophobicContact CG1-CB 3.93Å
220	C	97	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.6	167.6	174.7	0	0	0	0	108.3	I149 C166 I177 W179 Q232 T233	I149-C220 HydrophobicContact CD1-CB 3.72Å; I149-C220 HydrophobicContact CG1-CB 3.87Å; C166-C220 HydrophobicContact CB-CB 3.57Å; C166-C220 WeakPolarHBondContact CB-SG 3.36Å; C166-C220 WeakPolarHBondContact SG-CB 3.34Å; C166-C220 CovalentContact SG-SG 2.01Å; C166-C220 PolarHBondContact SG-SG 3.13Å; I177-C220 WeakPolarHBondContact CG2-SG 3.4Å; W179-C220 HydrophobicContact CE3-CB 4.22Å; W179-C220 HydrophobicContact CH2-CB 4.42Å; W179-C220 HydrophobicContact CZ3-CB 3.99Å; C220-Q232 CarbonylContact O-C 3.59Å; C220-Q232 WeakPolarHBondContact O-CA 3.41Å; C220-Q232 WeakPolarHBondContact O-CB 3.32Å; C220-T233 HydrophobicContact CB-CG2 4.08Å; C220-T233 PolarHBondContact N-O 2.94Å; C220-T233 PolarHBondContact O-N 2.9Å
221	Q	95.9	Very high	93.6	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139	176.9	-179.4	176.6	-29.1	0	0	109.9	R178 F180 Q232	R178-Q221 PolarHBondContact N-O 2.94Å; R178-Q221 PolarHBondContact O-N 2.82Å; F180-Q221 HydrophobicContact CD2-CB 4.05Å; F180-Q221 HydrophobicContact CE2-CB 3.9Å; Q221-Q232 HydrophobicContact CB-CB 4.18Å; Q221-Q232 HydrophobicContact CG-CB 4.42Å
222	V	96.4	Very high	93.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.6	-175	-177.9	0	0	0	0	110.7	P144 L147 A168 T175 T176 I177 L231	P144-V222 HydrophobicContact CG-CG1 4.04Å; L147-V222 HydrophobicContact CD1-CB 4.14Å; L147-V222 HydrophobicContact CD1-CG2 3.56Å; L147-V222 HydrophobicContact CD2-CB 4.31Å; L147-V222 HydrophobicContact CD2-CG2 3.57Å; L147-V222 HydrophobicContact CG-CG2 4.21Å; A168-V222 HydrophobicContact CB-CG1 4.4Å; A168-V222 HydrophobicContact CB-CG2 4.34Å; T175-V222 VanDerWaalsContact CB-CG1 3.47Å; T175-V222 HydrophobicContact CG2-CG1 3.75Å; T176-V222 WeakPolarHBondContact O-CA 3.36Å; I177-V222 HydrophobicContact CG1-CG2 4.2Å; V222-L231 PolarHBondContact N-O 3.02Å
223	E	95	Very high	93.7	Very high	80 Å²	80	46.9 Å²	46.9	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.5	176.2	-62.4	177.9	-177.5	0	0	109.6	T176 R178	T176-E223 PolarHBondContact N-O 3.31Å; T176-E223 PolarHBondContact O-N 2.8Å; R178-E223 WeakPolarHBondContact CD-OE1 3.17Å; R178-E223 IonicContact CZ-OE1 3.75Å; R178-E223 IonicContact NE-OE1 3.89Å; R178-E223 IonicContact NH1-OE1 3.6Å; R178-E223 PolarHBondContact NH1-OE1 3.14Å
224	H	96.5	Very high	93.8	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.06	30%	0.3	C	S	.	.			trans	-152.1	140.3	-179.7	-174.8	-95.8	0	0	0	110.9	V142 K172 P173 T175 A226 V227	V142-H224 PolarHBondContact O-CE1 2.84Å; V142-H224 VanDerWaalsContact O-CE1 3.29Å; V142-H224 PolarHBondContact O-NE2 3Å; K172-H224 PolarHBondContact O-CE1 3.04Å; K172-H224 PolarHBondContact O-NE2 2.85Å; P173-H224 WeakPolarHBondContact CD-NE2 3.42Å; P173-H224 PolarHBondContact O-CD2 2.91Å; P173-H224 VanDerWaalsContact O-CD2 3.31Å; P173-H224 PolarHBondContact O-NE2 3.03Å; T175-H224 HydrophobicContact CG2-CB 4.01Å; H224-A226 WeakPolarHBondContact ND1-CB 3.47Å; H224-A226 PolarHBondContact ND1-N 3.38Å; H224-A226 VanDerWaalsContact ND1-N 3.14Å; H224-A226 PolarHBondContact O-N 3.29Å; H224-A226 VanDerWaalsContact O-N 3.14Å; H224-V227 HydrophobicContact CB-CB 4.36Å; H224-V227 HydrophobicContact CB-CG2 3.9Å; H224-V227 PolarHBondContact O-N 3.31Å
225	P	95.9	Very high	93.8	Very high	94 Å²	94	54.4 Å²	54.4	61%	0.61	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27	-175.7	-25.3	34.7	0	0	0	115.3	L141 P173 V227	L141-P225 HydrophobicContact CD1-CB 4.02Å; P173-P225 HydrophobicContact CG-CG 4.04Å; P225-V227 VanDerWaalsContact C-N 3.3Å
226	A	94.8	Very high	93.9	Very high	12 Å²	12	58.4 Å²	58.4	10%	0.099	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.9	176.4	0	0	0	0	0	114.3	I55 L141 P143 H224	I55-A226 HydrophobicContact CD1-CB 3.79Å; I55-A226 WeakPolarHBondContact CD1-O 3.34Å; I55-A226 HydrophobicContact CG1-CB 3.71Å; I55-A226 HydrophobicContact CG2-CB 4.2Å; L141-A226 HydrophobicContact CB-CB 3.79Å; L141-A226 HydrophobicContact CD1-CB 4.06Å; P143-A226 HydrophobicContact CB-CB 4.14Å; P143-A226 HydrophobicContact CG-CB 4.3Å; H224-A226 WeakPolarHBondContact ND1-CB 3.47Å; H224-A226 PolarHBondContact ND1-N 3.38Å; H224-A226 VanDerWaalsContact ND1-N 3.14Å; H224-A226 PolarHBondContact O-N 3.29Å; H224-A226 VanDerWaalsContact O-N 3.14Å
227	V	93.2	Very high	94	Very high	39 Å²	39	56.9 Å²	56.9	24%	0.236	30%	0.304	C	S	.	.			trans	-108.3	117.1	-175.8	178.3	0	0	0	0	108.9	P143 H224 P225 G229 L231	P143-V227 HydrophobicContact CB-CG2 3.86Å; H224-V227 HydrophobicContact CB-CB 4.36Å; H224-V227 HydrophobicContact CB-CG2 3.9Å; H224-V227 PolarHBondContact O-N 3.31Å; P225-V227 VanDerWaalsContact C-N 3.3Å; V227-G229 VanDerWaalsContact CG1-O 3.28Å; V227-G229 WeakPolarHBondContact CG1-O 3.27Å; V227-L231 HydrophobicContact CG1-CB 3.7Å; V227-L231 HydrophobicContact CG2-CD2 4.11Å
228	T	84.9	Confident	94	Very high	154 Å²	154	59.8 Å²	59.8	95%	0.945	32%	0.315	S	S	*	.			trans	-93.5	3.4	-176.9	52.4	0	0	0	0	114.2
229	G	85.7	Confident	94	Very high	47 Å²	47	59.8 Å²	59.8	49%	0.485	32%	0.315	S	S	.	.	S	Bend	trans	-140.7	-166.2	178.9	0	0	0	0	0	112.6	V227 L231	V227-G229 VanDerWaalsContact CG1-O 3.28Å; V227-G229 WeakPolarHBondContact CG1-O 3.27Å; G229-L231 PolarHBondContact O-N 3.5Å
230	N	85.1	Confident	94	Very high	121 Å²	121	60.4 Å²	60.4	65%	0.647	32%	0.317	S	S	*	.			trans	-85.9	95	179.3	-64.1	-14.1	0	0	0	109.8	Q232	N230-Q232 PolarHBondContact O-N 3.37Å
231	L	93.4	Very high	94	Very high	52 Å²	52	62.1 Å²	62.1	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113	168	-178.1	64.5	0	0	0	108.6	P144 L147 V222 V227 G229	P144-L231 HydrophobicContact CG-CD2 3.72Å; L147-L231 HydrophobicContact CD1-CD1 4.41Å; L147-L231 HydrophobicContact CD1-CD2 4.48Å; L147-L231 HydrophobicContact CD1-CG 3.9Å; L147-L231 HydrophobicContact CG-CG 4.5Å; V222-L231 PolarHBondContact N-O 3.02Å; V227-L231 HydrophobicContact CG1-CB 3.7Å; V227-L231 HydrophobicContact CG2-CD2 4.11Å; G229-L231 PolarHBondContact O-N 3.5Å
232	Q	95.5	Very high	94	Very high	93 Å²	93	65.8 Å²	65.8	44%	0.435	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.2	-177	63	-175.6	-17.6	0	0	111.3	I219 C220 Q221 N230	I219-Q232 HydrophobicContact CG2-CB 4.11Å; I219-Q232 HydrophobicContact CG2-CG 4.48Å; C220-Q232 CarbonylContact O-C 3.59Å; C220-Q232 WeakPolarHBondContact O-CA 3.41Å; C220-Q232 WeakPolarHBondContact O-CB 3.32Å; Q221-Q232 HydrophobicContact CB-CB 4.18Å; Q221-Q232 HydrophobicContact CG-CB 4.42Å; N230-Q232 PolarHBondContact O-N 3.37Å
233	T	96.2	Very high	94.1	Very high	43 Å²	43	65.9 Å²	65.9	26%	0.264	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161.5	169.1	-172	0	0	0	0	109.2	L147 I149 I219 C220	L147-T233 HydrophobicContact CB-CG2 3.51Å; L147-T233 HydrophobicContact CD1-CG2 4.29Å; I149-T233 HydrophobicContact CD1-CG2 3.78Å; I149-T233 HydrophobicContact CG1-CG2 3.74Å; I219-T233 WeakPolarHBondContact CA-O 3.42Å; C220-T233 HydrophobicContact CB-CG2 4.08Å; C220-T233 PolarHBondContact N-O 2.94Å; C220-T233 PolarHBondContact O-N 2.9Å
234	Q	96.1	Very high	94.1	Very high	94 Å²	94	66.7 Å²	66.7	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.8	-175.5	67.5	-178.6	2.4	0	0	112.6	P217 V218 I219	P217-Q234 HydrophobicContact CB-CB 4.25Å; V218-Q234 CarbonylContact O-C 3.46Å; V218-Q234 VanDerWaalsContact O-CA 3.29Å; V218-Q234 WeakPolarHBondContact O-CA 3.36Å; I219-Q234 HydrophobicContact CG1-CB 3.93Å
235	R	95.7	Very high	94.1	Very high	123 Å²	123	67.1 Å²	67.1	46%	0.464	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.5	174.8	-165.2	66.8	175.3	124.2	6	110	I149 I151 P217 V218	I149-R235 HydrophobicContact CB-CB 4.22Å; I149-R235 HydrophobicContact CD1-CB 4.34Å; I149-R235 HydrophobicContact CG2-CB 3.84Å; I149-R235 HydrophobicContact CG2-CG 4.46Å; I151-R235 HydrophobicContact CD1-CB 4.13Å; I151-R235 HydrophobicContact CD1-CG 3.45Å; I151-R235 VanDerWaalsContact CD1-CG 3.45Å; I151-R235 HydrophobicContact CG1-CG 4.18Å; P217-R235 CarbonylContact C-O 3.53Å; P217-R235 WeakPolarHBondContact CA-O 3.34Å; V218-R235 PolarHBondContact N-O 2.89Å; V218-R235 PolarHBondContact O-N 3.39Å
236	Y	94.6	Very high	94.2	Very high	128 Å²	128	67.7 Å²	67.7	50%	0.502	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.5	178.1	-64.4	-84	0	0	0	110.4	G215 P217	G215-Y236 WeakPolarHBondContact O-CD1 3.44Å; P217-Y236 HydrophobicContact CB-CD1 3.96Å; P217-Y236 HydrophobicContact CB-CE1 3.86Å; P217-Y236 HydrophobicContact CG-CD1 4.41Å; P217-Y236 HydrophobicContact CG-CE1 4.03Å
237	L	93.8	Very high	94.2	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.042	34%	0.341	C	S	.	.			trans	-81	139.7	173.8	-61.1	174.6	0	0	0	110.3	I151 I162 L207 D213 G215 V216 V218 V239	I151-L237 HydrophobicContact CD1-CD2 4.13Å; I162-L237 HydrophobicContact CD1-CD2 3.91Å; L207-L237 HydrophobicContact CD2-CD1 3.7Å; D213-L237 HydrophobicContact CB-CD1 4Å; G215-L237 PolarHBondContact N-O 3.29Å; V216-L237 PolarHBondContact O-N 3.3Å; V218-L237 HydrophobicContact CG2-CD1 3.65Å; V218-L237 HydrophobicContact CG2-CD2 3.95Å; V218-L237 HydrophobicContact CG2-CG 3.79Å; L237-V239 HydrophobicContact CB-CG2 4.25Å
238	E	94.9	Very high	94.3	Very high	91 Å²	91	69.6 Å²	69.6	43%	0.425	35%	0.346	S	S	.	.			trans	-110	110.8	168.6	-171.7	169	-173.9	0	0	109	T155 A156	T155-E238 HydrophobicContact CG2-CG 4.09Å; A156-E238 PolarHBondContact N-O 2.8Å
239	V	96.4	Very high	94.7	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.3	-175.6	-171.6	0	0	0	0	110.2	A156 E158 V209 D213 D214 L237 K272	A156-V239 CarbonylContact O-C 3.56Å; A156-V239 WeakPolarHBondContact O-CA 3.41Å; E158-V239 HydrophobicContact CB-CG1 4.42Å; V209-V239 HydrophobicContact CB-CG1 4.39Å; V209-V239 HydrophobicContact CB-CG2 4.11Å; V209-V239 HydrophobicContact CG1-CG2 4.42Å; V209-V239 HydrophobicContact CG2-CG1 4.26Å; D213-V239 HydrophobicContact CB-CG2 4.33Å; D214-V239 HydrophobicContact CB-CB 4.07Å; D214-V239 PolarHBondContact OD1-N 2.82Å; L237-V239 HydrophobicContact CB-CG2 4.25Å; V239-K272 WeakPolarHBondContact O-CD 3.33Å
240	Q	97	Very high	95.1	Very high	39 Å²	39	64.4 Å²	64.4	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138	171.6	-64.4	-175.4	3.7	0	0	110.4	T155 A156 V157 E158 K272 I318 V319	T155-Q240 HydrophobicContact CG2-CG 3.6Å; A156-Q240 PolarHBondContact O-N 2.81Å; V157-Q240 CarbonylContact C-O 3.57Å; V157-Q240 WeakPolarHBondContact CA-O 3.27Å; E158-Q240 PolarHBondContact N-O 3.16Å; Q240-K272 CarbonylContact C-O 3.58Å; Q240-K272 WeakPolarHBondContact CA-O 3.49Å; Q240-K272 WeakPolarHBondContact CB-O 3.36Å; Q240-I318 VanDerWaalsContact OE1-CD1 3.32Å; Q240-V319 HydrophobicContact CB-CG2 3.61Å
241	Y	97.6	Very high	95.4	Very high	36 Å²	36	64 Å²	64	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.3	-178	53.5	-91	0	0	0	111.4	K211 K272 N317	K211-Y241 HydrophobicContact CB-CD1 3.72Å; K211-Y241 HydrophobicContact CB-CD2 4.26Å; K211-Y241 HydrophobicContact CB-CE1 4.24Å; K211-Y241 HydrophobicContact CB-CG 3.74Å; Y241-K272 HydrophobicContact CD1-CB 3.82Å; Y241-K272 HydrophobicContact CE1-CB 3.41Å; Y241-K272 VanDerWaalsContact CE1-CB 3.41Å; Y241-K272 HydrophobicContact CE1-CD 4.45Å; Y241-K272 HydrophobicContact CE2-CB 4.42Å; Y241-K272 HydrophobicContact CG-CB 4.48Å; Y241-K272 PolarHBondContact N-O 2.86Å; Y241-K272 PolarHBondContact O-N 3.05Å; Y241-K272 VanDerWaalsContact O-O 3.04Å; Y241-N317 PolarHBondContact O-ND2 3.24Å
242	K	96.4	Very high	95.2	Very high	110 Å²	110	62.4 Å²	62.4	48%	0.478	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	156.7	179.1	-62.9	-179.2	-175.8	173	0	110.7	V319	K242-V319 HydrophobicContact CG-CB 4.22Å; K242-V319 HydrophobicContact CG-CG1 3.79Å
243	P	96.8	Very high	94.5	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.032	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	145.1	175.1	-21.6	34.6	0	0	0	111.4	V245 I270 P275 A315 N317 G320 A322	P243-V245 HydrophobicContact CB-CG2 4.47Å; P243-I270 CarbonylContact C-O 3.58Å; P243-I270 WeakPolarHBondContact CA-O 3.24Å; P243-P275 HydrophobicContact CB-CB 4.42Å; P243-P275 HydrophobicContact CB-CG 3.76Å; P243-P275 HydrophobicContact CG-CB 4.13Å; P243-P275 HydrophobicContact CG-CG 3.82Å; P243-A315 HydrophobicContact CB-CB 3.97Å; P243-A315 HydrophobicContact CG-CB 4.37Å; P243-N317 HydrophobicContact CG-CB 4.26Å; P243-G320 WeakPolarHBondContact CD-O 3.36Å; P243-A322 HydrophobicContact CB-CB 4.37Å; P243-A322 WeakPolarHBondContact O-CB 3.47Å
244	Q	95.9	Very high	93.5	Very high	97 Å²	97	71.5 Å²	71.5	45%	0.453	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.3	161	-77.2	171.7	61.9	0	0	107.2	K211 A269 I270	K211-Q244 VanDerWaalsContact CD-NE2 3.25Å; Q244-A269 CarbonylContact O-C 3.55Å; Q244-A269 VanDerWaalsContact O-CA 3.3Å; Q244-A269 WeakPolarHBondContact O-CA 3.49Å; Q244-I270 PolarHBondContact N-O 3.37Å; Q244-I270 PolarHBondContact O-N 2.8Å
245	V	97.1	Very high	92.5	Very high	23 Å²	23	70 Å²	70	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131	-173.5	-174.2	0	0	0	0	109.1	P243 C267 E268 A269 C313 A315 A322 S324	P243-V245 HydrophobicContact CB-CG2 4.47Å; V245-C267 WeakPolarHBondContact CG1-SG 3.32Å; V245-E268 CarbonylContact C-O 3.59Å; V245-E268 WeakPolarHBondContact CA-O 3.27Å; V245-A269 HydrophobicContact CG2-CB 4.35Å; V245-C313 HydrophobicContact CG1-CB 4.12Å; V245-A315 HydrophobicContact CG2-CB 3.57Å; V245-A322 HydrophobicContact CG2-CB 4.01Å; V245-S324 WeakPolarHBondContact O-CB 3.44Å
246	H	96.9	Very high	92	Very high	105 Å²	105	68.1 Å²	68.1	49%	0.486	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.9	174.5	-175.7	59	0	0	0	109.3	Q248 E268	H246-Q248 VanDerWaalsContact CD2-CG 3.45Å; H246-Q248 WeakPolarHBondContact CD2-CG 3.33Å; H246-E268 PolarHBondContact N-O 2.82Å; H246-E268 PolarHBondContact O-N 2.95Å
247	I	96.2	Very high	91.9	Very high	16 Å²	16	62.5 Å²	62.5	8%	0.082	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.6	173.1	-66.6	167.3	0	0	0	108.4	L265 W280 C313 S324 Y326	I247-L265 HydrophobicContact CG2-CB 4.19Å; I247-L265 HydrophobicContact CG2-CD1 4.39Å; I247-L265 HydrophobicContact CG2-CD2 4.28Å; I247-W280 HydrophobicContact CB-CH2 4.24Å; I247-W280 HydrophobicContact CD1-CH2 3.6Å; I247-W280 HydrophobicContact CD1-CZ3 3.59Å; I247-W280 HydrophobicContact CG1-CH2 3.59Å; I247-W280 HydrophobicContact CG1-CZ2 4.37Å; I247-W280 HydrophobicContact CG1-CZ3 4.12Å; I247-W280 HydrophobicContact CG2-CH2 3.66Å; I247-C313 HydrophobicContact CD1-CB 3.97Å; I247-C313 HydrophobicContact CG1-CB 3.94Å; I247-S324 WeakPolarHBondContact CD1-O 3.42Å; I247-Y326 HydrophobicContact CG2-CD2 4.03Å; I247-Y326 HydrophobicContact CG2-CG 4.21Å
248	Q	94.6	Very high	91.9	Very high	75 Å²	75	66.1 Å²	66.1	35%	0.35	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.2	169.9	-63.2	-165.9	3.1	0	0	110	H246 T250 L265 T266 E268	H246-Q248 VanDerWaalsContact CD2-CG 3.45Å; H246-Q248 WeakPolarHBondContact CD2-CG 3.33Å; Q248-T250 PolarHBondContact O-N 3Å; Q248-L265 CarbonylContact O-C 3.59Å; Q248-L265 WeakPolarHBondContact O-CA 3.3Å; Q248-T266 PolarHBondContact N-O 2.97Å; Q248-T266 PolarHBondContact O-N 3.5Å; Q248-E268 VanDerWaalsContact CD-CD 3.49Å; Q248-E268 PolarHBondContact NE2-OE1 2.82Å; Q248-E268 VanDerWaalsContact NE2-OE1 3.15Å; Q248-E268 PolarHBondContact NE2-OE2 2.88Å; Q248-E268 PolarHBondContact OE1-OE1 2.74Å
249	M	94	Very high	91.8	Very high	53 Å²	53	65.9 Å²	65.9	26%	0.261	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	105.7	169.7	-177.6	-177.3	178.7	0	0	108.7	P252 T257 L263 L265 Y326	M249-P252 HydrophobicContact CE-CG 3.49Å; M249-P252 VanDerWaalsContact CE-CG 3.49Å; M249-P252 WeakPolarHBondContact CE-O 3.32Å; M249-T257 HydrophobicContact CE-CG2 3.55Å; M249-L263 HydrophobicContact CE-CD1 3.9Å; M249-L263 HydrophobicContact CG-CD1 4.24Å; M249-L265 HydrophobicContact CB-CD2 3.88Å; M249-L265 HydrophobicContact CG-CD2 3.99Å; M249-Y326 HydrophobicContact CB-CE2 4.17Å; M249-Y326 HydrophobicContact SD-CE2 4.4Å; M249-Y326 PolarHBondContact SD-OH 3.5Å
250	T	92.6	Very high	91.6	Very high	40 Å²	40	67.8 Å²	67.8	25%	0.245	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-25.4	-178.3	44.5	0	0	0	0	112.1	Q248 L253 E264 T266	Q248-T250 PolarHBondContact O-N 3Å; T250-L253 WeakPolarHBondContact O-CD2 3.44Å; T250-L253 WeakPolarHBondContact O-CG 3.3Å; T250-E264 PolarHBondContact N-O 3.31Å; T250-E264 VanDerWaalsContact OG1-CB 3.31Å; T250-E264 WeakPolarHBondContact OG1-CB 3.3Å; T250-E264 WeakPolarHBondContact OG1-CG 3.38Å; T250-E264 PolarHBondContact OG1-O 3.43Å; T250-E264 VanDerWaalsContact OG1-O 3.11Å; T250-T266 VanDerWaalsContact CG2-OG1 3.3Å; T250-T266 WeakPolarHBondContact CG2-OG1 3.43Å
251	Y	92.2	Very high	91.4	Very high	113 Å²	113	68.5 Å²	68.5	44%	0.443	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.6	172.2	-172.6	-91.9	0	0	0	113.1	A262 L263 E264	Y251-A262 HydrophobicContact CD1-CB 4.03Å; Y251-A262 WeakPolarHBondContact CD1-O 3.35Å; Y251-A262 HydrophobicContact CE1-CB 3.88Å; Y251-A262 WeakPolarHBondContact CE1-O 3.35Å; Y251-L263 WeakPolarHBondContact O-CA 3.37Å; Y251-E264 PolarHBondContact N-O 3.49Å; Y251-E264 PolarHBondContact O-N 3.05Å
252	P	88.3	Confident	91.2	Very high	17 Å²	17	67.6 Å²	67.6	11%	0.11	35%	0.353	C	S	.	.	S	Bend	cis	-63.4	139.6	-13.8	25.3	-36.1	0	0	0	112.4	M249 Q254 T257 A262	M249-P252 HydrophobicContact CE-CG 3.49Å; M249-P252 VanDerWaalsContact CE-CG 3.49Å; M249-P252 WeakPolarHBondContact CE-O 3.32Å; P252-Q254 PolarHBondContact O-N 3.35Å; P252-T257 HydrophobicContact CG-CG2 4.32Å; P252-A262 WeakPolarHBondContact CD-O 3.34Å
253	L	81.9	Confident	91.2	Very high	146 Å²	146	62.4 Å²	62.4	76%	0.764	33%	0.33	S	S	*	.	S	Bend	trans	-62.7	-27.4	179.9	-71.2	168.8	0	0	0	112.9	T250	T250-L253 WeakPolarHBondContact O-CD2 3.44Å; T250-L253 WeakPolarHBondContact O-CG 3.3Å
254	Q	74.3	Confident	91.2	Very high	181 Å²	181	65.1 Å²	65.1	85%	0.846	34%	0.342	S	S	*	.	S	Bend	trans	-149.7	139.3	-179.9	-63.1	-174	-11.5	0	0	109.9	P252	P252-Q254 PolarHBondContact O-N 3.35Å
255	G	76.1	Confident	91.2	Very high	63 Å²	63	60.5 Å²	60.5	65%	0.649	32%	0.321	S	S	*	.	S	Bend	trans	112.6	176.7	177.3	0	0	0	0	0	113.5
256	L	85.1	Confident	91.2	Very high	84 Å²	84	60.4 Å²	60.4	44%	0.44	32%	0.321	S	S	.	.			trans	-84.3	142.1	175.6	-60.5	175.2	0	0	0	109.2	R258 Y331	L256-R258 PolarHBondContact O-N 3.46Å; L256-Y331 HydrophobicContact CB-CD2 3.63Å; L256-Y331 HydrophobicContact CB-CE2 3.96Å; L256-Y331 HydrophobicContact CB-CG 4.15Å; L256-Y331 HydrophobicContact CD1-CD1 4.06Å; L256-Y331 HydrophobicContact CD1-CD2 4.12Å; L256-Y331 HydrophobicContact CD1-CE1 4.12Å; L256-Y331 HydrophobicContact CD1-CE2 4.19Å; L256-Y331 HydrophobicContact CD1-CG 4.04Å; L256-Y331 HydrophobicContact CD2-CD2 4.22Å; L256-Y331 HydrophobicContact CD2-CE2 3.66Å; L256-Y331 HydrophobicContact CG-CD2 4.19Å; L256-Y331 HydrophobicContact CG-CE2 4.13Å
257	T	92.4	Very high	91.1	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	30%	0.299	C	S	.	.			trans	-69.4	113	169.4	33.7	0	0	0	0	110	M249 P252 L263 L303 L328 Y329 V330 Y331	M249-T257 HydrophobicContact CE-CG2 3.55Å; P252-T257 HydrophobicContact CG-CG2 4.32Å; T257-L263 HydrophobicContact CG2-CD1 3.98Å; T257-L303 HydrophobicContact CG2-CD1 3.92Å; T257-L328 HydrophobicContact CG2-CD1 3.97Å; T257-Y329 PolarHBondContact OG1-O 3.19Å; T257-V330 CarbonylContact O-C 3.58Å; T257-V330 WeakPolarHBondContact O-CA 3.44Å; T257-Y331 WeakPolarHBondContact O-CD2 3.39Å; T257-Y331 PolarHBondContact O-N 2.84Å
258	R	92.7	Very high	91.1	Very high	85 Å²	85	58.7 Å²	58.7	32%	0.321	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-104.8	161.3	-179.7	-56.2	-179.4	-177.3	-97.9	0.7	111.9	L256 G260 D261 Y331 D332	L256-R258 PolarHBondContact O-N 3.46Å; R258-G260 PolarHBondContact O-N 3.06Å; R258-D261 WeakPolarHBondContact CB-OD2 3.39Å; R258-D261 PolarHBondContact N-OD2 2.67Å; R258-D261 VanDerWaalsContact O-CB 3.3Å; R258-D261 WeakPolarHBondContact O-CB 3.48Å; R258-D261 PolarHBondContact O-N 3.33Å; R258-Y331 CarbonylContact C-O 3.59Å; R258-Y331 VanDerWaalsContact CA-O 3.22Å; R258-Y331 WeakPolarHBondContact CA-O 3.41Å; R258-D332 PolarHBondContact NH1-O 3.31Å
259	E	94.2	Very high	91.1	Very high	86 Å²	86	56.4 Å²	56.4	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	128.6	171.6	-172	168.7	-166.9	0	0	110	L303 V330 Y331	E259-L303 CarbonylContact C-O 3.57Å; E259-L303 VanDerWaalsContact CA-O 3.31Å; E259-L303 WeakPolarHBondContact CA-O 3.44Å; E259-V330 HydrophobicContact CB-CG1 4.11Å; E259-Y331 PolarHBondContact N-O 2.83Å
260	G	91.3	Very high	91.2	Very high	40 Å²	40	59.4 Å²	59.4	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-14.8	-173.5	0	0	0	0	0	115.6	R258 N302 L303	R258-G260 PolarHBondContact O-N 3.06Å; G260-N302 WeakPolarHBondContact CA-OD1 3.35Å; G260-L303 PolarHBondContact N-O 3.38Å
261	D	93.4	Very high	91.3	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	31%	0.314	S	S	.	.			trans	-71.4	165.8	176.7	-68.9	-20.5	0	0	0	111.5	R258 N302 L303	R258-D261 WeakPolarHBondContact CB-OD2 3.39Å; R258-D261 PolarHBondContact N-OD2 2.67Å; R258-D261 VanDerWaalsContact O-CB 3.3Å; R258-D261 WeakPolarHBondContact O-CB 3.48Å; R258-D261 PolarHBondContact O-N 3.33Å; D261-N302 CarbonylContact O-C 3.56Å; D261-N302 WeakPolarHBondContact O-CA 3.41Å; D261-N302 PolarHBondContact O-N 2.79Å; D261-N302 VanDerWaalsContact O-N 3.08Å; D261-L303 HydrophobicContact CB-CD1 4.32Å; D261-L303 WeakPolarHBondContact O-CG 3.47Å; D261-L303 PolarHBondContact O-N 2.83Å
262	A	93.8	Very high	91.5	Very high	18 Å²	18	55 Å²	55	15%	0.149	30%	0.304	C	S	.	.			trans	-95.8	151.6	164.6	0	0	0	0	0	110	Y251 P252 F299 I300 N301	Y251-A262 HydrophobicContact CD1-CB 4.03Å; Y251-A262 WeakPolarHBondContact CD1-O 3.35Å; Y251-A262 HydrophobicContact CE1-CB 3.88Å; Y251-A262 WeakPolarHBondContact CE1-O 3.35Å; P252-A262 WeakPolarHBondContact CD-O 3.34Å; A262-F299 HydrophobicContact CB-CE2 4.19Å; A262-F299 HydrophobicContact CB-CZ 4.44Å; A262-I300 CarbonylContact C-O 3.58Å; A262-I300 WeakPolarHBondContact CA-O 3.35Å; A262-N301 WeakPolarHBondContact CB-OD1 3.23Å
263	L	95.7	Very high	91.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.4	172	177.6	66.2	0	0	0	108.9	M249 Y251 T257 L265 F299 I300 L303 L328	M249-L263 HydrophobicContact CE-CD1 3.9Å; M249-L263 HydrophobicContact CG-CD1 4.24Å; Y251-L263 WeakPolarHBondContact O-CA 3.37Å; T257-L263 HydrophobicContact CG2-CD1 3.98Å; L263-L265 HydrophobicContact CD1-CD2 3.82Å; L263-L265 HydrophobicContact CD1-CG 4.17Å; L263-L265 HydrophobicContact CD2-CD1 4.27Å; L263-L265 HydrophobicContact CD2-CG 4.23Å; L263-L265 HydrophobicContact CG-CD2 4.29Å; L263-L265 HydrophobicContact CG-CG 4.07Å; L263-F299 CarbonylContact O-C 3.56Å; L263-F299 WeakPolarHBondContact O-CA 3.26Å; L263-F299 WeakPolarHBondContact O-CD2 3.31Å; L263-I300 HydrophobicContact CB-CB 4.38Å; L263-I300 HydrophobicContact CD2-CD1 4.41Å; L263-I300 PolarHBondContact N-O 2.93Å; L263-I300 PolarHBondContact O-N 2.67Å; L263-L303 HydrophobicContact CB-CD1 4.14Å; L263-L303 HydrophobicContact CB-CD2 4.03Å; L263-L303 HydrophobicContact CB-CG 4.33Å; L263-L303 HydrophobicContact CD2-CD2 4.48Å; L263-L328 HydrophobicContact CD2-CD1 3.73Å; L263-L328 HydrophobicContact CD2-CD2 3.67Å; L263-L328 HydrophobicContact CD2-CG 4.25Å
264	E	96.3	Very high	92.6	Very high	62 Å²	62	57.3 Å²	57.3	29%	0.29	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.1	166.9	-163	-176.7	173.6	0	0	109.2	T250 Y251 N297 L298 F299	T250-E264 PolarHBondContact N-O 3.31Å; T250-E264 VanDerWaalsContact OG1-CB 3.31Å; T250-E264 WeakPolarHBondContact OG1-CB 3.3Å; T250-E264 WeakPolarHBondContact OG1-CG 3.38Å; T250-E264 PolarHBondContact OG1-O 3.43Å; T250-E264 VanDerWaalsContact OG1-O 3.11Å; Y251-E264 PolarHBondContact N-O 3.49Å; Y251-E264 PolarHBondContact O-N 3.05Å; E264-N297 PolarHBondContact OE1-ND2 3.03Å; E264-L298 WeakPolarHBondContact CA-O 3.21Å; E264-F299 HydrophobicContact CB-CD2 4.09Å; E264-F299 HydrophobicContact CG-CD2 4.21Å
265	L	96.5	Very high	93.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.7	173.8	-58.6	-178.8	0	0	0	108.9	I247 Q248 M249 L263 W280 N297 L298 Y326	I247-L265 HydrophobicContact CG2-CB 4.19Å; I247-L265 HydrophobicContact CG2-CD1 4.39Å; I247-L265 HydrophobicContact CG2-CD2 4.28Å; Q248-L265 CarbonylContact O-C 3.59Å; Q248-L265 WeakPolarHBondContact O-CA 3.3Å; M249-L265 HydrophobicContact CB-CD2 3.88Å; M249-L265 HydrophobicContact CG-CD2 3.99Å; L263-L265 HydrophobicContact CD1-CD2 3.82Å; L263-L265 HydrophobicContact CD1-CG 4.17Å; L263-L265 HydrophobicContact CD2-CD1 4.27Å; L263-L265 HydrophobicContact CD2-CG 4.23Å; L263-L265 HydrophobicContact CG-CD2 4.29Å; L263-L265 HydrophobicContact CG-CG 4.07Å; L265-W280 HydrophobicContact CB-CH2 3.64Å; L265-W280 HydrophobicContact CB-CZ2 3.85Å; L265-W280 HydrophobicContact CD1-CH2 3.96Å; L265-W280 HydrophobicContact CD1-CZ3 4.1Å; L265-W280 HydrophobicContact CG-CH2 4.46Å; L265-N297 CarbonylContact O-C 3.5Å; L265-N297 VanDerWaalsContact O-CA 3.29Å; L265-N297 WeakPolarHBondContact O-CA 3.42Å; L265-L298 HydrophobicContact CB-CB 4.4Å; L265-L298 HydrophobicContact CD1-CD2 4.27Å; L265-L298 PolarHBondContact N-O 2.66Å; L265-L298 PolarHBondContact O-N 2.84Å; L265-Y326 HydrophobicContact CD1-CD1 3.53Å; L265-Y326 HydrophobicContact CD1-CE1 4.09Å; L265-Y326 HydrophobicContact CD1-CG 3.8Å; L265-Y326 HydrophobicContact CD2-CD1 4.05Å; L265-Y326 HydrophobicContact CD2-CD2 4.07Å; L265-Y326 HydrophobicContact CD2-CE1 3.93Å; L265-Y326 HydrophobicContact CD2-CE2 3.95Å; L265-Y326 HydrophobicContact CD2-CG 4.12Å; L265-Y326 HydrophobicContact CG-CD1 4.45Å
266	T	96.1	Very high	93.9	Very high	22 Å²	22	52.9 Å²	52.9	14%	0.135	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.2	173.4	-68.6	0	0	0	0	109.6	Q248 T250 E268 N297	Q248-T266 PolarHBondContact N-O 2.97Å; Q248-T266 PolarHBondContact O-N 3.5Å; T250-T266 VanDerWaalsContact CG2-OG1 3.3Å; T250-T266 WeakPolarHBondContact CG2-OG1 3.43Å; T266-E268 HydrophobicContact CG2-CG 4.29Å; T266-N297 WeakPolarHBondContact CB-OD1 3.46Å; T266-N297 VanDerWaalsContact CG2-OD1 3.28Å; T266-N297 WeakPolarHBondContact CG2-OD1 3.45Å; T266-N297 PolarHBondContact OG1-OD1 2.94Å
267	C	95.9	Very high	93.7	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.027	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	111.5	174.6	-176.4	0	0	0	0	111.4	V245 V278 W280 P296 C313	V245-C267 WeakPolarHBondContact CG1-SG 3.32Å; C267-V278 HydrophobicContact CB-CG1 3.94Å; C267-W280 HydrophobicContact CB-CZ2 3.66Å; C267-P296 HydrophobicContact CB-CB 4.44Å; C267-P296 WeakPolarHBondContact CB-O 3.17Å; C267-P296 PolarHBondContact N-O 2.66Å; C267-P296 WeakPolarHBondContact O-CB 3.38Å; C267-C313 HydrophobicContact CB-CB 3.67Å; C267-C313 WeakPolarHBondContact CB-SG 3.48Å; C267-C313 WeakPolarHBondContact SG-CB 3.48Å; C267-C313 CovalentContact SG-SG 2Å; C267-C313 PolarHBondContact SG-SG 3.34Å
268	E	95.6	Very high	93.7	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.379	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.6	173.8	-62.9	-176.6	160	0	0	109.6	V245 H246 Q248 T266	V245-E268 CarbonylContact C-O 3.59Å; V245-E268 WeakPolarHBondContact CA-O 3.27Å; H246-E268 PolarHBondContact N-O 2.82Å; H246-E268 PolarHBondContact O-N 2.95Å; Q248-E268 VanDerWaalsContact CD-CD 3.49Å; Q248-E268 PolarHBondContact NE2-OE1 2.82Å; Q248-E268 VanDerWaalsContact NE2-OE1 3.15Å; Q248-E268 PolarHBondContact NE2-OE2 2.88Å; Q248-E268 PolarHBondContact OE1-OE1 2.74Å; T266-E268 HydrophobicContact CG2-CG 4.29Å
269	A	95.8	Very high	93.8	Very high	26 Å²	26	55.6 Å²	55.6	22%	0.215	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	179	0	0	0	0	0	111	Q244 V245 P275 V278 A315	Q244-A269 CarbonylContact O-C 3.55Å; Q244-A269 VanDerWaalsContact O-CA 3.3Å; Q244-A269 WeakPolarHBondContact O-CA 3.49Å; V245-A269 HydrophobicContact CG2-CB 4.35Å; A269-P275 HydrophobicContact CB-CB 4.41Å; A269-P275 HydrophobicContact CB-CG 3.93Å; A269-V278 HydrophobicContact CB-CG2 4.28Å; A269-A315 HydrophobicContact CB-CB 3.53Å
270	I	95	Very high	93.9	Very high	116 Å²	116	52.1 Å²	52.1	60%	0.595	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.3	179.3	-56.3	172.8	0	0	0	108.7	P243 Q244	P243-I270 CarbonylContact C-O 3.58Å; P243-I270 WeakPolarHBondContact CA-O 3.24Å; Q244-I270 PolarHBondContact N-O 3.37Å; Q244-I270 PolarHBondContact O-N 2.8Å
271	G	95.8	Very high	94.1	Very high	7 Å²	7	52.7 Å²	52.7	7%	0.072	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	163	178.7	0	0	0	0	0	110.8	P273 Q274	G271-P273 CarbonylContact C-O 3.55Å; G271-P273 CarbonylContact O-C 3.56Å; G271-P273 VanDerWaalsContact O-C 3.23Å; G271-Q274 WeakPolarHBondContact O-CA 3.22Å; G271-Q274 PolarHBondContact O-N 2.95Å
272	K	96.6	Very high	94.2	Very high	55 Å²	55	51.7 Å²	51.7	24%	0.239	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116	169.8	-170.9	168.8	178.2	-176.4	0	110.1	D214 V239 Q240 Y241	D214-K272 IonicContact OD1-NZ 3.99Å; D214-K272 PolarHBondContact OD1-NZ 3.3Å; D214-K272 WeakPolarHBondContact OD2-CD 3.4Å; D214-K272 WeakPolarHBondContact OD2-CE 3.45Å; D214-K272 IonicContact OD2-NZ 3.7Å; D214-K272 PolarHBondContact OD2-NZ 2.9Å; V239-K272 WeakPolarHBondContact O-CD 3.33Å; Q240-K272 CarbonylContact C-O 3.58Å; Q240-K272 WeakPolarHBondContact CA-O 3.49Å; Q240-K272 WeakPolarHBondContact CB-O 3.36Å; Y241-K272 HydrophobicContact CD1-CB 3.82Å; Y241-K272 HydrophobicContact CE1-CB 3.41Å; Y241-K272 VanDerWaalsContact CE1-CB 3.41Å; Y241-K272 HydrophobicContact CE1-CD 4.45Å; Y241-K272 HydrophobicContact CE2-CB 4.42Å; Y241-K272 HydrophobicContact CG-CB 4.48Å; Y241-K272 PolarHBondContact N-O 2.86Å; Y241-K272 PolarHBondContact O-N 3.05Å; Y241-K272 VanDerWaalsContact O-O 3.04Å
273	P	96.5	Very high	94.3	Very high	47 Å²	47	53.4 Å²	53.4	31%	0.305	29%	0.289	S	S	.	.	S	Bend	cis	-62.1	162.5	-5.7	-21.9	35.3	0	0	0	113.2	G271 N317 I318	G271-P273 CarbonylContact C-O 3.55Å; G271-P273 CarbonylContact O-C 3.56Å; G271-P273 VanDerWaalsContact O-C 3.23Å; P273-N317 WeakPolarHBondContact O-CB 3.23Å; P273-N317 PolarHBondContact O-ND2 2.71Å; P273-I318 HydrophobicContact CG-CD1 3.7Å; P273-I318 HydrophobicContact CG-CG1 3.82Å
274	Q	95.3	Very high	93.9	Very high	164 Å²	164	60 Å²	60	77%	0.766	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-54.6	138.3	177.4	-86.1	-158.8	9.5	0	0	110.9	G271 V276	G271-Q274 WeakPolarHBondContact O-CA 3.22Å; G271-Q274 PolarHBondContact O-N 2.95Å; Q274-V276 PolarHBondContact O-N 2.86Å
275	P	93.9	Very high	93.7	Very high	21 Å²	21	61.7 Å²	61.7	14%	0.136	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61	128.2	179.9	-18.8	31.2	0	0	0	111.2	P243 A269 A315 S316	P243-P275 HydrophobicContact CB-CB 4.42Å; P243-P275 HydrophobicContact CB-CG 3.76Å; P243-P275 HydrophobicContact CG-CB 4.13Å; P243-P275 HydrophobicContact CG-CG 3.82Å; A269-P275 HydrophobicContact CB-CB 4.41Å; A269-P275 HydrophobicContact CB-CG 3.93Å; P275-A315 HydrophobicContact CB-CB 4.24Å; P275-S316 WeakPolarHBondContact CA-O 2.81Å
276	V	84.4	Confident	93.5	Very high	130 Å²	130	69.4 Å²	69.4	79%	0.788	37%	0.371	S	S	*	.	S	Bend	trans	-87.7	-24.7	-178.3	-177.9	0	0	0	0	111.2	Q274 S316	Q274-V276 PolarHBondContact O-N 2.86Å; V276-S316 PolarHBondContact N-O 3.13Å; V276-S316 VanDerWaalsContact N-O 3.17Å
277	M	80.8	Confident	93.5	Very high	119 Å²	119	71 Å²	71	59%	0.586	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	126.5	-178.1	-70.1	179.5	-93	0	0	110	A315 S316	M277-A315 VanDerWaalsContact O-CA 3.28Å; M277-A315 WeakPolarHBondContact O-CA 3.18Å; M277-S316 PolarHBondContact O-N 3.13Å
278	V	92.6	Very high	93.4	Very high	43 Å²	43	71.5 Å²	71.5	26%	0.261	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.1	171.7	-178.7	0	0	0	0	107	C267 A269 P296 C313 E314 A315	C267-V278 HydrophobicContact CB-CG1 3.94Å; A269-V278 HydrophobicContact CB-CG2 4.28Å; V278-P296 HydrophobicContact CG1-CB 4.17Å; V278-C313 VanDerWaalsContact CG1-SG 3.52Å; V278-E314 WeakPolarHBondContact CA-O 3.43Å; V278-A315 HydrophobicContact CG2-CB 4.29Å
279	T	93.9	Very high	93.2	Very high	73 Å²	73	77.4 Å²	77.4	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145	-174.5	52.8	0	0	0	0	111.2	C313 E314	T279-C313 WeakPolarHBondContact O-CA 3.27Å; T279-E314 PolarHBondContact N-O 3.24Å; T279-E314 PolarHBondContact O-N 2.95Å
280	W	96.8	Very high	93.1	Very high	12 Å²	12	79.4 Å²	79.4	5%	0.045	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.1	174.3	-74.5	95.4	0	0	0	111	I247 L265 C267 L293 P296 L298 R312 C313	I247-W280 HydrophobicContact CB-CH2 4.24Å; I247-W280 HydrophobicContact CD1-CH2 3.6Å; I247-W280 HydrophobicContact CD1-CZ3 3.59Å; I247-W280 HydrophobicContact CG1-CH2 3.59Å; I247-W280 HydrophobicContact CG1-CZ2 4.37Å; I247-W280 HydrophobicContact CG1-CZ3 4.12Å; I247-W280 HydrophobicContact CG2-CH2 3.66Å; L265-W280 HydrophobicContact CB-CH2 3.64Å; L265-W280 HydrophobicContact CB-CZ2 3.85Å; L265-W280 HydrophobicContact CD1-CH2 3.96Å; L265-W280 HydrophobicContact CD1-CZ3 4.1Å; L265-W280 HydrophobicContact CG-CH2 4.46Å; C267-W280 HydrophobicContact CB-CZ2 3.66Å; W280-L293 HydrophobicContact CB-CD2 3.51Å; W280-L293 HydrophobicContact CG-CD2 3.85Å; W280-P296 PolarHBondContact NE1-O 2.78Å; W280-L298 HydrophobicContact CD2-CB 3.73Å; W280-L298 HydrophobicContact CD2-CD2 4.01Å; W280-L298 HydrophobicContact CE3-CB 4.3Å; W280-L298 HydrophobicContact CE3-CD2 3.78Å; W280-L298 HydrophobicContact CG-CB 3.89Å; W280-L298 HydrophobicContact CG-CD2 4.43Å; W280-L298 HydrophobicContact CZ2-CB 4.13Å; W280-L298 HydrophobicContact CZ3-CD2 4.17Å; W280-R312 WeakPolarHBondContact CA-O 3.06Å; W280-C313 HydrophobicContact CD2-CB 4.09Å; W280-C313 HydrophobicContact CE3-CB 4.01Å; W280-C313 HydrophobicContact CH2-CB 4.06Å; W280-C313 HydrophobicContact CZ2-CB 4.11Å; W280-C313 HydrophobicContact CZ3-CB 4Å
281	V	95.8	Very high	93.2	Very high	53 Å²	53	74.9 Å²	74.9	32%	0.321	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.5	173.5	-58.6	0	0	0	0	109.2	R312 E314	V281-R312 HydrophobicContact CG2-CB 3.76Å; V281-R312 HydrophobicContact CG2-CG 4.05Å; V281-R312 PolarHBondContact N-O 3.22Å; V281-R312 PolarHBondContact O-N 2.81Å; V281-E314 HydrophobicContact CG2-CG 4.42Å
282	R	95.9	Very high	93.1	Very high	32 Å²	32	78.4 Å²	78.4	12%	0.121	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.1	167.5	-174.8	177.2	-174	-166.6	3.4	107.3	D285 E286 M287 T306 N308 T310	R282-D285 WeakPolarHBondContact CB-O 3.37Å; R282-D285 HydrophobicContact CG-CB 4.36Å; R282-D285 IonicContact CZ-OD2 2.99Å; R282-D285 IonicContact NH1-OD2 3.62Å; R282-D285 PolarHBondContact NH1-OD2 3.29Å; R282-D285 IonicContact NH2-OD2 3.3Å; R282-E286 VanDerWaalsContact CD-O 3.3Å; R282-E286 WeakPolarHBondContact CD-O 3.16Å; R282-E286 PolarHBondContact NH1-O 3.04Å; R282-M287 HydrophobicContact CB-SD 3.79Å; R282-T306 PolarHBondContact NH2-O 2.91Å; R282-N308 PolarHBondContact NH2-O 3.2Å; R282-T310 WeakPolarHBondContact CA-O 3.06Å
283	V	95.1	Very high	93	Very high	55 Å²	55	80.3 Å²	80.3	33%	0.333	43%	0.425	S	S	.	.	S	Bend	trans	-69.3	-43.5	-164.4	178.3	0	0	0	0	112	T310 R312	V283-T310 HydrophobicContact CB-CG2 4.46Å; V283-T310 HydrophobicContact CG2-CG2 3.76Å; V283-T310 PolarHBondContact N-O 3.48Å; V283-R312 HydrophobicContact CG2-CB 3.77Å
284	D	86.6	Confident	92.8	Very high	138 Å²	138	82 Å²	82	74%	0.738	44%	0.438	S	S	*	.	S	Bend	trans	-109.9	-1	-169.9	-57	-56.7	0	0	0	113.5
285	D	92.6	Very high	92.4	Very high	97 Å²	97	77 Å²	77	52%	0.519	43%	0.431	S	S	.	.	S	Bend	trans	-156.6	172	-172.9	-161.3	4.5	0	0	0	111.3	R282	R282-D285 WeakPolarHBondContact CB-O 3.37Å; R282-D285 HydrophobicContact CG-CB 4.36Å; R282-D285 IonicContact CZ-OD2 2.99Å; R282-D285 IonicContact NH1-OD2 3.62Å; R282-D285 PolarHBondContact NH1-OD2 3.29Å; R282-D285 IonicContact NH2-OD2 3.3Å
286	E	93.4	Very high	92.3	Very high	163 Å²	163	78.8 Å²	78.8	76%	0.762	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-70.6	149.9	172.5	-65.7	-174.5	176.1	0	0	111.4	R282	R282-E286 VanDerWaalsContact CD-O 3.3Å; R282-E286 WeakPolarHBondContact CD-O 3.16Å; R282-E286 PolarHBondContact NH1-O 3.04Å
287	M	95.2	Very high	92.9	Very high	55 Å²	55	74.5 Å²	74.5	27%	0.271	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-59	135	173.3	-74.3	-64.1	-64.3	0	0	109.7	R282 Q289 A291 L293 L298 Y311	R282-M287 HydrophobicContact CB-SD 3.79Å; M287-Q289 PolarHBondContact O-N 2.6Å; M287-A291 HydrophobicContact CE-CB 3.87Å; M287-L293 HydrophobicContact CE-CD2 4.37Å; M287-L298 HydrophobicContact CE-CD1 3.48Å; M287-L298 VanDerWaalsContact CE-CD1 3.48Å; M287-L298 HydrophobicContact CE-CD2 4.06Å; M287-L298 HydrophobicContact CE-CG 4.45Å; M287-Y311 HydrophobicContact CE-CD1 4.26Å; M287-Y311 HydrophobicContact CE-CE1 4.25Å; M287-Y311 HydrophobicContact SD-CD1 4.19Å; M287-Y311 HydrophobicContact SD-CE1 4.29Å
288	P	93.7	Very high	93.6	Very high	14 Å²	14	68.9 Å²	68.9	9%	0.091	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-55.3	140.6	177.5	-22.7	31.2	0	0	0	111.6	H290 A291 I300 Y311	P288-H290 VanDerWaalsContact CB-CE1 3.43Å; P288-H290 WeakPolarHBondContact CB-CE1 3.31Å; P288-H290 PolarHBondContact O-N 3.27Å; P288-H290 VanDerWaalsContact O-N 3.15Å; P288-A291 HydrophobicContact CB-CB 4.3Å; P288-A291 WeakPolarHBondContact O-CB 3.47Å; P288-A291 PolarHBondContact O-N 3.13Å; P288-I300 HydrophobicContact CG-CD1 4.44Å; P288-Y311 HydrophobicContact CG-CE1 4.41Å; P288-Y311 WeakPolarHBondContact CG-OH 3.31Å
289	Q	92.4	Very high	93.8	Very high	205 Å²	205	70 Å²	70	96%	0.958	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.2	-177.1	-68.1	-175.2	-6.4	0	0	113.3	M287	M287-Q289 PolarHBondContact O-N 2.6Å
290	H	94	Very high	94	Very high	68 Å²	68	66.5 Å²	66.5	32%	0.315	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5	175.3	57.3	-70.5	0	0	0	113.7	P288 I300 N301 D307	P288-H290 VanDerWaalsContact CB-CE1 3.43Å; P288-H290 WeakPolarHBondContact CB-CE1 3.31Å; P288-H290 PolarHBondContact O-N 3.27Å; P288-H290 VanDerWaalsContact O-N 3.15Å; H290-I300 VanDerWaalsContact CD2-CG2 3.41Å; H290-I300 WeakPolarHBondContact CD2-CG2 3.38Å; H290-I300 WeakPolarHBondContact NE2-CG2 3.47Å; H290-N301 PolarHBondContact CD2-O 2.77Å; H290-N301 VanDerWaalsContact CD2-O 3.32Å; H290-D307 IonicContact CE1-OD1 3.14Å; H290-D307 PolarHBondContact CE1-OD1 2.95Å; H290-D307 IonicContact CE1-OD2 2.94Å; H290-D307 IonicContact NE2-OD1 2.67Å; H290-D307 PolarHBondContact NE2-OD1 2.03Å; H290-D307 VanDerWaalsContact NE2-OD1 3.14Å; H290-D307 IonicContact NE2-OD2 3.54Å; H290-D307 PolarHBondContact NE2-OD2 2.77Å
291	A	95.4	Very high	93.8	Very high	22 Å²	22	69.9 Å²	69.9	18%	0.182	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.7	171.4	0	0	0	0	0	110.7	M287 P288 L298 F299 I300	M287-A291 HydrophobicContact CE-CB 3.87Å; P288-A291 HydrophobicContact CB-CB 4.3Å; P288-A291 WeakPolarHBondContact O-CB 3.47Å; P288-A291 PolarHBondContact O-N 3.13Å; A291-L298 HydrophobicContact CB-CD1 3.94Å; A291-F299 CarbonylContact C-O 3.54Å; A291-F299 WeakPolarHBondContact CA-O 3.33Å; A291-I300 HydrophobicContact CB-CD1 4.47Å; A291-I300 HydrophobicContact CB-CG1 4.03Å
292	V	95.4	Very high	93.7	Very high	81 Å²	81	72.9 Å²	72.9	49%	0.491	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	179.1	-177.9	0	0	0	0	109	F299	V292-F299 HydrophobicContact CB-CB 4.39Å; V292-F299 HydrophobicContact CB-CD1 4.44Å; V292-F299 PolarHBondContact N-O 2.91Å; V292-F299 PolarHBondContact O-N 3.09Å
293	L	94.5	Very high	93.7	Very high	94 Å²	94	71.4 Å²	71.4	49%	0.492	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121	176.3	-61.6	173.7	0	0	0	109.5	W280 M287 N297 L298	W280-L293 HydrophobicContact CB-CD2 3.51Å; W280-L293 HydrophobicContact CG-CD2 3.85Å; M287-L293 HydrophobicContact CE-CD2 4.37Å; L293-N297 WeakPolarHBondContact CA-O 3.25Å; L293-L298 HydrophobicContact CD2-CB 4.13Å; L293-L298 HydrophobicContact CD2-CD1 3.7Å; L293-L298 HydrophobicContact CD2-CG 4.48Å
294	S	90.9	Very high	93.7	Very high	82 Å²	82	71 Å²	71	57%	0.573	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	90.9	178.4	-171.8	0	0	0	0	109.6	N297	S294-N297 PolarHBondContact N-O 3.42Å; S294-N297 PolarHBondContact O-N 2.83Å
295	G	87.4	Confident	94	Very high	61 Å²	61	69.4 Å²	69.4	63%	0.629	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-120.7	-173.1	0	0	0	0	0	111.1	N297	G295-N297 VanDerWaalsContact C-N 3.27Å; G295-N297 PolarHBondContact O-N 2.87Å
296	P	92.6	Very high	94.1	Very high	58 Å²	58	69.8 Å²	69.8	38%	0.377	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.1	177.2	33.1	-34.7	0	0	0	114.1	C267 V278 W280	C267-P296 HydrophobicContact CB-CB 4.44Å; C267-P296 WeakPolarHBondContact CB-O 3.17Å; C267-P296 PolarHBondContact N-O 2.66Å; C267-P296 WeakPolarHBondContact O-CB 3.38Å; V278-P296 HydrophobicContact CG1-CB 4.17Å; W280-P296 PolarHBondContact NE1-O 2.78Å
297	N	95.6	Very high	94.1	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.214	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.5	-175.2	-64.6	-4.8	0	0	0	112	E264 L265 T266 L293 S294 G295	E264-N297 PolarHBondContact OE1-ND2 3.03Å; L265-N297 CarbonylContact O-C 3.5Å; L265-N297 VanDerWaalsContact O-CA 3.29Å; L265-N297 WeakPolarHBondContact O-CA 3.42Å; T266-N297 WeakPolarHBondContact CB-OD1 3.46Å; T266-N297 VanDerWaalsContact CG2-OD1 3.28Å; T266-N297 WeakPolarHBondContact CG2-OD1 3.45Å; T266-N297 PolarHBondContact OG1-OD1 2.94Å; L293-N297 WeakPolarHBondContact CA-O 3.25Å; S294-N297 PolarHBondContact N-O 3.42Å; S294-N297 PolarHBondContact O-N 2.83Å; G295-N297 VanDerWaalsContact C-N 3.27Å; G295-N297 PolarHBondContact O-N 2.87Å
298	L	96.7	Very high	94.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	169.2	166	62.4	0	0	0	108.8	E264 L265 W280 M287 A291 L293 I300 Y311	E264-L298 WeakPolarHBondContact CA-O 3.21Å; L265-L298 HydrophobicContact CB-CB 4.4Å; L265-L298 HydrophobicContact CD1-CD2 4.27Å; L265-L298 PolarHBondContact N-O 2.66Å; L265-L298 PolarHBondContact O-N 2.84Å; W280-L298 HydrophobicContact CD2-CB 3.73Å; W280-L298 HydrophobicContact CD2-CD2 4.01Å; W280-L298 HydrophobicContact CE3-CB 4.3Å; W280-L298 HydrophobicContact CE3-CD2 3.78Å; W280-L298 HydrophobicContact CG-CB 3.89Å; W280-L298 HydrophobicContact CG-CD2 4.43Å; W280-L298 HydrophobicContact CZ2-CB 4.13Å; W280-L298 HydrophobicContact CZ3-CD2 4.17Å; M287-L298 HydrophobicContact CE-CD1 3.48Å; M287-L298 VanDerWaalsContact CE-CD1 3.48Å; M287-L298 HydrophobicContact CE-CD2 4.06Å; M287-L298 HydrophobicContact CE-CG 4.45Å; A291-L298 HydrophobicContact CB-CD1 3.94Å; L293-L298 HydrophobicContact CD2-CB 4.13Å; L293-L298 HydrophobicContact CD2-CD1 3.7Å; L293-L298 HydrophobicContact CD2-CG 4.48Å; L298-I300 HydrophobicContact CD1-CD1 4.45Å; L298-I300 HydrophobicContact CD1-CG1 4.09Å; L298-I300 HydrophobicContact CG-CG1 4.38Å; L298-Y311 HydrophobicContact CD2-CD1 3.51Å; L298-Y311 HydrophobicContact CD2-CE1 4.17Å; L298-Y311 HydrophobicContact CD2-CG 4.11Å
299	F	97.1	Very high	94.2	Very high	66 Å²	66	62.4 Å²	62.4	29%	0.289	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	-179.9	-178.1	-110	0	0	0	111	A262 L263 E264 A291 V292 N301	A262-F299 HydrophobicContact CB-CE2 4.19Å; A262-F299 HydrophobicContact CB-CZ 4.44Å; L263-F299 CarbonylContact O-C 3.56Å; L263-F299 WeakPolarHBondContact O-CA 3.26Å; L263-F299 WeakPolarHBondContact O-CD2 3.31Å; E264-F299 HydrophobicContact CB-CD2 4.09Å; E264-F299 HydrophobicContact CG-CD2 4.21Å; A291-F299 CarbonylContact C-O 3.54Å; A291-F299 WeakPolarHBondContact CA-O 3.33Å; V292-F299 HydrophobicContact CB-CB 4.39Å; V292-F299 HydrophobicContact CB-CD1 4.44Å; V292-F299 PolarHBondContact N-O 2.91Å; V292-F299 PolarHBondContact O-N 3.09Å; F299-N301 HydrophobicContact CE1-CB 4.18Å; F299-N301 WeakPolarHBondContact CE1-ND2 3.35Å; F299-N301 VanDerWaalsContact CE1-OD1 3.3Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.45Å; F299-N301 WeakPolarHBondContact CZ-ND2 3.35Å; F299-N301 WeakPolarHBondContact CZ-OD1 3.41Å
300	I	96.6	Very high	94.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.9	177.1	-52	-179.7	0	0	0	107.6	A262 L263 P288 H290 A291 L298 L303 Y311	A262-I300 CarbonylContact C-O 3.58Å; A262-I300 WeakPolarHBondContact CA-O 3.35Å; L263-I300 HydrophobicContact CB-CB 4.38Å; L263-I300 HydrophobicContact CD2-CD1 4.41Å; L263-I300 PolarHBondContact N-O 2.93Å; L263-I300 PolarHBondContact O-N 2.67Å; P288-I300 HydrophobicContact CG-CD1 4.44Å; H290-I300 VanDerWaalsContact CD2-CG2 3.41Å; H290-I300 WeakPolarHBondContact CD2-CG2 3.38Å; H290-I300 WeakPolarHBondContact NE2-CG2 3.47Å; A291-I300 HydrophobicContact CB-CD1 4.47Å; A291-I300 HydrophobicContact CB-CG1 4.03Å; L298-I300 HydrophobicContact CD1-CD1 4.45Å; L298-I300 HydrophobicContact CD1-CG1 4.09Å; L298-I300 HydrophobicContact CG-CG1 4.38Å; I300-L303 HydrophobicContact CB-CD2 4.16Å; I300-L303 HydrophobicContact CG2-CD2 3.83Å; I300-Y311 HydrophobicContact CD1-CE1 3.65Å
301	N	94.1	Very high	94.6	Very high	83 Å²	83	50.2 Å²	50.2	44%	0.444	30%	0.299	S	S	.	.			trans	-89.2	148.7	177.2	-99.1	-19.7	0	0	0	111.5	A262 H290 F299	A262-N301 WeakPolarHBondContact CB-OD1 3.23Å; H290-N301 PolarHBondContact CD2-O 2.77Å; H290-N301 VanDerWaalsContact CD2-O 3.32Å; F299-N301 HydrophobicContact CE1-CB 4.18Å; F299-N301 WeakPolarHBondContact CE1-ND2 3.35Å; F299-N301 VanDerWaalsContact CE1-OD1 3.3Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.45Å; F299-N301 WeakPolarHBondContact CZ-ND2 3.35Å; F299-N301 WeakPolarHBondContact CZ-OD1 3.41Å
302	N	92.9	Very high	94.7	Very high	117 Å²	117	51.8 Å²	51.8	63%	0.626	30%	0.3	S	S	*	.	S	Bend	trans	54.2	60.6	172.9	-172.6	49.8	0	0	0	112	G260 D261	G260-N302 WeakPolarHBondContact CA-OD1 3.35Å; D261-N302 CarbonylContact O-C 3.56Å; D261-N302 WeakPolarHBondContact O-CA 3.41Å; D261-N302 PolarHBondContact O-N 2.79Å; D261-N302 VanDerWaalsContact O-N 3.08Å
303	L	95.5	Very high	94.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.277	C	S	.	.			trans	-51.1	141	-177.8	-74.3	176.6	0	0	0	112.2	T257 E259 G260 D261 L263 I300 D307 L328 V330	T257-L303 HydrophobicContact CG2-CD1 3.92Å; E259-L303 CarbonylContact C-O 3.57Å; E259-L303 VanDerWaalsContact CA-O 3.31Å; E259-L303 WeakPolarHBondContact CA-O 3.44Å; G260-L303 PolarHBondContact N-O 3.38Å; D261-L303 HydrophobicContact CB-CD1 4.32Å; D261-L303 WeakPolarHBondContact O-CG 3.47Å; D261-L303 PolarHBondContact O-N 2.83Å; L263-L303 HydrophobicContact CB-CD1 4.14Å; L263-L303 HydrophobicContact CB-CD2 4.03Å; L263-L303 HydrophobicContact CB-CG 4.33Å; L263-L303 HydrophobicContact CD2-CD2 4.48Å; I300-L303 HydrophobicContact CB-CD2 4.16Å; I300-L303 HydrophobicContact CG2-CD2 3.83Å; L303-D307 HydrophobicContact CD2-CB 4.38Å; L303-L328 HydrophobicContact CD2-CD2 3.94Å; L303-V330 HydrophobicContact CB-CG1 4.1Å; L303-V330 HydrophobicContact CB-CG2 4.19Å; L303-V330 HydrophobicContact CD1-CG2 4.36Å; L303-V330 HydrophobicContact CD2-CG2 4.4Å
304	N	94.3	Very high	94.8	Very high	45 Å²	45	46.5 Å²	46.5	24%	0.241	27%	0.268	C	S	.	.			trans	-129.6	169.2	173.6	70.5	45.9	0	0	0	111.3	T306 D307 V330	N304-T306 VanDerWaalsContact CG-OG1 3.32Å; N304-T306 PolarHBondContact ND2-OG1 3.29Å; N304-T306 PolarHBondContact O-N 3.4Å; N304-T306 VanDerWaalsContact OD1-CA 3.24Å; N304-T306 WeakPolarHBondContact OD1-CA 3.22Å; N304-T306 WeakPolarHBondContact OD1-CB 3.39Å; N304-T306 PolarHBondContact OD1-N 2.95Å; N304-T306 PolarHBondContact OD1-OG1 3.42Å; N304-D307 PolarHBondContact N-OD2 3.43Å; N304-D307 WeakPolarHBondContact O-CB 3.41Å; N304-D307 PolarHBondContact O-N 3.39Å; N304-D307 VanDerWaalsContact O-N 3.11Å; N304-D307 VanDerWaalsContact OD1-CG 3.29Å; N304-D307 PolarHBondContact OD1-N 3.47Å; N304-D307 PolarHBondContact OD1-OD1 2.96Å; N304-D307 PolarHBondContact OD1-OD2 3.49Å; N304-V330 WeakPolarHBondContact O-CG2 3.37Å
305	K	93.8	Very high	95.1	Very high	105 Å²	105	42.7 Å²	42.7	46%	0.457	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-66.5	-17.1	179.6	-65.7	-165.7	-179.6	-176.5	0	115	D307 N308 D332	K305-D307 VanDerWaalsContact C-N 3.33Å; K305-N308 WeakPolarHBondContact O-CB 3.3Å; K305-N308 PolarHBondContact O-ND2 2.95Å; K305-D332 WeakPolarHBondContact CE-OD1 3.4Å; K305-D332 IonicContact NZ-OD1 3.8Å; K305-D332 PolarHBondContact NZ-OD1 2.78Å; K305-D332 IonicContact NZ-OD2 3Å
306	T	93.9	Very high	95.5	Very high	106 Å²	106	40.7 Å²	40.7	65%	0.65	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-80	-15.8	174.9	68.8	0	0	0	0	112.9	R282 N304 N308	R282-T306 PolarHBondContact NH2-O 2.91Å; N304-T306 VanDerWaalsContact CG-OG1 3.32Å; N304-T306 PolarHBondContact ND2-OG1 3.29Å; N304-T306 PolarHBondContact O-N 3.4Å; N304-T306 VanDerWaalsContact OD1-CA 3.24Å; N304-T306 WeakPolarHBondContact OD1-CA 3.22Å; N304-T306 WeakPolarHBondContact OD1-CB 3.39Å; N304-T306 PolarHBondContact OD1-N 2.95Å; N304-T306 PolarHBondContact OD1-OG1 3.42Å; T306-N308 PolarHBondContact O-N 3.14Å
307	D	94.9	Very high	95.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-77	-12.1	175.9	-60	-28.5	0	0	0	112.6	H290 L303 N304 K305 G309 Y311 L328	H290-D307 IonicContact CE1-OD1 3.14Å; H290-D307 PolarHBondContact CE1-OD1 2.95Å; H290-D307 IonicContact CE1-OD2 2.94Å; H290-D307 IonicContact NE2-OD1 2.67Å; H290-D307 PolarHBondContact NE2-OD1 2.03Å; H290-D307 VanDerWaalsContact NE2-OD1 3.14Å; H290-D307 IonicContact NE2-OD2 3.54Å; H290-D307 PolarHBondContact NE2-OD2 2.77Å; L303-D307 HydrophobicContact CD2-CB 4.38Å; N304-D307 PolarHBondContact N-OD2 3.43Å; N304-D307 WeakPolarHBondContact O-CB 3.41Å; N304-D307 PolarHBondContact O-N 3.39Å; N304-D307 VanDerWaalsContact O-N 3.11Å; N304-D307 VanDerWaalsContact OD1-CG 3.29Å; N304-D307 PolarHBondContact OD1-N 3.47Å; N304-D307 PolarHBondContact OD1-OD1 2.96Å; N304-D307 PolarHBondContact OD1-OD2 3.49Å; K305-D307 VanDerWaalsContact C-N 3.33Å; D307-G309 PolarHBondContact O-N 3.39Å; D307-Y311 WeakPolarHBondContact O-CE2 3.26Å; D307-Y311 PolarHBondContact O-OH 3.38Å; D307-L328 HydrophobicContact CB-CD2 4.24Å
308	N	94.9	Very high	95.6	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.294	23%	0.227	S	C	.	.			trans	-53.4	135.1	176.1	-76.6	-40.6	0	0	0	112	R282 K305 T306 L328 Y329 V330	R282-N308 PolarHBondContact NH2-O 3.2Å; K305-N308 WeakPolarHBondContact O-CB 3.3Å; K305-N308 PolarHBondContact O-ND2 2.95Å; T306-N308 PolarHBondContact O-N 3.14Å; N308-L328 PolarHBondContact OD1-O 3.48Å; N308-Y329 VanDerWaalsContact OD1-CA 3.31Å; N308-Y329 WeakPolarHBondContact OD1-CA 3.44Å; N308-V330 PolarHBondContact OD1-N 2.96Å
309	G	95	Very high	95.5	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-173	176.5	0	0	0	0	0	113.5	D307 L328	D307-G309 PolarHBondContact O-N 3.39Å; G309-L328 PolarHBondContact N-O 3.06Å; G309-L328 PolarHBondContact O-N 3.29Å
310	T	97.6	Very high	95.4	Very high	17 Å²	17	42.5 Å²	42.5	10%	0.104	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.6	-178.5	-47.5	0	0	0	0	110.6	R282 V283 D325 M327	R282-T310 WeakPolarHBondContact CA-O 3.06Å; V283-T310 HydrophobicContact CB-CG2 4.46Å; V283-T310 HydrophobicContact CG2-CG2 3.76Å; V283-T310 PolarHBondContact N-O 3.48Å; T310-D325 HydrophobicContact CG2-CB 3.75Å; T310-M327 PolarHBondContact OG1-SD 2.97Å
311	Y	96.8	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.8	173	-65.6	-94	0	0	0	108.9	M287 P288 L298 I300 D307 Y326 L328	M287-Y311 HydrophobicContact CE-CD1 4.26Å; M287-Y311 HydrophobicContact CE-CE1 4.25Å; M287-Y311 HydrophobicContact SD-CD1 4.19Å; M287-Y311 HydrophobicContact SD-CE1 4.29Å; P288-Y311 HydrophobicContact CG-CE1 4.41Å; P288-Y311 WeakPolarHBondContact CG-OH 3.31Å; L298-Y311 HydrophobicContact CD2-CD1 3.51Å; L298-Y311 HydrophobicContact CD2-CE1 4.17Å; L298-Y311 HydrophobicContact CD2-CG 4.11Å; I300-Y311 HydrophobicContact CD1-CE1 3.65Å; D307-Y311 WeakPolarHBondContact O-CE2 3.26Å; D307-Y311 PolarHBondContact O-OH 3.38Å; Y311-Y326 PolarHBondContact N-O 3.46Å; Y311-Y326 PolarHBondContact O-N 3.04Å; Y311-L328 HydrophobicContact CD2-CB 3.93Å; Y311-L328 HydrophobicContact CD2-CD2 4.49Å; Y311-L328 HydrophobicContact CE2-CB 3.7Å; Y311-L328 HydrophobicContact CE2-CD2 3.66Å; Y311-L328 HydrophobicContact CE2-CG 4.34Å
312	R	97.5	Very high	95.5	Very high	55 Å²	55	47 Å²	47	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.2	-177.7	173.6	171.5	-65.6	173.1	2	109.9	W280 V281 V283 E314 H323 S324 D325	W280-R312 WeakPolarHBondContact CA-O 3.06Å; V281-R312 HydrophobicContact CG2-CB 3.76Å; V281-R312 HydrophobicContact CG2-CG 4.05Å; V281-R312 PolarHBondContact N-O 3.22Å; V281-R312 PolarHBondContact O-N 2.81Å; V283-R312 HydrophobicContact CG2-CB 3.77Å; R312-E314 WeakPolarHBondContact CD-OE1 3.29Å; R312-E314 HydrophobicContact CG-CG 3.82Å; R312-H323 HydrophobicContact CG-CB 3.87Å; R312-H323 PolarHBondContact NE-CD2 3.18Å; R312-S324 WeakPolarHBondContact CA-O 3.36Å; R312-D325 VanDerWaalsContact CB-OD1 3.25Å; R312-D325 WeakPolarHBondContact CB-OD1 3.39Å; R312-D325 VanDerWaalsContact CG-OD1 3.26Å; R312-D325 WeakPolarHBondContact CG-OD1 3.38Å; R312-D325 IonicContact CZ-OD1 2.65Å; R312-D325 IonicContact CZ-OD2 2.78Å; R312-D325 IonicContact NE-OD1 3.83Å; R312-D325 PolarHBondContact NE-OD1 3.11Å; R312-D325 IonicContact NE-OD2 2.97Å; R312-D325 IonicContact NH2-OD1 3.74Å; R312-D325 PolarHBondContact NH2-OD1 2.81Å; R312-D325 IonicContact NH2-OD2 3.82Å; R312-D325 PolarHBondContact NH2-OD2 3.25Å
313	C	97.1	Very high	95.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.1	163.6	-179	0	0	0	0	109.4	V245 I247 C267 V278 T279 W280 H323 S324	V245-C313 HydrophobicContact CG1-CB 4.12Å; I247-C313 HydrophobicContact CD1-CB 3.97Å; I247-C313 HydrophobicContact CG1-CB 3.94Å; C267-C313 HydrophobicContact CB-CB 3.67Å; C267-C313 WeakPolarHBondContact CB-SG 3.48Å; C267-C313 WeakPolarHBondContact SG-CB 3.48Å; C267-C313 CovalentContact SG-SG 2Å; C267-C313 PolarHBondContact SG-SG 3.34Å; V278-C313 VanDerWaalsContact CG1-SG 3.52Å; T279-C313 WeakPolarHBondContact O-CA 3.27Å; W280-C313 HydrophobicContact CD2-CB 4.09Å; W280-C313 HydrophobicContact CE3-CB 4.01Å; W280-C313 HydrophobicContact CH2-CB 4.06Å; W280-C313 HydrophobicContact CZ2-CB 4.11Å; W280-C313 HydrophobicContact CZ3-CB 4Å; C313-H323 CarbonylContact O-C 3.48Å; C313-H323 WeakPolarHBondContact O-CA 3.29Å; C313-H323 VanDerWaalsContact O-CB 3.26Å; C313-H323 WeakPolarHBondContact O-CB 3.43Å; C313-S324 PolarHBondContact N-O 3.1Å; C313-S324 PolarHBondContact O-N 3.28Å
314	E	96.3	Very high	95.8	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.9	174.3	-55.5	-165	163.2	0	0	110.3	V278 T279 V281 R312 H323	V278-E314 WeakPolarHBondContact CA-O 3.43Å; T279-E314 PolarHBondContact N-O 3.24Å; T279-E314 PolarHBondContact O-N 2.95Å; V281-E314 HydrophobicContact CG2-CG 4.42Å; R312-E314 WeakPolarHBondContact CD-OE1 3.29Å; R312-E314 HydrophobicContact CG-CG 3.82Å; E314-H323 HydrophobicContact CG-CB 4.03Å
315	A	97	Very high	96	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	173.8	0	0	0	0	0	111.1	P243 V245 A269 P275 M277 V278 K321 A322	P243-A315 HydrophobicContact CB-CB 3.97Å; P243-A315 HydrophobicContact CG-CB 4.37Å; V245-A315 HydrophobicContact CG2-CB 3.57Å; A269-A315 HydrophobicContact CB-CB 3.53Å; P275-A315 HydrophobicContact CB-CB 4.24Å; M277-A315 VanDerWaalsContact O-CA 3.28Å; M277-A315 WeakPolarHBondContact O-CA 3.18Å; V278-A315 HydrophobicContact CG2-CB 4.29Å; A315-K321 WeakPolarHBondContact O-CA 3.34Å; A315-A322 PolarHBondContact N-O 3.08Å; A315-A322 PolarHBondContact O-N 2.73Å; A315-A322 VanDerWaalsContact O-O 3.14Å
316	S	95.6	Very high	96.1	Very high	19 Å²	19	46.1 Å²	46.1	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.7	179.1	66	0	0	0	0	114.4	P275 V276 M277 G320	P275-S316 WeakPolarHBondContact CA-O 2.81Å; V276-S316 PolarHBondContact N-O 3.13Å; V276-S316 VanDerWaalsContact N-O 3.17Å; M277-S316 PolarHBondContact O-N 3.13Å; S316-G320 WeakPolarHBondContact CA-O 3.29Å
317	N	96.3	Very high	96.2	Very high	20 Å²	20	45.6 Å²	45.6	11%	0.107	24%	0.238	C	C	.	.			trans	-132.4	-173.7	168.7	72.2	2.9	0	0	0	110	Y241 P243 P273 V319 G320	Y241-N317 PolarHBondContact O-ND2 3.24Å; P243-N317 HydrophobicContact CG-CB 4.26Å; P273-N317 WeakPolarHBondContact O-CB 3.23Å; P273-N317 PolarHBondContact O-ND2 2.71Å; N317-V319 PolarHBondContact O-N 3.4Å; N317-V319 WeakPolarHBondContact OD1-CA 3.47Å; N317-V319 WeakPolarHBondContact OD1-CB 3.48Å; N317-V319 PolarHBondContact OD1-N 2.99Å; N317-G320 PolarHBondContact N-O 2.94Å; N317-G320 PolarHBondContact O-N 2.9Å; N317-G320 PolarHBondContact OD1-N 3.01Å; N317-G320 VanDerWaalsContact OD1-N 3.1Å; N317-G320 PolarHBondContact OD1-O 2.86Å
318	I	94.2	Very high	96.2	Very high	133 Å²	133	45.5 Å²	45.5	68%	0.682	24%	0.238	S	C	*	.	S	Bend	trans	-64.2	-19.6	-179.1	62.4	171	0	0	0	114	Q240 P273	Q240-I318 VanDerWaalsContact OE1-CD1 3.32Å; P273-I318 HydrophobicContact CG-CD1 3.7Å; P273-I318 HydrophobicContact CG-CG1 3.82Å
319	V	95.1	Very high	96.2	Very high	31 Å²	31	49.2 Å²	49.2	19%	0.188	25%	0.249	C	C	.	.	S	Bend	trans	-85.1	-32.3	179.5	-171.3	0	0	0	0	111.1	V157 Q240 K242 N317	V157-V319 HydrophobicContact CG1-CG1 3.62Å; Q240-V319 HydrophobicContact CB-CG2 3.61Å; K242-V319 HydrophobicContact CG-CB 4.22Å; K242-V319 HydrophobicContact CG-CG1 3.79Å; N317-V319 PolarHBondContact O-N 3.4Å; N317-V319 WeakPolarHBondContact OD1-CA 3.47Å; N317-V319 WeakPolarHBondContact OD1-CB 3.48Å; N317-V319 PolarHBondContact OD1-N 2.99Å
320	G	94.6	Very high	96.2	Very high	19 Å²	19	48.9 Å²	48.9	20%	0.196	24%	0.243	C	C	.	.			trans	162.3	-162.6	175.7	0	0	0	0	0	114.5	P243 S316 N317	P243-G320 WeakPolarHBondContact CD-O 3.36Å; S316-G320 WeakPolarHBondContact CA-O 3.29Å; N317-G320 PolarHBondContact N-O 2.94Å; N317-G320 PolarHBondContact O-N 2.9Å; N317-G320 PolarHBondContact OD1-N 3.01Å; N317-G320 VanDerWaalsContact OD1-N 3.1Å; N317-G320 PolarHBondContact OD1-O 2.86Å
321	K	95.5	Very high	95.9	Very high	155 Å²	155	53.1 Å²	53.1	67%	0.674	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.6	-178.4	-49.6	-166.3	175.2	-177.3	0	111	A315	A315-K321 WeakPolarHBondContact O-CA 3.34Å
322	A	96.8	Very high	95.6	Very high	23 Å²	23	57.3 Å²	57.3	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.3	169.1	0	0	0	0	0	109.8	P243 V245 A315	P243-A322 HydrophobicContact CB-CB 4.37Å; P243-A322 WeakPolarHBondContact O-CB 3.47Å; V245-A322 HydrophobicContact CG2-CB 4.01Å; A315-A322 PolarHBondContact N-O 3.08Å; A315-A322 PolarHBondContact O-N 2.73Å; A315-A322 VanDerWaalsContact O-O 3.14Å
323	H	97	Very high	94.9	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.458	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.8	179.3	67.2	-86.7	0	0	0	111.4	R312 C313 E314 D325	R312-H323 HydrophobicContact CG-CB 3.87Å; R312-H323 PolarHBondContact NE-CD2 3.18Å; C313-H323 CarbonylContact O-C 3.48Å; C313-H323 WeakPolarHBondContact O-CA 3.29Å; C313-H323 VanDerWaalsContact O-CB 3.26Å; C313-H323 WeakPolarHBondContact O-CB 3.43Å; E314-H323 HydrophobicContact CG-CB 4.03Å; H323-D325 IonicContact CD2-OD1 2.71Å
324	S	97.8	Very high	94	Very high	31 Å²	31	62.2 Å²	62.2	22%	0.217	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.2	169.5	-167.9	0	0	0	0	108.5	V245 I247 R312 C313	V245-S324 WeakPolarHBondContact O-CB 3.44Å; I247-S324 WeakPolarHBondContact CD1-O 3.42Å; R312-S324 WeakPolarHBondContact CA-O 3.36Å; C313-S324 PolarHBondContact N-O 3.1Å; C313-S324 PolarHBondContact O-N 3.28Å
325	D	97.6	Very high	92.7	Very high	71 Å²	71	65.4 Å²	65.4	38%	0.38	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.9	-175.6	-70.6	-10.2	0	0	0	110.1	T310 R312 H323	T310-D325 HydrophobicContact CG2-CB 3.75Å; R312-D325 VanDerWaalsContact CB-OD1 3.25Å; R312-D325 WeakPolarHBondContact CB-OD1 3.39Å; R312-D325 VanDerWaalsContact CG-OD1 3.26Å; R312-D325 WeakPolarHBondContact CG-OD1 3.38Å; R312-D325 IonicContact CZ-OD1 2.65Å; R312-D325 IonicContact CZ-OD2 2.78Å; R312-D325 IonicContact NE-OD1 3.83Å; R312-D325 PolarHBondContact NE-OD1 3.11Å; R312-D325 IonicContact NE-OD2 2.97Å; R312-D325 IonicContact NH2-OD1 3.74Å; R312-D325 PolarHBondContact NH2-OD1 2.81Å; R312-D325 IonicContact NH2-OD2 3.82Å; R312-D325 PolarHBondContact NH2-OD2 3.25Å; H323-D325 IonicContact CD2-OD1 2.71Å
326	Y	96.3	Very high	91	Very high	48 Å²	48	71.5 Å²	71.5	19%	0.188	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	173.7	-177.4	-85.7	0	0	0	109.5	I247 M249 L265 Y311 L328	I247-Y326 HydrophobicContact CG2-CD2 4.03Å; I247-Y326 HydrophobicContact CG2-CG 4.21Å; M249-Y326 HydrophobicContact CB-CE2 4.17Å; M249-Y326 HydrophobicContact SD-CE2 4.4Å; M249-Y326 PolarHBondContact SD-OH 3.5Å; L265-Y326 HydrophobicContact CD1-CD1 3.53Å; L265-Y326 HydrophobicContact CD1-CE1 4.09Å; L265-Y326 HydrophobicContact CD1-CG 3.8Å; L265-Y326 HydrophobicContact CD2-CD1 4.05Å; L265-Y326 HydrophobicContact CD2-CD2 4.07Å; L265-Y326 HydrophobicContact CD2-CE1 3.93Å; L265-Y326 HydrophobicContact CD2-CE2 3.95Å; L265-Y326 HydrophobicContact CD2-CG 4.12Å; L265-Y326 HydrophobicContact CG-CD1 4.45Å; Y311-Y326 PolarHBondContact N-O 3.46Å; Y311-Y326 PolarHBondContact O-N 3.04Å; Y326-L328 HydrophobicContact CE1-CB 4.27Å; Y326-L328 HydrophobicContact CE1-CD1 4.39Å
327	M	96	Very high	89.3	Confident	95 Å²	95	77.7 Å²	77.7	47%	0.468	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.7	179.9	-168.5	78.2	70	0	0	109.7	T310 Y329	T310-M327 PolarHBondContact OG1-SD 2.97Å; M327-Y329 HydrophobicContact CB-CE2 4.14Å; M327-Y329 HydrophobicContact CG-CD2 4.07Å; M327-Y329 HydrophobicContact CG-CE1 4.34Å; M327-Y329 HydrophobicContact CG-CE2 3.28Å; M327-Y329 VanDerWaalsContact CG-CZ 3.44Å; M327-Y329 WeakPolarHBondContact CG-OH 3.45Å
328	L	95.2	Very high	87.6	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127	177.9	179.4	59.4	0	0	0	111.1	T257 L263 L303 D307 N308 G309 Y311 Y326 V330	T257-L328 HydrophobicContact CG2-CD1 3.97Å; L263-L328 HydrophobicContact CD2-CD1 3.73Å; L263-L328 HydrophobicContact CD2-CD2 3.67Å; L263-L328 HydrophobicContact CD2-CG 4.25Å; L303-L328 HydrophobicContact CD2-CD2 3.94Å; D307-L328 HydrophobicContact CB-CD2 4.24Å; N308-L328 PolarHBondContact OD1-O 3.48Å; G309-L328 PolarHBondContact N-O 3.06Å; G309-L328 PolarHBondContact O-N 3.29Å; Y311-L328 HydrophobicContact CD2-CB 3.93Å; Y311-L328 HydrophobicContact CD2-CD2 4.49Å; Y311-L328 HydrophobicContact CE2-CB 3.7Å; Y311-L328 HydrophobicContact CE2-CD2 3.66Å; Y311-L328 HydrophobicContact CE2-CG 4.34Å; Y326-L328 HydrophobicContact CE1-CB 4.27Å; Y326-L328 HydrophobicContact CE1-CD1 4.39Å; L328-V330 HydrophobicContact CD1-CG2 4.38Å; L328-V330 HydrophobicContact CD2-CG2 4.25Å; L328-V330 HydrophobicContact CG-CG2 4.1Å
329	Y	94.5	Very high	86.1	Confident	133 Å²	133	80.4 Å²	80.4	52%	0.522	44%	0.438	S	S	.	.			trans	-122.8	115.4	170.1	-65.6	-72.3	0	0	0	110.7	T257 N308 M327 Y331	T257-Y329 PolarHBondContact OG1-O 3.19Å; N308-Y329 VanDerWaalsContact OD1-CA 3.31Å; N308-Y329 WeakPolarHBondContact OD1-CA 3.44Å; M327-Y329 HydrophobicContact CB-CE2 4.14Å; M327-Y329 HydrophobicContact CG-CD2 4.07Å; M327-Y329 HydrophobicContact CG-CE1 4.34Å; M327-Y329 HydrophobicContact CG-CE2 3.28Å; M327-Y329 VanDerWaalsContact CG-CZ 3.44Å; M327-Y329 WeakPolarHBondContact CG-OH 3.45Å; Y329-Y331 VanDerWaalsContact O-CD2 3.3Å; Y329-Y331 WeakPolarHBondContact O-CD2 3.35Å; Y329-Y331 WeakPolarHBondContact O-CE2 3.17Å
330	V	95.2	Very high	84.3	Confident	12 Å²	12	84.3 Å²	84.3	7%	0.073	46%	0.464	C	S	.	.			trans	-93.4	113.6	179.5	-174.8	0	0	0	0	109.6	T257 E259 L303 N304 N308 L328	T257-V330 CarbonylContact O-C 3.58Å; T257-V330 WeakPolarHBondContact O-CA 3.44Å; E259-V330 HydrophobicContact CB-CG1 4.11Å; L303-V330 HydrophobicContact CB-CG1 4.1Å; L303-V330 HydrophobicContact CB-CG2 4.19Å; L303-V330 HydrophobicContact CD1-CG2 4.36Å; L303-V330 HydrophobicContact CD2-CG2 4.4Å; N304-V330 WeakPolarHBondContact O-CG2 3.37Å; N308-V330 PolarHBondContact OD1-N 2.96Å; L328-V330 HydrophobicContact CD1-CG2 4.38Å; L328-V330 HydrophobicContact CD2-CG2 4.25Å; L328-V330 HydrophobicContact CG-CG2 4.1Å
331	Y	92.8	Very high	82.2	Confident	105 Å²	105	89.7 Å²	89.7	41%	0.412	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-89.8	159.2	-179	-67.3	-92.3	0	0	0	112	L256 T257 R258 E259 Y329	L256-Y331 HydrophobicContact CB-CD2 3.63Å; L256-Y331 HydrophobicContact CB-CE2 3.96Å; L256-Y331 HydrophobicContact CB-CG 4.15Å; L256-Y331 HydrophobicContact CD1-CD1 4.06Å; L256-Y331 HydrophobicContact CD1-CD2 4.12Å; L256-Y331 HydrophobicContact CD1-CE1 4.12Å; L256-Y331 HydrophobicContact CD1-CE2 4.19Å; L256-Y331 HydrophobicContact CD1-CG 4.04Å; L256-Y331 HydrophobicContact CD2-CD2 4.22Å; L256-Y331 HydrophobicContact CD2-CE2 3.66Å; L256-Y331 HydrophobicContact CG-CD2 4.19Å; L256-Y331 HydrophobicContact CG-CE2 4.13Å; T257-Y331 WeakPolarHBondContact O-CD2 3.39Å; T257-Y331 PolarHBondContact O-N 2.84Å; R258-Y331 CarbonylContact C-O 3.59Å; R258-Y331 VanDerWaalsContact CA-O 3.22Å; R258-Y331 WeakPolarHBondContact CA-O 3.41Å; E259-Y331 PolarHBondContact N-O 2.83Å; Y329-Y331 VanDerWaalsContact O-CD2 3.3Å; Y329-Y331 WeakPolarHBondContact O-CD2 3.35Å; Y329-Y331 WeakPolarHBondContact O-CE2 3.17Å
332	D	89.5	Confident	80	Confident	89 Å²	89	88 Å²	88	48%	0.476	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-63.2	149.5	174.1	-68.4	-48.2	0	0	0	111.7	R258 K305	R258-D332 PolarHBondContact NH1-O 3.31Å; K305-D332 WeakPolarHBondContact CE-OD1 3.4Å; K305-D332 IonicContact NZ-OD1 3.8Å; K305-D332 PolarHBondContact NZ-OD1 2.78Å; K305-D332 IonicContact NZ-OD2 3Å
333	P	83.2	Confident	77.5	Confident	67 Å²	67	92.3 Å²	92.3	44%	0.435	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.9	149.2	171.2	27.7	-32.8	0	0	0	109.5	T335	P333-T335 PolarHBondContact O-N 2.81Å; P333-T335 VanDerWaalsContact O-N 3.1Å
334	P	77.3	Confident	74.8	Confident	91 Å²	91	93.3 Å²	93.3	59%	0.591	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-59.5	120.1	179.7	24.3	-31.7	0	0	0	110.1	T336	P334-T336 PolarHBondContact O-N 2.88Å
335	T	70.4	Confident	72	Confident	131 Å²	131	97.1 Å²	97.1	80%	0.804	56%	0.555	S	S	*	*			trans	-72.9	110.2	177.5	-11.7	0	0	0	0	108.7	P333 I337	P333-T335 PolarHBondContact O-N 2.81Å; P333-T335 VanDerWaalsContact O-N 3.1Å; T335-I337 PolarHBondContact O-N 2.83Å
336	T	59.3	Low	69.3	Low	130 Å²	130	99.8 Å²	99.8	80%	0.798	57%	0.574	S	S	*	*			trans	-72.3	93.8	167.1	53.4	0	0	0	0	107.9	P334 P338	P334-T336 PolarHBondContact O-N 2.88Å; T336-P338 VanDerWaalsContact O-CD 3.28Å; T336-P338 WeakPolarHBondContact O-CD 3.33Å
337	I	61.4	Low	66.6	Low	148 Å²	148	103.5 Å²	103.5	76%	0.759	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.6	166	-59.1	175.2	0	0	0	105.9	T335	T335-I337 PolarHBondContact O-N 2.83Å
338	P	59.1	Low	63.7	Low	101 Å²	101	104.4 Å²	104.4	66%	0.656	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.1	138.6	174.3	24.5	-31.3	0	0	0	108.5	T336	T336-P338 VanDerWaalsContact O-CD 3.28Å; T336-P338 WeakPolarHBondContact O-CD 3.33Å
339	P	63	Low	61	Low	110 Å²	110	110.4 Å²	110.4	71%	0.714	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53.6	139.3	177.7	21.9	-31.7	0	0	0	109.1	T341	P339-T341 PolarHBondContact O-N 2.79Å
340	P	57.7	Low	58.3	Low	113 Å²	113	110.1 Å²	110.1	73%	0.734	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-55.4	118.8	-179.1	22.2	-31.9	0	0	0	108.7	T342	P340-T342 PolarHBondContact O-N 2.85Å; P340-T342 PolarHBondContact O-OG1 3.4Å
341	T	50.2	Low	55.5	Low	132 Å²	132	116.2 Å²	116.2	81%	0.81	70%	0.7	S	S	*	*			trans	-55.9	102.6	174.2	-48.5	0	0	0	0	107.5	P339 T343	P339-T341 PolarHBondContact O-N 2.79Å; T341-T343 VanDerWaalsContact C-N 3.34Å; T341-T343 PolarHBondContact O-N 2.95Å
342	T	49.4	Very low	52.9	Low	118 Å²	118	117.3 Å²	117.3	72%	0.724	72%	0.717	S	S	*	*			trans	-78.9	89.2	-179.8	-47.7	0	0	0	0	107	P340 T344	P340-T342 PolarHBondContact O-N 2.85Å; P340-T342 PolarHBondContact O-OG1 3.4Å; T342-T344 PolarHBondContact O-N 3.47Å; T342-T344 PolarHBondContact O-OG1 3.46Å
343	T	44.3	Very low	50.2	Low	114 Å²	114	118.9 Å²	118.9	70%	0.699	73%	0.73	S	S	*	*			trans	-61.6	106.3	169.3	-46.3	0	0	0	0	107.3	T341 T345	T341-T343 VanDerWaalsContact C-N 3.34Å; T341-T343 PolarHBondContact O-N 2.95Å; T343-T345 VanDerWaalsContact C-N 3.34Å; T343-T345 PolarHBondContact O-N 3.29Å
344	T	41.8	Very low	48.5	Very low	120 Å²	120	123.3 Å²	123.3	74%	0.736	75%	0.749	S	S	*	*			trans	-75.5	87.2	-179.2	-51.4	0	0	0	0	108.3	T342 T346	T342-T344 PolarHBondContact O-N 3.47Å; T342-T344 PolarHBondContact O-OG1 3.46Å; T344-T346 PolarHBondContact O-N 3.29Å
345	T	38.7	Very low	46.4	Very low	112 Å²	112	126.8 Å²	126.8	69%	0.687	76%	0.761	S	S	*	*			trans	-82.3	106.3	166.5	-47.1	0	0	0	0	107.7	T343 T347	T343-T345 VanDerWaalsContact C-N 3.34Å; T343-T345 PolarHBondContact O-N 3.29Å; T345-T347 PolarHBondContact O-N 2.96Å
346	T	39.8	Very low	44.9	Very low	126 Å²	126	127.2 Å²	127.2	77%	0.773	76%	0.764	S	S	*	*			trans	-71.1	106.9	175.5	-32.4	0	0	0	0	108.9	T344	T344-T346 PolarHBondContact O-N 3.29Å
347	T	39.5	Very low	43.9	Very low	126 Å²	126	128.1 Å²	128.1	77%	0.773	76%	0.763	S	S	*	*			trans	-132.1	115.3	163.2	-0.6	0	0	0	0	109.7	T345	T345-T347 PolarHBondContact O-N 2.96Å
348	T	36	Very low	43.1	Very low	114 Å²	114	128.1 Å²	128.1	70%	0.699	76%	0.762	S	S	*	*			trans	-67	136	178.9	29.8	0	0	0	0	113.2
349	T	38.3	Very low	41.9	Very low	127 Å²	127	128.8 Å²	128.8	78%	0.779	77%	0.765	S	S	*	*			trans	61.5	134	147.7	58	0	0	0	0	117.2
350	T	38.2	Very low	40.4	Very low	127 Å²	127	130 Å²	130	78%	0.779	77%	0.765	S	S	*	*			cis	-157.2	141.3	48.7	39.3	0	0	0	0	111.6
351	T	36.5	Very low	39.3	Very low	139 Å²	139	129.4 Å²	129.4	85%	0.853	76%	0.76	S	S	*	*			trans	-75.8	125.5	174.6	-26.8	0	0	0	0	111.1
352	T	36.8	Very low	38.5	Very low	128 Å²	128	129.1 Å²	129.1	79%	0.785	76%	0.758	S	S	*	*			trans	-128.7	117.4	159.6	-50.6	0	0	0	0	108.7
353	T	34.3	Very low	37.9	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	76%	0.762	S	S	*	*			trans	-65.8	132.8	177.9	40	0	0	0	0	113.2
354	I	46.3	Very low	37.3	Very low	161 Å²	161	128.3 Å²	128.3	83%	0.826	76%	0.763	S	S	*	*			trans	-145.1	122.8	145.5	-56.7	-176.3	0	0	0	109.3
355	L	34.6	Very low	37	Very low	163 Å²	163	128.7 Å²	128.7	85%	0.853	77%	0.766	S	S	*	*			trans	-90	134.9	168.4	-81.7	152.4	0	0	0	109.1
356	T	37.4	Very low	37	Very low	140 Å²	140	131 Å²	131	86%	0.859	77%	0.768	S	S	*	*			trans	-160.8	155.4	148.1	27.4	0	0	0	0	112.6
357	I	39.3	Very low	37.2	Very low	150 Å²	150	130.9 Å²	130.9	77%	0.769	77%	0.77	S	S	*	*			trans	-112.3	163.7	-150.3	-49.7	169.9	0	0	0	109.4
358	I	44	Very low	36.8	Very low	147 Å²	147	128.4 Å²	128.4	75%	0.754	76%	0.762	S	S	*	*			trans	107.3	129.6	147.6	-45.4	177.7	0	0	0	116.7
359	T	34.1	Very low	36.7	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	77%	0.771	S	S	*	*			trans	-35.6	159.5	163.5	51	0	0	0	0	114.6
360	D	31.2	Very low	36.5	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	78%	0.776	S	S	*	*				-179.9	160	64.2	-149	-19.5	0	0	0	112.1
361	T	35.2	Very low	36.2	Very low	100 Å²	100	133.6 Å²	133.6	61%	0.613	78%	0.775	S	S	*	*			trans	54.4	121.1	146.5	12.4	0	0	0	0	125.3
362	T	33.4	Very low	36.4	Very low	126 Å²	126	132.1 Å²	132.1	77%	0.773	77%	0.77	S	S	*	*			trans	54.7	119.2	132.4	52.5	0	0	0	0	122.2
363	A	36.7	Very low	36.2	Very low	98 Å²	98	138 Å²	138	81%	0.81	78%	0.778	S	S	*	*			trans	-126.8	126.7	152.2	0	0	0	0	0	107.3
364	T	30.9	Very low	36.3	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	78%	0.782	S	S	*	*			cis	90.4	98.1	48	-57.5	0	0	0	0	112.5
365	T	36.4	Very low	35.7	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	79%	0.785	S	S	*	*			trans	54	129.3	136.2	65.4	0	0	0	0	123
366	E	37.7	Very low	35.9	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	79%	0.787	S	S	*	*			trans	-36.7	162.4	149.5	-141.8	-174.5	142.7	0	0	116
367	P	44	Very low	35.9	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	79%	0.79	S	S	*	*				-144.5	152.6	95.4	36	-19.7	0	0	0	116.6
368	A	31.6	Very low	35.8	Very low	75 Å²	75	134.3 Å²	134.3	62%	0.62	79%	0.793	S	S	*	*			trans	-79.9	152.6	169.7	0	0	0	0	0	114.1
369	V	34.2	Very low	35.2	Very low	144 Å²	144	132.7 Å²	132.7	87%	0.873	80%	0.795	S	S	*	*			trans	-144.5	123.5	162.1	177.7	0	0	0	0	108.7
370	H	34.4	Very low	35.5	Very low	191 Å²	191	135.2 Å²	135.2	88%	0.884	80%	0.802	S	S	*	*			trans	-137	129.1	165.8	-152.5	-57.3	0	0	0	109
371	D	31.3	Very low	36.2	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	81%	0.809	S	S	*	*			trans	-110.2	157.7	179.7	-167.2	15	0	0	0	110.7
372	S	40	Very low	36.7	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	82%	0.817	S	S	*	*			trans	-110.6	149	-170.8	-56.3	0	0	0	0	111.6
373	R	33.2	Very low	37.6	Very low	253 Å²	253	138.5 Å²	138.5	96%	0.955	81%	0.811	S	S	*	*			trans	-161.9	134.9	142.9	-147.6	173.1	176.6	118.8	-2.2	113.9
374	A	36.5	Very low	38.3	Very low	102 Å²	102	139.7 Å²	139.7	84%	0.843	80%	0.803	S	S	*	*			trans	-89.2	159.5	173.4	0	0	0	0	0	112.7
375	G	33.4	Very low	39.7	Very low	85 Å²	85	142.2 Å²	142.2	88%	0.876	81%	0.806	S	S	*	*			trans	-167.5	128.2	166.2	0	0	0	0	0	110.2
376	E	39.3	Very low	40.7	Very low	191 Å²	191	140 Å²	140	89%	0.893	80%	0.802	S	S	*	*			trans	-113.1	142	-170.1	179.3	170.2	177	0	0	110
377	E	37.5	Very low	41.8	Very low	199 Å²	199	137.1 Å²	137.1	93%	0.93	80%	0.795	S	S	*	*			trans	179.9	147.2	139.2	-104.7	179.7	-179.4	0	0	111.6
378	G	36.2	Very low	42.5	Very low	81 Å²	81	135.6 Å²	135.6	84%	0.835	78%	0.779	S	S	*	*			trans	-104.4	-172.3	-155.9	0	0	0	0	0	118.1
379	S	32.5	Very low	44.3	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	77%	0.771	S	S	*	*			trans	-171.1	107.7	155.6	-174.1	0	0	0	0	109.4
380	I	40.3	Very low	46.3	Very low	170 Å²	170	129.2 Å²	129.2	87%	0.872	75%	0.749	S	S	*	*			trans	-79.4	115	170.3	-63.5	175.5	0	0	0	106.9	A382	I380-A382 PolarHBondContact O-N 3.34Å
381	R	44.6	Very low	48.4	Very low	231 Å²	231	124.4 Å²	124.4	87%	0.872	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-73.6	122.5	173.6	-73.9	-175.8	175.1	177.8	-1.1	109.9
382	A	47.4	Very low	50.8	Low	93 Å²	93	121.7 Å²	121.7	77%	0.769	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-60.9	135.1	167.6	0	0	0	0	0	110.1	I380	I380-A382 PolarHBondContact O-N 3.34Å
383	V	51.1	Low	52.9	Low	106 Å²	106	119.5 Å²	119.5	64%	0.642	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-81.9	119.3	173.8	-179.9	0	0	0	0	107.9	H385 I388	V383-H385 PolarHBondContact O-N 2.99Å; V383-H385 VanDerWaalsContact O-N 3.14Å; V383-I388 HydrophobicContact CG1-CD1 4.13Å
384	D	52.5	Low	55.5	Low	122 Å²	122	112.3 Å²	112.3	65%	0.652	69%	0.694	S	S	*	*			trans	-62	113.4	175.9	-81.7	-40.1	0	0	0	110.8	A386 V387	D384-A386 PolarHBondContact O-N 3.07Å; D384-V387 HydrophobicContact CB-CG2 4.46Å; D384-V387 PolarHBondContact O-N 3.4Å; D384-V387 VanDerWaalsContact O-N 3.13Å
385	H	59.5	Low	58	Low	170 Å²	170	111.2 Å²	111.2	79%	0.787	68%	0.676	S	S	*	*	H	α-helix	trans	-57.6	-9.7	176	-73.4	-83.4	0	0	0	114.3	V383	V383-H385 PolarHBondContact O-N 2.99Å; V383-H385 VanDerWaalsContact O-N 3.14Å
386	A	58.3	Low	60.7	Low	84 Å²	84	111 Å²	111	69%	0.694	66%	0.658	S	S	*	*	H	α-helix	trans	-76	-31.8	175.9	0	0	0	0	0	113.5	D384 G390	D384-A386 PolarHBondContact O-N 3.07Å; A386-G390 PolarHBondContact O-N 2.95Å
387	V	60	Low	63.3	Low	98 Å²	98	108.8 Å²	108.8	59%	0.594	65%	0.645	S	S	*	*	H	α-helix	trans	-73.7	-35.4	-179.4	-177.4	0	0	0	0	110.7	D384 G390 V391	D384-V387 HydrophobicContact CB-CG2 4.46Å; D384-V387 PolarHBondContact O-N 3.4Å; D384-V387 VanDerWaalsContact O-N 3.13Å; V387-G390 PolarHBondContact O-N 2.55Å; V387-V391 WeakPolarHBondContact O-CG2 3.23Å; V387-V391 PolarHBondContact O-N 2.73Å
388	I	59.8	Low	65.9	Low	92 Å²	92	101.9 Å²	101.9	47%	0.472	62%	0.623	S	S	.	*	H	α-helix	trans	-66.7	-38.2	177.7	-58.6	172.6	0	0	0	110.6	V383 V392	V383-I388 HydrophobicContact CG1-CD1 4.13Å; I388-V392 WeakPolarHBondContact O-CG2 3.44Å; I388-V392 PolarHBondContact O-N 3.07Å; I388-V392 VanDerWaalsContact O-N 3.16Å
389	G	69	Low	68.6	Low	45 Å²	45	103.7 Å²	103.7	46%	0.464	61%	0.611	S	S	.	*	H	α-helix	trans	-66.4	-38	176.1	0	0	0	0	0	113.8	A393	G389-A393 WeakPolarHBondContact O-CB 3.5Å; G389-A393 PolarHBondContact O-N 2.7Å
390	G	74.9	Confident	71.5	Confident	40 Å²	40	103 Å²	103	41%	0.412	60%	0.598	S	S	.	*	H	α-helix	trans	-67.1	-44.8	177.7	0	0	0	0	0	112.9	A386 V387 V392 A393 V394	A386-G390 PolarHBondContact O-N 2.95Å; V387-G390 PolarHBondContact O-N 2.55Å; G390-V392 PolarHBondContact O-N 2.82Å; G390-A393 PolarHBondContact O-N 3.16Å; G390-V394 WeakPolarHBondContact O-CG2 3.4Å; G390-V394 PolarHBondContact O-N 3.28Å
391	V	79.5	Confident	74	Confident	89 Å²	89	97.3 Å²	97.3	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-42.3	178.5	177.3	0	0	0	0	110.8	V387 A393 V394 V395	V387-V391 WeakPolarHBondContact O-CG2 3.23Å; V387-V391 PolarHBondContact O-N 2.73Å; V391-A393 VanDerWaalsContact C-N 3.35Å; V391-A393 PolarHBondContact O-N 2.92Å; V391-V394 PolarHBondContact O-N 2.77Å; V391-V395 HydrophobicContact CG1-CG2 4.39Å; V391-V395 VanDerWaalsContact O-CG2 3.26Å; V391-V395 WeakPolarHBondContact O-CG2 3.49Å; V391-V395 PolarHBondContact O-N 3.01Å
392	V	81.4	Confident	76.3	Confident	85 Å²	85	90.9 Å²	90.9	52%	0.515	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-41.4	176.9	173.9	0	0	0	0	111.2	I388 G390 V394 V395 V396	I388-V392 WeakPolarHBondContact O-CG2 3.44Å; I388-V392 PolarHBondContact O-N 3.07Å; I388-V392 VanDerWaalsContact O-N 3.16Å; G390-V392 PolarHBondContact O-N 2.82Å; V392-V394 PolarHBondContact O-N 2.94Å; V392-V395 PolarHBondContact O-N 3.45Å; V392-V396 HydrophobicContact CG1-CG2 4.28Å; V392-V396 WeakPolarHBondContact O-CB 3.38Å; V392-V396 VanDerWaalsContact O-CG2 3.23Å; V392-V396 WeakPolarHBondContact O-CG2 3.38Å; V392-V396 PolarHBondContact O-N 3.2Å
393	A	83.6	Confident	78.3	Confident	61 Å²	61	91.9 Å²	91.9	50%	0.504	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-41.3	177.6	0	0	0	0	0	112.8	G389 G390 V391 V396 F397	G389-A393 WeakPolarHBondContact O-CB 3.5Å; G389-A393 PolarHBondContact O-N 2.7Å; G390-A393 PolarHBondContact O-N 3.16Å; V391-A393 VanDerWaalsContact C-N 3.35Å; V391-A393 PolarHBondContact O-N 2.92Å; A393-V396 PolarHBondContact O-N 2.7Å; A393-F397 WeakPolarHBondContact O-CB 3.32Å; A393-F397 PolarHBondContact O-N 2.8Å
394	V	89.1	Confident	80.2	Confident	102 Å²	102	92.1 Å²	92.1	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-41.5	177.5	174.1	0	0	0	0	111.3	G390 V391 V392 F397 A398	G390-V394 WeakPolarHBondContact O-CG2 3.4Å; G390-V394 PolarHBondContact O-N 3.28Å; V391-V394 PolarHBondContact O-N 2.77Å; V392-V394 PolarHBondContact O-N 2.94Å; V394-F397 PolarHBondContact O-N 2.91Å; V394-A398 WeakPolarHBondContact O-CB 3.48Å; V394-A398 PolarHBondContact O-N 2.94Å
395	V	89	Confident	81.8	Confident	79 Å²	79	91.8 Å²	91.8	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-42.7	177.7	173.1	0	0	0	0	111.2	V391 V392 A398 M399	V391-V395 HydrophobicContact CG1-CG2 4.39Å; V391-V395 VanDerWaalsContact O-CG2 3.26Å; V391-V395 WeakPolarHBondContact O-CG2 3.49Å; V391-V395 PolarHBondContact O-N 3.01Å; V392-V395 PolarHBondContact O-N 3.45Å; V395-A398 PolarHBondContact O-N 3.36Å; V395-M399 WeakPolarHBondContact O-CB 3.11Å; V395-M399 VanDerWaalsContact O-CG 3.31Å; V395-M399 WeakPolarHBondContact O-CG 3.42Å; V395-M399 PolarHBondContact O-N 2.84Å
396	V	89.6	Confident	82.9	Confident	80 Å²	80	87.1 Å²	87.1	49%	0.485	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-40.4	177.1	172.4	0	0	0	0	111.3	V392 A393 M399 L400	V392-V396 HydrophobicContact CG1-CG2 4.28Å; V392-V396 WeakPolarHBondContact O-CB 3.38Å; V392-V396 VanDerWaalsContact O-CG2 3.23Å; V392-V396 WeakPolarHBondContact O-CG2 3.38Å; V392-V396 PolarHBondContact O-N 3.2Å; A393-V396 PolarHBondContact O-N 2.7Å; V396-M399 PolarHBondContact O-N 2.89Å; V396-L400 HydrophobicContact CG1-CD1 4.24Å; V396-L400 WeakPolarHBondContact O-CG 3.4Å; V396-L400 PolarHBondContact O-N 2.79Å
397	F	93.1	Very high	84.1	Confident	145 Å²	145	85.1 Å²	85.1	64%	0.636	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-44.1	176.1	-172.9	-99	0	0	0	111.9	A393 V394 M399 L400 C401	A393-F397 WeakPolarHBondContact O-CB 3.32Å; A393-F397 PolarHBondContact O-N 2.8Å; V394-F397 PolarHBondContact O-N 2.91Å; F397-M399 PolarHBondContact O-N 2.92Å; F397-L400 PolarHBondContact O-N 3.23Å; F397-C401 PolarHBondContact O-N 3.14Å; F397-C401 PolarHBondContact O-SG 2.87Å; F397-C401 VanDerWaalsContact O-SG 3.4Å
398	A	92.6	Very high	85.2	Confident	55 Å²	55	89.7 Å²	89.7	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.1	0	0	0	0	0	111.9	V394 V395 C401 L402	V394-A398 WeakPolarHBondContact O-CB 3.48Å; V394-A398 PolarHBondContact O-N 2.94Å; V395-A398 PolarHBondContact O-N 3.36Å; A398-C401 PolarHBondContact O-N 3.2Å; A398-L402 WeakPolarHBondContact O-CB 3.44Å; A398-L402 PolarHBondContact O-N 3.21Å
399	M	92.3	Very high	86	Confident	119 Å²	119	91 Å²	91	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-42.5	175.7	-75.8	-69.4	-166.6	0	0	112.3	V395 V396 F397 L402 L403	V395-M399 WeakPolarHBondContact O-CB 3.11Å; V395-M399 VanDerWaalsContact O-CG 3.31Å; V395-M399 WeakPolarHBondContact O-CG 3.42Å; V395-M399 PolarHBondContact O-N 2.84Å; V396-M399 PolarHBondContact O-N 2.89Å; F397-M399 PolarHBondContact O-N 2.92Å; M399-L402 PolarHBondContact O-N 2.85Å; M399-L403 WeakPolarHBondContact O-CG 3.22Å; M399-L403 PolarHBondContact O-N 3.49Å
400	L	94	Very high	86.1	Confident	98 Å²	98	94.7 Å²	94.7	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-42.2	176.1	-78.8	168	0	0	0	112.2	V396 F397 L402 L403 I404	V396-L400 HydrophobicContact CG1-CD1 4.24Å; V396-L400 WeakPolarHBondContact O-CG 3.4Å; V396-L400 PolarHBondContact O-N 2.79Å; F397-L400 PolarHBondContact O-N 3.23Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.29Å; L400-L403 PolarHBondContact O-N 3.46Å; L400-I404 WeakPolarHBondContact O-CG1 3.49Å; L400-I404 PolarHBondContact O-N 3.03Å
401	C	93.1	Very high	85.8	Confident	49 Å²	49	96.1 Å²	96.1	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-60.9	-42.1	174.1	-70.8	0	0	0	0	111.7	F397 A398 I404 I405	F397-C401 PolarHBondContact O-N 3.14Å; F397-C401 PolarHBondContact O-SG 2.87Å; F397-C401 VanDerWaalsContact O-SG 3.4Å; A398-C401 PolarHBondContact O-N 3.2Å; C401-I404 PolarHBondContact O-N 2.83Å; C401-I405 VanDerWaalsContact O-CG1 3.29Å; C401-I405 WeakPolarHBondContact O-CG1 3.3Å; C401-I405 PolarHBondContact O-N 2.99Å
402	L	92.4	Very high	85.3	Confident	96 Å²	96	102.1 Å²	102.1	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-40.6	-179.9	-149	154.2	0	0	0	111.3	A398 M399 L400 I404 I405 L406	A398-L402 WeakPolarHBondContact O-CB 3.44Å; A398-L402 PolarHBondContact O-N 3.21Å; M399-L402 PolarHBondContact O-N 2.85Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.29Å; L402-I404 PolarHBondContact O-N 3.26Å; L402-I405 PolarHBondContact O-N 3.36Å; L402-L406 HydrophobicContact CD2-CD1 3.46Å; L402-L406 VanDerWaalsContact CD2-CD1 3.46Å; L402-L406 HydrophobicContact CD2-CG 3.89Å; L402-L406 WeakPolarHBondContact O-CB 3.08Å; L402-L406 WeakPolarHBondContact O-CG 3.47Å; L402-L406 PolarHBondContact O-N 3.01Å
403	L	89	Confident	84.3	Confident	115 Å²	115	102.4 Å²	102.4	60%	0.602	54%	0.535	S	S	*	.	H	α-helix	trans	-63.6	-37.8	173.8	-72.2	176.4	0	0	0	112.8	M399 L400 G407	M399-L403 WeakPolarHBondContact O-CG 3.22Å; M399-L403 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.46Å; L403-G407 PolarHBondContact O-N 2.64Å
404	I	90.9	Very high	82.8	Confident	111 Å²	111	107.4 Å²	107.4	57%	0.569	55%	0.545	S	S	*	.	H	α-helix	trans	-67.1	-42.5	175.1	-67.1	166.1	0	0	0	110.6	L400 C401 L402 G407 R408	L400-I404 WeakPolarHBondContact O-CG1 3.49Å; L400-I404 PolarHBondContact O-N 3.03Å; C401-I404 PolarHBondContact O-N 2.83Å; L402-I404 PolarHBondContact O-N 3.26Å; I404-G407 PolarHBondContact O-N 2.94Å; I404-R408 WeakPolarHBondContact O-CG 3.48Å; I404-R408 PolarHBondContact O-N 3.49Å
405	I	87.4	Confident	81.3	Confident	115 Å²	115	105.4 Å²	105.4	59%	0.59	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-47.2	177.6	-67.6	165.3	0	0	0	110.3	C401 L402 G407 R408 Y409	C401-I405 VanDerWaalsContact O-CG1 3.29Å; C401-I405 WeakPolarHBondContact O-CG1 3.3Å; C401-I405 PolarHBondContact O-N 2.99Å; L402-I405 PolarHBondContact O-N 3.36Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 PolarHBondContact O-N 2.83Å; I405-R408 PolarHBondContact O-N 2.75Å; I405-Y409 WeakPolarHBondContact O-CB 3.47Å; I405-Y409 PolarHBondContact O-N 2.84Å
406	L	81.8	Confident	79.7	Confident	71 Å²	71	106.3 Å²	106.3	37%	0.372	55%	0.551	S	S	.	*	H	α-helix	trans	-61.5	-41.5	175.4	-74.5	173.3	0	0	0	111.7	L402 R408 Y409 F410	L402-L406 HydrophobicContact CD2-CD1 3.46Å; L402-L406 VanDerWaalsContact CD2-CD1 3.46Å; L402-L406 HydrophobicContact CD2-CG 3.89Å; L402-L406 WeakPolarHBondContact O-CB 3.08Å; L402-L406 WeakPolarHBondContact O-CG 3.47Å; L402-L406 PolarHBondContact O-N 3.01Å; L406-R408 PolarHBondContact O-N 2.81Å; L406-Y409 WeakPolarHBondContact O-CB 3.22Å; L406-Y409 PolarHBondContact O-N 2.83Å; L406-F410 HydrophobicContact CB-CD2 4.42Å; L406-F410 HydrophobicContact CB-CE2 4.31Å; L406-F410 HydrophobicContact CD2-CE2 4.36Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.47Å
407	G	83.6	Confident	77.9	Confident	42 Å²	42	108.6 Å²	108.6	43%	0.433	55%	0.551	S	S	.	*	H	α-helix	trans	-60.3	-43.3	175.3	0	0	0	0	0	112.5	L403 I404 I405 A411	L403-G407 PolarHBondContact O-N 2.64Å; I404-G407 PolarHBondContact O-N 2.94Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 PolarHBondContact O-N 2.83Å; G407-A411 VanDerWaalsContact O-CB 3.3Å; G407-A411 WeakPolarHBondContact O-CB 3.16Å; G407-A411 PolarHBondContact O-N 2.99Å
408	R	82.4	Confident	75.9	Confident	195 Å²	195	109 Å²	109	74%	0.736	55%	0.553	S	S	*	*	H	α-helix	trans	-70.5	-35.4	175.3	-67.8	-171.9	91.8	172.3	7.3	112.5	I404 I405 L406 A411 R412	I404-R408 WeakPolarHBondContact O-CG 3.48Å; I404-R408 PolarHBondContact O-N 3.49Å; I405-R408 PolarHBondContact O-N 2.75Å; L406-R408 PolarHBondContact O-N 2.81Å; R408-A411 PolarHBondContact O-N 2.86Å; R408-R412 VanDerWaalsContact O-CB 3.32Å; R408-R412 WeakPolarHBondContact O-CB 3.35Å; R408-R412 PolarHBondContact O-N 3.34Å
409	Y	76.7	Confident	74	Confident	118 Å²	118	109.8 Å²	109.8	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-61.2	-55	173.9	-179.2	-95.8	0	0	0	110.2	I405 L406 A411 R412 H413	I405-Y409 WeakPolarHBondContact O-CB 3.47Å; I405-Y409 PolarHBondContact O-N 2.84Å; L406-Y409 WeakPolarHBondContact O-CB 3.22Å; L406-Y409 PolarHBondContact O-N 2.83Å; Y409-A411 VanDerWaalsContact C-N 3.3Å; Y409-A411 PolarHBondContact O-N 3.48Å; Y409-R412 WeakPolarHBondContact O-CB 3.44Å; Y409-R412 PolarHBondContact O-N 2.94Å; Y409-H413 AromaticContact CD1-CD2 3.91Å; Y409-H413 AromaticContact CD2-CD2 3.72Å; Y409-H413 AromaticContact CD2-NE2 3.71Å; Y409-H413 AromaticContact CE1-CD2 3.69Å; Y409-H413 AromaticContact CE2-CD2 3.49Å; Y409-H413 VanDerWaalsContact CE2-CD2 3.49Å; Y409-H413 WeakPolarHBondContact CE2-CD2 3.16Å; Y409-H413 AromaticContact CE2-NE2 3.11Å; Y409-H413 WeakPolarHBondContact CE2-NE2 3.39Å; Y409-H413 AromaticContact CG-CD2 3.92Å; Y409-H413 AromaticContact CZ-CD2 3.46Å; Y409-H413 VanDerWaalsContact CZ-CD2 3.46Å; Y409-H413 AromaticContact CZ-CE1 3.97Å; Y409-H413 AromaticContact CZ-NE2 3.28Å; Y409-H413 VanDerWaalsContact CZ-NE2 3.28Å; Y409-H413 PolarHBondContact O-CD2 3.23Å; Y409-H413 VanDerWaalsContact O-CD2 3.23Å; Y409-H413 PolarHBondContact O-N 3.02Å
410	F	71.9	Confident	71.9	Confident	123 Å²	123	112.5 Å²	112.5	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-33.2	178.3	-72.1	-58.2	0	0	0	113.4	L406 K414	L406-F410 HydrophobicContact CB-CD2 4.42Å; L406-F410 HydrophobicContact CB-CE2 4.31Å; L406-F410 HydrophobicContact CD2-CE2 4.36Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.47Å; F410-K414 WeakPolarHBondContact O-CG 3.46Å; F410-K414 PolarHBondContact O-N 3.35Å
411	A	69.1	Low	70	Confident	70 Å²	70	115.8 Å²	115.8	58%	0.579	58%	0.576	S	S	*	*	H	α-helix	trans	-67.5	-36.2	172.8	0	0	0	0	0	112.3	G407 R408 Y409 K414	G407-A411 VanDerWaalsContact O-CB 3.3Å; G407-A411 WeakPolarHBondContact O-CB 3.16Å; G407-A411 PolarHBondContact O-N 2.99Å; R408-A411 PolarHBondContact O-N 2.86Å; Y409-A411 VanDerWaalsContact C-N 3.3Å; Y409-A411 PolarHBondContact O-N 3.48Å; A411-K414 PolarHBondContact O-N 3Å
412	R	68.1	Low	68	Low	216 Å²	216	118.3 Å²	118.3	82%	0.815	60%	0.601	S	S	*	*	H	α-helix	trans	-72.4	-32.7	177	-170.7	177.8	-178.8	90	-0.2	112.5	R408 Y409 K414	R408-R412 VanDerWaalsContact O-CB 3.32Å; R408-R412 WeakPolarHBondContact O-CB 3.35Å; R408-R412 PolarHBondContact O-N 3.34Å; Y409-R412 WeakPolarHBondContact O-CB 3.44Å; Y409-R412 PolarHBondContact O-N 2.94Å; R412-K414 VanDerWaalsContact C-N 3.28Å; R412-K414 PolarHBondContact O-N 2.87Å
413	H	61.2	Low	66.1	Low	91 Å²	91	123 Å²	123	42%	0.421	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	1.3	176.7	-76.6	-87.6	0	0	0	114	Y409	Y409-H413 AromaticContact CD1-CD2 3.91Å; Y409-H413 AromaticContact CD2-CD2 3.72Å; Y409-H413 AromaticContact CD2-NE2 3.71Å; Y409-H413 AromaticContact CE1-CD2 3.69Å; Y409-H413 AromaticContact CE2-CD2 3.49Å; Y409-H413 VanDerWaalsContact CE2-CD2 3.49Å; Y409-H413 WeakPolarHBondContact CE2-CD2 3.16Å; Y409-H413 AromaticContact CE2-NE2 3.11Å; Y409-H413 WeakPolarHBondContact CE2-NE2 3.39Å; Y409-H413 AromaticContact CG-CD2 3.92Å; Y409-H413 AromaticContact CZ-CD2 3.46Å; Y409-H413 VanDerWaalsContact CZ-CD2 3.46Å; Y409-H413 AromaticContact CZ-CE1 3.97Å; Y409-H413 AromaticContact CZ-NE2 3.28Å; Y409-H413 VanDerWaalsContact CZ-NE2 3.28Å; Y409-H413 PolarHBondContact O-CD2 3.23Å; Y409-H413 VanDerWaalsContact O-CD2 3.23Å; Y409-H413 PolarHBondContact O-N 3.02Å
414	K	52.6	Low	64.5	Low	166 Å²	166	120 Å²	120	72%	0.722	61%	0.613	S	S	*	*			trans	-101.7	58.6	171.1	-78.9	-177.5	175.4	175.6	0	111.9	F410 A411 R412	F410-K414 WeakPolarHBondContact O-CG 3.46Å; F410-K414 PolarHBondContact O-N 3.35Å; A411-K414 PolarHBondContact O-N 3Å; R412-K414 VanDerWaalsContact C-N 3.28Å; R412-K414 PolarHBondContact O-N 2.87Å
415	G	56.8	Low	62.9	Low	60 Å²	60	117 Å²	117	62%	0.619	61%	0.605	S	S	*	*			trans	-91.2	119.3	165.8	0	0	0	0	0	110.2
416	T	55.1	Low	61.4	Low	97 Å²	97	118.4 Å²	118.4	60%	0.595	61%	0.614	S	S	*	*			trans	-80.6	125	165	43.2	0	0	0	0	108.3
417	Y	52.4	Low	60.2	Low	128 Å²	128	123.1 Å²	123.1	50%	0.502	64%	0.639	S	S	.	*			trans	-115.2	138.2	171.1	64.5	-83.8	0	0	0	109.3	T419 F452	Y417-T419 HydrophobicContact CD2-CG2 3.63Å; Y417-T419 HydrophobicContact CE2-CG2 3.4Å; Y417-T419 VanDerWaalsContact CE2-CG2 3.4Å; Y417-F452 HydrophobicContact CE1-CE2 4.39Å
418	F	50.7	Low	58.9	Low	155 Å²	155	122.5 Å²	122.5	68%	0.68	63%	0.631	S	S	*	*			trans	-87.2	118.1	175.6	-73.1	-89.1	0	0	0	108.5
419	T	52.1	Low	58.1	Low	71 Å²	71	118.4 Å²	118.4	44%	0.436	64%	0.638	S	S	.	*			trans	-93.1	126.2	167.5	55.5	0	0	0	0	108.9	Y417 E421	Y417-T419 HydrophobicContact CD2-CG2 3.63Å; Y417-T419 HydrophobicContact CE2-CG2 3.4Å; Y417-T419 VanDerWaalsContact CE2-CG2 3.4Å; T419-E421 VanDerWaalsContact C-N 3.28Å; T419-E421 PolarHBondContact O-N 2.91Å
420	H	48.4	Very low	57.5	Low	176 Å²	176	116.9 Å²	116.9	82%	0.815	64%	0.638	S	S	*	*			trans	-87	74.2	166.8	-89.6	-96.9	0	0	0	107.9
421	E	54.3	Low	57	Low	167 Å²	167	114.8 Å²	114.8	78%	0.78	64%	0.643	S	S	*	*			trans	-89	115.6	168.4	-74.3	-175.5	172	0	0	108.7	T419 K423	T419-E421 VanDerWaalsContact C-N 3.28Å; T419-E421 PolarHBondContact O-N 2.91Å; E421-K423 PolarHBondContact O-N 3.02Å
422	A	52.1	Low	56.9	Low	102 Å²	102	117.1 Å²	117.1	84%	0.843	65%	0.646	S	S	*	*			trans	-68	121.3	169.5	0	0	0	0	0	108	G424	A422-G424 PolarHBondContact O-N 3.36Å
423	K	51.8	Low	56.6	Low	195 Å²	195	109.7 Å²	109.7	85%	0.848	63%	0.625	S	S	*	*			trans	-65.4	104.1	174.9	-158.4	173.4	-173.9	170.8	0	108.2	E421	E421-K423 PolarHBondContact O-N 3.02Å
424	G	55.9	Low	56.6	Low	51 Å²	51	106.9 Å²	106.9	53%	0.526	62%	0.617	S	S	.	*			trans	-60.6	140.8	166.7	0	0	0	0	0	109.4	A422 D426	A422-G424 PolarHBondContact O-N 3.36Å; G424-D426 PolarHBondContact O-N 3.41Å
425	A	56.9	Low	56.8	Low	48 Å²	48	104.8 Å²	104.8	40%	0.397	61%	0.613	S	S	.	*			trans	-70.1	90.1	-175.7	0	0	0	0	0	111.1	D427 A428	A425-D427 PolarHBondContact O-N 3.43Å; A425-D427 VanDerWaalsContact O-N 3.09Å; A425-A428 HydrophobicContact CB-CB 4.5Å; A425-A428 PolarHBondContact O-N 3.29Å
426	D	54.8	Low	56.9	Low	145 Å²	145	108 Å²	108	78%	0.775	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-6.9	178.6	-69.3	-31.1	0	0	0	114	G424	G424-D426 PolarHBondContact O-N 3.41Å
427	D	57.1	Low	56.9	Low	169 Å²	169	108.3 Å²	108.3	90%	0.904	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	13.9	-179.5	-65.7	-34.7	0	0	0	114.1	A425	A425-D427 PolarHBondContact O-N 3.43Å; A425-D427 VanDerWaalsContact O-N 3.09Å
428	A	57	Low	57	Low	30 Å²	30	106.1 Å²	106.1	25%	0.248	62%	0.621	C	S	.	*			trans	-82.6	125.1	176.9	0	0	0	0	0	111.6	A425 D430 A434	A425-A428 HydrophobicContact CB-CB 4.5Å; A425-A428 PolarHBondContact O-N 3.29Å; A428-D430 PolarHBondContact O-N 3.35Å; A428-A434 HydrophobicContact CB-CB 3.74Å
429	A	64.8	Low	57	Low	108 Å²	108	107.5 Å²	107.5	89%	0.893	63%	0.629	S	S	*	*	S	Bend	trans	-69.3	-17.3	-178.9	0	0	0	0	0	113.9
430	D	64.4	Low	56.9	Low	87 Å²	87	107 Å²	107	47%	0.465	64%	0.639	S	S	.	*	S	Bend	trans	-151.7	164.2	176.8	60.8	12	0	0	0	112.2	A428 D432 T433 A434	A428-D430 PolarHBondContact O-N 3.35Å; D430-D432 VanDerWaalsContact C-N 3.29Å; D430-D432 PolarHBondContact O-N 3.01Å; D430-T433 PolarHBondContact O-N 3.09Å; D430-T433 WeakPolarHBondContact OD1-CB 3.5Å; D430-T433 PolarHBondContact OD1-N 3.34Å; D430-T433 PolarHBondContact OD1-OG1 3.26Å; D430-A434 PolarHBondContact O-N 2.92Å
431	A	61.6	Low	57.1	Low	78 Å²	78	102.3 Å²	102.3	65%	0.645	64%	0.638	S	S	*	*	H	α-helix	trans	-66.6	-27.9	-174.7	0	0	0	0	0	113.5
432	D	66.8	Low	56.8	Low	120 Å²	120	102.3 Å²	102.3	64%	0.642	64%	0.638	S	S	*	*	H	α-helix	trans	-76.8	-32.6	-179.4	-73.4	-18.3	0	0	0	111.7	D430	D430-D432 VanDerWaalsContact C-N 3.29Å; D430-D432 PolarHBondContact O-N 3.01Å
433	T	62.4	Low	56.7	Low	60 Å²	60	104.8 Å²	104.8	37%	0.368	64%	0.637	S	S	.	*	H	α-helix	trans	-72.5	-30	175.4	-56.2	0	0	0	0	112.3	D430 I435 I436 N437	D430-T433 PolarHBondContact O-N 3.09Å; D430-T433 WeakPolarHBondContact OD1-CB 3.5Å; D430-T433 PolarHBondContact OD1-N 3.34Å; D430-T433 PolarHBondContact OD1-OG1 3.26Å; T433-I435 VanDerWaalsContact C-N 3.29Å; T433-I435 PolarHBondContact O-N 3.33Å; T433-I436 PolarHBondContact O-N 2.55Å; T433-N437 PolarHBondContact O-N 3.06Å
434	A	60.3	Low	56.6	Low	32 Å²	32	102 Å²	102	26%	0.264	63%	0.631	S	S	.	*	H	α-helix	trans	-64.5	-33.6	177.5	0	0	0	0	0	112.6	A428 D430	A428-A434 HydrophobicContact CB-CB 3.74Å; D430-A434 PolarHBondContact O-N 2.92Å
435	I	57.5	Low	56.3	Low	121 Å²	121	103.7 Å²	103.7	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-74.2	-37.9	-177.7	-65.5	170.1	0	0	0	111.3	T433 A438	T433-I435 VanDerWaalsContact C-N 3.29Å; T433-I435 PolarHBondContact O-N 3.33Å; I435-A438 PolarHBondContact O-N 3.44Å
436	I	58.7	Low	56.1	Low	127 Å²	127	109.6 Å²	109.6	65%	0.651	65%	0.654	S	S	*	*	H	α-helix	trans	-72.6	-33	-177.2	-56.5	169.7	0	0	0	111.3	T433 A438	T433-I436 PolarHBondContact O-N 2.55Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.4Å
437	N	54.8	Low	55.8	Low	105 Å²	105	108.9 Å²	108.9	56%	0.561	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-77.8	-10.8	179.9	-70.3	-20.7	0	0	0	113.8	T433 E439	T433-N437 PolarHBondContact O-N 3.06Å; N437-E439 VanDerWaalsContact C-N 3.33Å; N437-E439 PolarHBondContact O-N 3.5Å
438	A	54.2	Low	55.4	Low	82 Å²	82	108.3 Å²	108.3	68%	0.678	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-76.5	-14.7	-178.2	0	0	0	0	0	114.1	I435 I436	I435-A438 PolarHBondContact O-N 3.44Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.4Å
439	E	51.3	Low	55	Low	184 Å²	184	113.3 Å²	113.3	86%	0.86	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-88.1	1.9	-177.6	-84	-177.3	150.6	0	0	114.8	N437 G441	N437-E439 VanDerWaalsContact C-N 3.33Å; N437-E439 PolarHBondContact O-N 3.5Å; E439-G441 PolarHBondContact O-N 3.41Å
440	G	49.8	Very low	54.4	Low	61 Å²	61	113.5 Å²	113.5	63%	0.629	63%	0.634	S	S	*	*	S	Bend	trans	-90.8	90.5	175.2	0	0	0	0	0	112.6	Q442	G440-Q442 PolarHBondContact O-N 3.46Å
441	G	51.8	Low	53.7	Low	77 Å²	77	118 Å²	118	79%	0.794	65%	0.646	S	S	*	*			trans	-55.4	115.4	179.5	0	0	0	0	0	114.5	E439	E439-G441 PolarHBondContact O-N 3.41Å
442	Q	49.3	Very low	52.9	Low	167 Å²	167	122.1 Å²	122.1	78%	0.78	65%	0.649	S	S	*	*			trans	-137.7	106.9	158.5	-109.2	161.6	-29.1	0	0	109	G440 N444	G440-Q442 PolarHBondContact O-N 3.46Å; Q442-N444 VanDerWaalsContact C-N 3.32Å; Q442-N444 PolarHBondContact O-N 3.42Å
443	N	50.4	Low	51.9	Low	154 Å²	154	127.4 Å²	127.4	82%	0.824	68%	0.675	S	S	*	*			trans	-69.5	84.7	175.1	-73.5	-14	0	0	0	110
444	N	48.7	Very low	51.3	Low	137 Å²	137	130.8 Å²	130.8	73%	0.733	69%	0.691	S	S	*	*			trans	-98.8	88	167.6	-73.4	-17.6	0	0	0	108.7	Q442 E446	Q442-N444 VanDerWaalsContact C-N 3.32Å; Q442-N444 PolarHBondContact O-N 3.42Å; N444-E446 PolarHBondContact O-N 2.93Å
445	S	49.3	Very low	50.9	Low	86 Å²	86	135.9 Å²	135.9	60%	0.601	71%	0.713	S	S	*	*			trans	-80.4	104	169.3	55.7	0	0	0	0	109.2
446	E	52.3	Low	50.5	Low	171 Å²	171	136.8 Å²	136.8	80%	0.799	72%	0.718	S	S	*	*			trans	-87	133.7	169.4	-81.5	-172.5	159.9	0	0	111	N444 K448	N444-E446 PolarHBondContact O-N 2.93Å; E446-K448 PolarHBondContact O-N 3.4Å
447	E	49.2	Very low	50	Low	130 Å²	130	137.4 Å²	137.4	61%	0.607	72%	0.722	S	S	*	*			trans	-83.5	99.3	179.1	-167.3	-170.6	171.6	0	0	109.6	K449	E447-K449 WeakPolarHBondContact OE1-CE 3.45Å; E447-K449 IonicContact OE1-NZ 3.95Å
448	K	49.6	Very low	49.7	Very low	157 Å²	157	139.4 Å²	139.4	68%	0.683	73%	0.732	S	S	*	*			trans	-97.7	122	176.1	-144.8	-177.6	179.7	-150.6	0	110.5	E446 E450	E446-K448 PolarHBondContact O-N 3.4Å; K448-E450 WeakPolarHBondContact CE-OE1 3.06Å; K448-E450 IonicContact NZ-OE1 3.93Å; K448-E450 PolarHBondContact NZ-OE1 3.4Å
449	K	47.6	Very low	49.4	Very low	135 Å²	135	143.2 Å²	143.2	59%	0.587	74%	0.736	S	S	*	*			trans	-96.4	103.8	177.1	-72.8	174.8	-178.3	162.7	0	109.2	E447	E447-K449 WeakPolarHBondContact OE1-CE 3.45Å; E447-K449 IonicContact OE1-NZ 3.95Å
450	E	53.3	Low	49.3	Very low	113 Å²	113	140.3 Å²	140.3	53%	0.528	73%	0.727	S	S	.	*			trans	-107.2	131.5	171	-65.3	-171.5	180	0	0	109.7	K448	K448-E450 WeakPolarHBondContact CE-OE1 3.06Å; K448-E450 IonicContact NZ-OE1 3.93Å; K448-E450 PolarHBondContact NZ-OE1 3.4Å
451	Y	49.3	Very low	49.3	Very low	182 Å²	182	146.4 Å²	146.4	71%	0.714	74%	0.735	S	S	*	*			trans	-90.2	120.6	178.4	-61	-89.7	0	0	0	107.6	I453	Y451-I453 PolarHBondContact O-N 3.17Å
452	F	43.5	Very low	49	Very low	163 Å²	163	152.2 Å²	152.2	72%	0.715	73%	0.73	S	S	*	*			trans	-63.6	117.4	166.9	-83	-88.6	0	0	0	108.1	Y417	Y417-F452 HydrophobicContact CE1-CE2 4.39Å
453	I	46.1	Very low	49	Very low	231 Å²	231	150.8 Å²	150.8	100%	1.185	73%	0.725	S	S	*	*			trans	-77.1	0	170.6	-55.8	176.1	0	0	0	108.5	Y451	Y451-I453 PolarHBondContact O-N 3.17Å

Retrieved 453 of 453 residues in 73.3 ms (Link to these results)

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