A0A077ZM07_TRITR Loading...

HSP70 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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	44	Very low	44.1	Very low	240 Å²	240	146.4 Å²	146.4	100%	1.182	87%	0.865	S	S	*	*				0	117	0	-80.8	171.5	155.2	0	0	108.3
2	R	42.1	Very low	43.8	Very low	248 Å²	248	150.3 Å²	150.3	94%	0.936	86%	0.864	S	S	*	*			trans	41.1	113.8	159.5	-53.2	-178.5	-169.7	-171.6	2.9	117.2
3	G	40.1	Very low	43.6	Very low	72 Å²	72	145.1 Å²	145.1	74%	0.742	86%	0.863	S	S	*	*				74.5	121.7	62.4	0	0	0	0	0	108.7
4	V	53.3	Low	43.3	Very low	142 Å²	142	150.9 Å²	150.9	86%	0.861	86%	0.862	S	S	*	*				-173.5	119.1	83.1	-177.9	0	0	0	0	106.9
5	N	43.5	Very low	42.9	Very low	169 Å²	169	153.1 Å²	153.1	90%	0.904	87%	0.866	S	S	*	*				52.7	128.2	91.4	-88.8	-9.4	0	0	0	118.1
6	G	45.1	Very low	43.1	Very low	81 Å²	81	149.1 Å²	149.1	84%	0.835	86%	0.857	S	S	*	*			trans	-172.1	87	170.5	0	0	0	0	0	112.1
7	A	47.3	Very low	42.7	Very low	91 Å²	91	155.5 Å²	155.5	75%	0.752	86%	0.864	S	S	*	*			trans	-70.9	160.4	174.9	0	0	0	0	0	112.6
8	L	41.3	Very low	42.5	Very low	162 Å²	162	151.3 Å²	151.3	85%	0.848	86%	0.862	S	S	*	*			trans	-166.6	122.2	139.3	-119.4	102.2	0	0	0	113.4
9	L	41.7	Very low	42.4	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	86%	0.86	S	S	*	*			trans	62.7	105.8	149.9	-84.3	99.2	0	0	0	124.1
10	T	41.3	Very low	42.3	Very low	125 Å²	125	149.6 Å²	149.6	77%	0.767	86%	0.861	S	S	*	*			trans	-60.7	147.7	142.3	42.8	0	0	0	0	114.5
11	S	45.6	Very low	41.9	Very low	128 Å²	128	151.2 Å²	151.2	90%	0.895	86%	0.858	S	S	*	*			trans	-127.5	130.9	148.2	89.2	0	0	0	0	109.9
12	F	40.2	Very low	41.8	Very low	193 Å²	193	147.5 Å²	147.5	85%	0.846	84%	0.838	S	S	*	*			trans	-122.7	131.9	-174.3	-138.9	-90.3	0	0	0	106.4
13	G	40.8	Very low	41.4	Very low	83 Å²	83	144 Å²	144	86%	0.856	83%	0.832	S	S	*	*			trans	-141.9	101.4	178.4	0	0	0	0	0	111.8
14	R	39.7	Very low	41.5	Very low	226 Å²	226	149 Å²	149	85%	0.853	83%	0.834	S	S	*	*			trans	-80.2	150	171.5	-88.9	174.8	166.1	-153.8	-1.3	111.5
15	M	37.8	Very low	40.7	Very low	185 Å²	185	148.9 Å²	148.9	91%	0.911	83%	0.834	S	S	*	*				178	113.3	129.8	-102.1	176.1	-171.9	0	0	109.7
16	A	45.4	Very low	40.3	Very low	89 Å²	89	145.5 Å²	145.5	74%	0.736	82%	0.822	S	S	*	*				76.6	99.6	91.6	0	0	0	0	0	113.2
17	R	36.4	Very low	40.2	Very low	257 Å²	257	151.7 Å²	151.7	97%	0.97	83%	0.826	S	S	*	*				49.8	115.8	100.7	-75.2	-167.6	-175.3	-143.2	1.7	115.2
18	G	38.9	Very low	40.1	Very low	80 Å²	80	153.8 Å²	153.8	83%	0.825	82%	0.824	S	S	*	*			trans	171.6	112.4	162.7	0	0	0	0	0	112.5
19	A	40.2	Very low	40.3	Very low	99 Å²	99	150.9 Å²	150.9	82%	0.818	82%	0.815	S	S	*	*			trans	-69.8	142.8	178.3	0	0	0	0	0	112.2
20	L	41	Very low	40.8	Very low	169 Å²	169	151.6 Å²	151.6	89%	0.885	82%	0.818	S	S	*	*			trans	-156.4	129.8	139.3	-139.4	75.9	0	0	0	111.6
21	F	34.6	Very low	40.6	Very low	184 Å²	184	151.1 Å²	151.1	81%	0.807	81%	0.811	S	S	*	*			trans	-66.8	121.9	176.2	-150.8	-102.1	0	0	0	109.5
22	Q	42.4	Very low	40.1	Very low	163 Å²	163	150 Å²	150	76%	0.762	80%	0.802	S	S	*	*			trans	-153.9	112	157.4	-122.4	162.6	-2.4	0	0	110.5	F24	Q22-F24 PolarHBondContact O-N 3.26Å; Q22-F24 VanDerWaalsContact O-N 3.17Å
23	Q	33.2	Very low	39.8	Very low	173 Å²	173	151.5 Å²	151.5	81%	0.808	80%	0.802	S	S	*	*			trans	-53.4	113.2	167.7	-79.9	158.4	-45.4	0	0	109.5
24	F	41.7	Very low	39.7	Very low	179 Å²	179	158.2 Å²	158.2	79%	0.785	80%	0.801	S	S	*	*			trans	-118.4	107.4	159.7	-99.1	-87.3	0	0	0	108.8	Q22 C26	Q22-F24 PolarHBondContact O-N 3.26Å; Q22-F24 VanDerWaalsContact O-N 3.17Å; F24-C26 PolarHBondContact O-N 3.08Å
25	T	36.5	Very low	39.9	Very low	138 Å²	138	157 Å²	157	85%	0.847	80%	0.803	S	S	*	*			trans	-61	91.2	167.2	40.5	0	0	0	0	109.4	K27	T25-K27 PolarHBondContact O-N 3.32Å
26	C	34.5	Very low	40.2	Very low	98 Å²	98	157.3 Å²	157.3	66%	0.662	80%	0.799	S	S	*	*			trans	-98.6	90	174.4	-138.7	0	0	0	0	110.6	F24 L28	F24-C26 PolarHBondContact O-N 3.08Å; C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 HydrophobicContact CB-CD1 4.43Å; C26-L28 PolarHBondContact O-N 3.17Å; C26-L28 VanDerWaalsContact O-N 3.09Å; C26-L28 WeakPolarHBondContact SG-CD1 3.47Å; C26-L28 VanDerWaalsContact SG-CG 3.55Å
27	K	43.7	Very low	40.6	Very low	211 Å²	211	157.8 Å²	157.8	92%	0.917	80%	0.797	S	S	*	*			trans	-69	86.9	155.5	-77.6	178.4	174.3	178.5	0	107.5	T25	T25-K27 PolarHBondContact O-N 3.32Å
28	L	46	Very low	41.7	Very low	135 Å²	135	154.2 Å²	154.2	71%	0.707	79%	0.791	S	S	*	*			trans	-106.4	125.8	168.4	-85.8	163.5	0	0	0	109	C26	C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 HydrophobicContact CB-CD1 4.43Å; C26-L28 PolarHBondContact O-N 3.17Å; C26-L28 VanDerWaalsContact O-N 3.09Å; C26-L28 WeakPolarHBondContact SG-CD1 3.47Å; C26-L28 VanDerWaalsContact SG-CG 3.55Å
29	P	45	Very low	42.9	Very low	102 Å²	102	154.3 Å²	154.3	66%	0.662	78%	0.784	S	S	*	*			trans	-64.7	138.7	169	29.6	-30.5	0	0	0	107.7	N31	P29-N31 PolarHBondContact O-N 3.15Å
30	I	51.3	Low	44.5	Very low	166 Å²	166	153.1 Å²	153.1	85%	0.851	77%	0.766	S	S	*	*			trans	-60.8	91.6	171.5	-62.5	161.1	0	0	0	106.6	C32	I30-C32 PolarHBondContact O-N 3.1Å
31	N	37.8	Very low	46.2	Very low	116 Å²	116	155.8 Å²	155.8	62%	0.62	77%	0.765	S	S	*	*			trans	-71.8	85	168.1	-122.7	15.2	0	0	0	105.8	P29 W33	P29-N31 PolarHBondContact O-N 3.15Å; N31-W33 VanDerWaalsContact O-CD1 3.26Å; N31-W33 PolarHBondContact O-N 2.89Å
32	C	34.5	Very low	48.5	Very low	105 Å²	105	150.1 Å²	150.1	71%	0.709	76%	0.758	S	S	*	*			trans	-63.8	92.3	162.1	-176.9	0	0	0	0	106	I30 R34	I30-C32 PolarHBondContact O-N 3.1Å; C32-R34 PolarHBondContact O-N 3.49Å
33	W	34.2	Very low	50.6	Low	224 Å²	224	144.3 Å²	144.3	85%	0.848	74%	0.738	S	S	*	*			trans	-62.5	84.8	168.5	-74.1	88.6	0	0	0	107.5	N31 F35	N31-W33 VanDerWaalsContact O-CD1 3.26Å; N31-W33 PolarHBondContact O-N 2.89Å; W33-F35 VanDerWaalsContact C-N 3.27Å; W33-F35 PolarHBondContact O-N 2.92Å
34	R	39.1	Very low	53.5	Low	224 Å²	224	138.5 Å²	138.5	85%	0.845	71%	0.714	S	S	*	*			trans	-66.2	97.2	165.3	-156.8	166.7	102.7	153.9	4.6	105.1	C32 K36	C32-R34 PolarHBondContact O-N 3.49Å; R34-K36 VanDerWaalsContact C-N 3.29Å; R34-K36 PolarHBondContact O-N 3.22Å
35	F	44.2	Very low	56.2	Low	200 Å²	200	130 Å²	130	88%	0.877	68%	0.677	S	S	*	*			trans	-51.4	98.9	171.2	-142.8	-92.6	0	0	0	106.2	W33 S37	W33-F35 VanDerWaalsContact C-N 3.27Å; W33-F35 PolarHBondContact O-N 2.92Å; F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 3.22Å
36	K	43.1	Very low	59.1	Low	191 Å²	191	125 Å²	125	83%	0.83	65%	0.652	S	S	*	*			trans	-62.1	106.5	170.4	-92.9	179.8	172.5	176.6	0	104	R34 E38	R34-K36 VanDerWaalsContact C-N 3.29Å; R34-K36 PolarHBondContact O-N 3.22Å; K36-E38 PolarHBondContact O-N 3.18Å; K36-E38 VanDerWaalsContact O-N 3.16Å
37	S	54.6	Low	62.1	Low	99 Å²	99	120.3 Å²	120.3	69%	0.692	62%	0.621	S	S	*	*			trans	-42.6	125	163.8	52.9	0	0	0	0	107.2	F35 A39	F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 3.22Å; S37-A39 PolarHBondContact O-N 3.01Å
38	E	58.6	Low	64.6	Low	183 Å²	183	113.3 Å²	113.3	86%	0.855	59%	0.593	S	S	*	*			trans	-44.3	123.1	170.6	-75.7	-179.3	143.7	0	0	107.5	K36 V40	K36-E38 PolarHBondContact O-N 3.18Å; K36-E38 VanDerWaalsContact O-N 3.16Å; E38-V40 PolarHBondContact O-N 2.66Å
39	A	65	Low	66.9	Low	82 Å²	82	107.3 Å²	107.3	68%	0.678	56%	0.562	S	S	*	*			trans	-58	109.9	-175.4	0	0	0	0	0	107.2	S37 R41	S37-A39 PolarHBondContact O-N 3.01Å; A39-R41 WeakPolarHBondContact O-CG 3.24Å; A39-R41 PolarHBondContact O-N 2.99Å
40	V	73.9	Confident	69.2	Low	73 Å²	73	103 Å²	103	44%	0.442	54%	0.536	S	S	.	.			trans	-57.2	112.8	178.3	175.7	0	0	0	0	106.7	E38 V44 N177 L206	E38-V40 PolarHBondContact O-N 2.66Å; V40-V44 HydrophobicContact CG1-CG2 3.7Å; V40-N177 HydrophobicContact CG1-CB 4.28Å; V40-N177 WeakPolarHBondContact CG1-ND2 3.49Å; V40-L206 HydrophobicContact CB-CD1 4.45Å; V40-L206 HydrophobicContact CG1-CD1 3.71Å; V40-L206 HydrophobicContact CG2-CD1 3.93Å; V40-L206 HydrophobicContact CG2-CD2 4.05Å
41	R	77.2	Confident	71.3	Confident	226 Å²	226	97.1 Å²	97.1	85%	0.853	51%	0.508	S	S	*	.			trans	-91.2	136.4	176.9	-66	-174.3	179	176.7	-0.8	109.2	A39 N177	A39-R41 WeakPolarHBondContact O-CG 3.24Å; A39-R41 PolarHBondContact O-N 2.99Å; R41-N177 PolarHBondContact O-ND2 3.35Å
42	G	82.2	Confident	74	Confident	64 Å²	64	96.2 Å²	96.2	66%	0.66	51%	0.506	S	S	*	.	S	Bend	trans	92.3	169	179	0	0	0	0	0	113.9
43	A	87.2	Confident	77	Confident	41 Å²	41	94.2 Å²	94.2	34%	0.339	49%	0.489	S	S	.	.			trans	-62.4	141.9	179	0	0	0	0	0	111.3	L171	A43-L171 HydrophobicContact CB-CD1 3.66Å
44	V	94.2	Very high	80	Confident	52 Å²	52	83.6 Å²	83.6	32%	0.315	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.4	171.7	-176.7	0	0	0	0	107.6	V40 N177 V179 L206	V40-V44 HydrophobicContact CG1-CG2 3.7Å; V44-N177 WeakPolarHBondContact CA-O 3.5Å; V44-N177 HydrophobicContact CB-CB 4.47Å; V44-N177 HydrophobicContact CG1-CB 4.48Å; V44-N177 HydrophobicContact CG2-CB 3.94Å; V44-V179 HydrophobicContact CG1-CG2 3.98Å; V44-L206 HydrophobicContact CG1-CD1 3.91Å; V44-L206 HydrophobicContact CG2-CD1 3.74Å
45	I	96.7	Very high	82.8	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.8	176.8	60	170.3	0	0	0	110.6	I47 V56 V58 A167 V175 N177 A178 V179 L203	I45-I47 HydrophobicContact CD1-CD1 3.65Å; I45-I47 HydrophobicContact CD1-CG1 3.89Å; I45-I47 HydrophobicContact CG1-CD1 4.24Å; I45-I47 HydrophobicContact CG1-CG1 4.18Å; I45-V56 HydrophobicContact CB-CG2 4.17Å; I45-V56 HydrophobicContact CD1-CG2 4.21Å; I45-V58 HydrophobicContact CG2-CG1 3.78Å; I45-A167 HydrophobicContact CD1-CB 4.22Å; I45-A167 HydrophobicContact CG2-CB 3.62Å; I45-V175 HydrophobicContact CB-CG1 4.31Å; I45-V175 HydrophobicContact CD1-CG1 3.74Å; I45-V175 HydrophobicContact CG1-CG1 3.74Å; I45-V175 HydrophobicContact CG2-CG1 3.65Å; I45-V175 HydrophobicContact CG2-CG2 4.21Å; I45-N177 PolarHBondContact N-O 2.81Å; I45-N177 VanDerWaalsContact N-O 3.1Å; I45-A178 HydrophobicContact CD1-CB 4.44Å; I45-A178 HydrophobicContact CG1-CB 3.82Å; I45-A178 CarbonylContact O-C 3.57Å; I45-A178 VanDerWaalsContact O-CA 3.28Å; I45-A178 WeakPolarHBondContact O-CA 3.32Å; I45-V179 PolarHBondContact O-N 3.3Å; I45-L203 HydrophobicContact CD1-CD2 4.26Å
46	G	97.1	Very high	85.3	Confident	31 Å²	31	64.9 Å²	64.9	32%	0.32	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122	168.3	0	0	0	0	0	109.4	V56 A57	G46-V56 CarbonylContact O-C 3.41Å; G46-V56 WeakPolarHBondContact O-CA 3.39Å; G46-A57 PolarHBondContact N-O 3.18Å; G46-A57 PolarHBondContact O-N 3.05Å
47	I	97.8	Very high	87.9	Confident	1 Å²	1	57 Å²	57	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.8	178	-56.2	170.3	0	0	0	109.3	I45 L49 C55 V56 L160 M163 A178 V179 I180 T181 L203	I45-I47 HydrophobicContact CD1-CD1 3.65Å; I45-I47 HydrophobicContact CD1-CG1 3.89Å; I45-I47 HydrophobicContact CG1-CD1 4.24Å; I45-I47 HydrophobicContact CG1-CG1 4.18Å; I47-L49 PolarHBondContact O-N 3.41Å; I47-C55 WeakPolarHBondContact CA-O 3.13Å; I47-V56 HydrophobicContact CG1-CG2 4.06Å; I47-L160 HydrophobicContact CB-CD2 4.36Å; I47-L160 HydrophobicContact CD1-CD2 3.86Å; I47-L160 HydrophobicContact CG2-CD2 3.7Å; I47-M163 HydrophobicContact CD1-CB 4.09Å; I47-M163 HydrophobicContact CG1-CB 4.3Å; I47-M163 HydrophobicContact CG2-CB 4.24Å; I47-M163 HydrophobicContact CG2-CG 3.92Å; I47-A178 HydrophobicContact CD1-CB 4.25Å; I47-V179 PolarHBondContact N-O 3.04Å; I47-I180 WeakPolarHBondContact O-CA 3.38Å; I47-T181 PolarHBondContact O-N 2.95Å; I47-L203 HydrophobicContact CD1-CD1 3.73Å
48	D	96.9	Very high	89.8	Confident	64 Å²	64	52.6 Å²	52.6	34%	0.342	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	103.7	162.2	-177.4	29.1	0	0	0	109.4	G50 S54 C55 T181	D48-G50 PolarHBondContact O-N 3.44Å; D48-S54 CarbonylContact O-C 3.6Å; D48-S54 WeakPolarHBondContact O-CA 3.27Å; D48-S54 VanDerWaalsContact O-CB 3.27Å; D48-S54 WeakPolarHBondContact O-CB 3.31Å; D48-C55 HydrophobicContact CB-CB 4.17Å; D48-C55 PolarHBondContact N-O 2.66Å; D48-C55 PolarHBondContact O-N 3.3Å; D48-T181 VanDerWaalsContact CA-OG1 3.28Å; D48-T181 WeakPolarHBondContact CA-OG1 3.2Å; D48-T181 HydrophobicContact CB-CG2 4.33Å; D48-T181 PolarHBondContact OD1-OG1 2.86Å
49	L	94.6	Very high	91.3	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	78.6	178.5	179.7	64.1	0	0	0	108.7	I47 K110 V159 L160 I180 T181 T194	I47-L49 PolarHBondContact O-N 3.41Å; L49-K110 WeakPolarHBondContact O-CD 3.45Å; L49-K110 WeakPolarHBondContact O-CE 3.32Å; L49-K110 PolarHBondContact O-NZ 3.21Å; L49-V159 HydrophobicContact CD1-CB 4.21Å; L49-V159 HydrophobicContact CD1-CG1 3.97Å; L49-L160 HydrophobicContact CB-CD2 4.35Å; L49-L160 HydrophobicContact CD1-CD2 4.07Å; L49-L160 HydrophobicContact CD1-CG 4.26Å; L49-L160 HydrophobicContact CD2-CD1 4.35Å; L49-L160 HydrophobicContact CD2-CD2 4.27Å; L49-L160 HydrophobicContact CD2-CG 4.35Å; L49-L160 HydrophobicContact CG-CD2 4.46Å; L49-I180 HydrophobicContact CB-CG2 4.06Å; L49-T181 PolarHBondContact N-OG1 2.94Å; L49-T194 HydrophobicContact CD2-CG2 4.16Å
50	G	93.8	Very high	92.4	Very high	12 Å²	12	49 Å²	49	12%	0.124	29%	0.286	C	S	.	.			trans	-78.5	164.5	-177.3	0	0	0	0	0	114	D48 T52 N53 S78	D48-G50 PolarHBondContact O-N 3.44Å; G50-T52 VanDerWaalsContact C-N 3.33Å; G50-N53 WeakPolarHBondContact CA-O 3.33Å; G50-N53 PolarHBondContact N-O 3.28Å; G50-S78 VanDerWaalsContact O-CB 3.3Å; G50-S78 WeakPolarHBondContact O-CB 3.42Å; G50-S78 PolarHBondContact O-OG 2.92Å
51	T	93.9	Very high	92.9	Very high	41 Å²	41	49.2 Å²	49.2	25%	0.252	30%	0.303	S	S	.	.	S	Bend	trans	-67.1	-34.4	177.3	-54.6	0	0	0	0	112.4	A108 K110 R111	T51-A108 HydrophobicContact CG2-CB 3.84Å; T51-K110 HydrophobicContact CG2-CB 4.48Å; T51-R111 HydrophobicContact CG2-CG 4.06Å
52	T	95.1	Very high	93.3	Very high	97 Å²	97	47 Å²	47	60%	0.595	30%	0.3	S	S	*	.	S	Bend	trans	-109.9	-44.8	-175.9	-53.1	0	0	0	0	112.1	G50 P77 S78	G50-T52 VanDerWaalsContact C-N 3.33Å; T52-P77 CarbonylContact O-C 3.57Å; T52-P77 WeakPolarHBondContact O-CA 3.44Å; T52-S78 PolarHBondContact O-N 2.88Å
53	N	97.1	Very high	93.5	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.342	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.1	179	-57	-61.5	0	0	0	108.7	G50 T76 S78	G50-N53 WeakPolarHBondContact CA-O 3.33Å; G50-N53 PolarHBondContact N-O 3.28Å; N53-T76 CarbonylContact C-O 3.53Å; N53-T76 WeakPolarHBondContact CA-O 3.37Å; N53-S78 VanDerWaalsContact C-OG 3.31Å
54	S	97.5	Very high	93.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.2	172.6	-61.8	0	0	0	0	110.4	D48 T75 T76 S78 V159	D48-S54 CarbonylContact O-C 3.6Å; D48-S54 WeakPolarHBondContact O-CA 3.27Å; D48-S54 VanDerWaalsContact O-CB 3.27Å; D48-S54 WeakPolarHBondContact O-CB 3.31Å; S54-T75 CarbonylContact O-C 3.6Å; S54-T75 WeakPolarHBondContact O-CA 3.45Å; S54-T76 PolarHBondContact N-O 3.04Å; S54-T76 PolarHBondContact O-N 2.93Å; S54-S78 PolarHBondContact N-OG 3.25Å; S54-S78 PolarHBondContact OG-OG 2.8Å; S54-V159 WeakPolarHBondContact OG-CG1 3.27Å
55	C	97.2	Very high	93.7	Very high	28 Å²	28	53 Å²	53	19%	0.189	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.5	-178.7	-177.9	0	0	0	0	109.2	I47 D48 V66 T75	I47-C55 WeakPolarHBondContact CA-O 3.13Å; D48-C55 HydrophobicContact CB-CB 4.17Å; D48-C55 PolarHBondContact N-O 2.66Å; D48-C55 PolarHBondContact O-N 3.3Å; C55-V66 WeakPolarHBondContact SG-CG1 3.47Å; C55-T75 HydrophobicContact CB-CG2 4.39Å
56	V	97.6	Very high	93.7	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.6	175.3	62.9	0	0	0	0	110.3	I45 G46 I47 I67 M163 T166 A167	I45-V56 HydrophobicContact CB-CG2 4.17Å; I45-V56 HydrophobicContact CD1-CG2 4.21Å; G46-V56 CarbonylContact O-C 3.41Å; G46-V56 WeakPolarHBondContact O-CA 3.39Å; I47-V56 HydrophobicContact CG1-CG2 4.06Å; V56-I67 HydrophobicContact CG1-CB 4.28Å; V56-I67 PolarHBondContact O-N 2.84Å; V56-M163 HydrophobicContact CB-CB 4.19Å; V56-M163 HydrophobicContact CB-SD 4.41Å; V56-M163 HydrophobicContact CG1-SD 4.36Å; V56-T166 HydrophobicContact CG1-CG2 3.8Å; V56-A167 HydrophobicContact CG2-CB 4.18Å
57	A	96.7	Very high	93.6	Very high	25 Å²	25	54 Å²	54	21%	0.207	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.3	178.7	0	0	0	0	0	111.3	G46 K65 V66	G46-A57 PolarHBondContact N-O 3.18Å; G46-A57 PolarHBondContact O-N 3.05Å; A57-K65 CarbonylContact C-O 3.57Å; A57-K65 WeakPolarHBondContact CA-O 3.24Å; A57-K65 WeakPolarHBondContact CB-O 3.42Å; A57-V66 HydrophobicContact CB-CG2 4.42Å
58	V	94.6	Very high	93.5	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	159.3	171.9	-72.6	0	0	0	0	110	I45 E60 K65 I67 Y170 L171	I45-V58 HydrophobicContact CG2-CG1 3.78Å; V58-E60 HydrophobicContact CG2-CG 4.35Å; V58-K65 PolarHBondContact N-O 2.81Å; V58-K65 PolarHBondContact O-N 2.96Å; V58-I67 HydrophobicContact CB-CD1 4.16Å; V58-I67 HydrophobicContact CG1-CD1 3.52Å; V58-I67 HydrophobicContact CG2-CD1 3.71Å; V58-I67 HydrophobicContact CG2-CG1 3.98Å; V58-Y170 HydrophobicContact CG2-CD1 4.13Å; V58-Y170 HydrophobicContact CG2-CE1 3.91Å; V58-L171 HydrophobicContact CG1-CD1 4Å; V58-L171 HydrophobicContact CG1-CD2 4.28Å; V58-L171 HydrophobicContact CG1-CG 4.31Å
59	M	90.7	Very high	93.5	Very high	103 Å²	103	56.3 Å²	56.3	51%	0.507	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118	169.4	-69.9	-61.4	-57.6	0	0	109.7	K62 A64 M221	M59-K62 WeakPolarHBondContact CE-O 3.36Å; M59-A64 HydrophobicContact SD-CB 3.8Å; M59-M221 HydrophobicContact CE-CE 3.77Å; M59-M221 HydrophobicContact SD-CE 4.15Å
60	E	87.6	Confident	93.4	Very high	86 Å²	86	59.7 Å²	59.7	40%	0.402	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	98	168.3	-66.1	-166.1	153.3	0	0	108.6	V58 K62 Q63 K65 Y170	V58-E60 HydrophobicContact CG2-CG 4.35Å; E60-K62 PolarHBondContact O-N 3.27Å; E60-Q63 PolarHBondContact N-O 3.37Å; E60-Q63 PolarHBondContact O-N 3.37Å; E60-Q63 VanDerWaalsContact O-N 3.12Å; E60-K65 HydrophobicContact CG-CB 4.44Å; E60-K65 HydrophobicContact CG-CD 4.41Å; E60-K65 IonicContact OE1-NZ 3.93Å; E60-K65 WeakPolarHBondContact OE2-CD 3.32Å; E60-K65 IonicContact OE2-NZ 3.27Å; E60-K65 PolarHBondContact OE2-NZ 2.91Å; E60-Y170 VanDerWaalsContact OE1-CE1 3.23Å; E60-Y170 WeakPolarHBondContact OE1-CE1 3.14Å; E60-Y170 VanDerWaalsContact OE1-CZ 3.26Å; E60-Y170 PolarHBondContact OE1-OH 2.78Å
61	G	85.6	Confident	93.4	Very high	77 Å²	77	61.6 Å²	61.6	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-109.7	-171.5	0	0	0	0	0	111.2
62	K	84.5	Confident	93.3	Very high	181 Å²	181	61.8 Å²	61.8	79%	0.787	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-12.4	178.9	-65.2	-175.7	-179.1	179	0	113.8	M59 E60 M221	M59-K62 WeakPolarHBondContact CE-O 3.36Å; E60-K62 PolarHBondContact O-N 3.27Å; K62-M221 WeakPolarHBondContact O-CE 3.15Å
63	Q	86.5	Confident	93.4	Very high	137 Å²	137	61.9 Å²	61.9	64%	0.64	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.6	-175.2	-67.4	-176.7	1.1	0	0	110.6	E60	E60-Q63 PolarHBondContact N-O 3.37Å; E60-Q63 PolarHBondContact O-N 3.37Å; E60-Q63 VanDerWaalsContact O-N 3.12Å
64	A	92.4	Very high	93.3	Very high	64 Å²	64	65 Å²	65	53%	0.529	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.9	171.5	0	0	0	0	0	109.3	M59 M221	M59-A64 HydrophobicContact SD-CB 3.8Å; A64-M221 HydrophobicContact CB-CE 4.39Å
65	K	93.6	Very high	93.3	Very high	80 Å²	80	68 Å²	68	35%	0.348	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.8	179	-173.2	173.3	-175.5	176.8	0	110.8	A57 V58 E60 Y170	A57-K65 CarbonylContact C-O 3.57Å; A57-K65 WeakPolarHBondContact CA-O 3.24Å; A57-K65 WeakPolarHBondContact CB-O 3.42Å; V58-K65 PolarHBondContact N-O 2.81Å; V58-K65 PolarHBondContact O-N 2.96Å; E60-K65 HydrophobicContact CG-CB 4.44Å; E60-K65 HydrophobicContact CG-CD 4.41Å; E60-K65 IonicContact OE1-NZ 3.93Å; E60-K65 WeakPolarHBondContact OE2-CD 3.32Å; E60-K65 IonicContact OE2-NZ 3.27Å; E60-K65 PolarHBondContact OE2-NZ 2.91Å; K65-Y170 WeakPolarHBondContact CD-OH 3.49Å; K65-Y170 VanDerWaalsContact CE-OH 3.26Å; K65-Y170 WeakPolarHBondContact CE-OH 3.48Å; K65-Y170 PolarHBondContact NZ-OH 2.82Å
66	V	96.1	Very high	93.3	Very high	51 Å²	51	66.9 Å²	66.9	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.9	171.2	177.3	0	0	0	0	109.6	C55 A57 R74	C55-V66 WeakPolarHBondContact SG-CG1 3.47Å; A57-V66 HydrophobicContact CB-CG2 4.42Å; V66-R74 HydrophobicContact CG1-CB 3.84Å; V66-R74 HydrophobicContact CG1-CG 4.22Å
67	I	95.3	Very high	93.3	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-94.7	142	-176.5	-57.3	175	0	0	0	110.1	V56 V58 T166 A167 Y170	V56-I67 HydrophobicContact CG1-CB 4.28Å; V56-I67 PolarHBondContact O-N 2.84Å; V58-I67 HydrophobicContact CB-CD1 4.16Å; V58-I67 HydrophobicContact CG1-CD1 3.52Å; V58-I67 HydrophobicContact CG2-CD1 3.71Å; V58-I67 HydrophobicContact CG2-CG1 3.98Å; I67-T166 HydrophobicContact CB-CG2 4.29Å; I67-T166 HydrophobicContact CG2-CG2 3.64Å; I67-A167 HydrophobicContact CD1-CB 4.12Å; I67-Y170 HydrophobicContact CD1-CD1 3.65Å; I67-Y170 HydrophobicContact CD1-CE1 4.46Å; I67-Y170 HydrophobicContact CD1-CG 3.83Å; I67-Y170 HydrophobicContact CG1-CD1 3.98Å; I67-Y170 HydrophobicContact CG1-CD2 4.44Å; I67-Y170 HydrophobicContact CG1-CE1 4.47Å; I67-Y170 HydrophobicContact CG1-CG 3.99Å; I67-Y170 HydrophobicContact CG2-CD2 3.92Å; I67-Y170 HydrophobicContact CG2-CG 3.78Å
68	E	96.2	Very high	93.3	Very high	103 Å²	103	66.4 Å²	66.4	48%	0.481	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-83.7	135.9	172.7	-68.8	172.9	-173.9	0	0	110.8	H73 R74 T166	E68-H73 WeakPolarHBondContact CA-O 3.48Å; E68-R74 HydrophobicContact CG-CG 3.76Å; E68-R74 IonicContact OE1-CZ 3.9Å; E68-R74 IonicContact OE1-NH1 3.02Å; E68-R74 PolarHBondContact OE1-NH1 3.03Å; E68-T166 WeakPolarHBondContact O-CG2 3.27Å
69	N	95.8	Very high	93.4	Very high	9 Å²	9	67.2 Å²	67.2	5%	0.048	37%	0.374	C	S	.	.			trans	-71.7	175.1	173.9	64.4	17.6	0	0	0	111.8	E71 G72 H73 T75 T76 T166	N69-E71 PolarHBondContact ND2-OE2 3.22Å; N69-E71 PolarHBondContact O-N 3.42Å; N69-E71 WeakPolarHBondContact OD1-CA 3.46Å; N69-E71 WeakPolarHBondContact OD1-CB 3.44Å; N69-E71 PolarHBondContact OD1-N 3.01Å; N69-E71 VanDerWaalsContact OD1-N 3.11Å; N69-E71 PolarHBondContact OD1-OE2 3.34Å; N69-G72 PolarHBondContact O-N 3.49Å; N69-G72 PolarHBondContact OD1-N 3.5Å; N69-G72 VanDerWaalsContact OD1-N 3.17Å; N69-H73 PolarHBondContact N-O 2.73Å; N69-H73 PolarHBondContact ND2-O 3.2Å; N69-H73 PolarHBondContact OD1-N 3.49Å; N69-H73 PolarHBondContact OD1-O 2.73Å; N69-T75 PolarHBondContact ND2-O 3.41Å; N69-T76 PolarHBondContact ND2-OG1 2.9Å; N69-T166 HydrophobicContact CB-CG2 4.24Å
70	A	93.7	Very high	93.8	Very high	80 Å²	80	62.3 Å²	62.3	66%	0.661	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	178.4	0	0	0	0	0	113.5
71	E	92.6	Very high	94.2	Very high	53 Å²	53	58.2 Å²	58.2	25%	0.248	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.1	177.3	-57.5	79.6	-167.8	0	0	113.4	N69 A92 K162	N69-E71 PolarHBondContact ND2-OE2 3.22Å; N69-E71 PolarHBondContact O-N 3.42Å; N69-E71 WeakPolarHBondContact OD1-CA 3.46Å; N69-E71 WeakPolarHBondContact OD1-CB 3.44Å; N69-E71 PolarHBondContact OD1-N 3.01Å; N69-E71 VanDerWaalsContact OD1-N 3.11Å; N69-E71 PolarHBondContact OD1-OE2 3.34Å; E71-A92 HydrophobicContact CG-CB 4.29Å; E71-K162 IonicContact OE1-NZ 3.7Å; E71-K162 PolarHBondContact OE1-NZ 3.06Å; E71-K162 IonicContact OE2-NZ 2.61Å
72	G	93.8	Very high	94.8	Very high	45 Å²	45	55.1 Å²	55.1	46%	0.464	30%	0.295	S	S	.	.	S	Bend	trans	79.6	17.8	179.1	0	0	0	0	0	114.4	N69	N69-G72 PolarHBondContact O-N 3.49Å; N69-G72 PolarHBondContact OD1-N 3.5Å; N69-G72 VanDerWaalsContact OD1-N 3.17Å
73	H	95.6	Very high	95.2	Very high	98 Å²	98	47.4 Å²	47.4	45%	0.454	26%	0.263	S	S	.	.			trans	-109.4	139.6	179.4	-59.3	-49.3	0	0	0	111.5	E68 N69 T75	E68-H73 WeakPolarHBondContact CA-O 3.48Å; N69-H73 PolarHBondContact N-O 2.73Å; N69-H73 PolarHBondContact ND2-O 3.2Å; N69-H73 PolarHBondContact OD1-N 3.49Å; N69-H73 PolarHBondContact OD1-O 2.73Å; H73-T75 WeakPolarHBondContact CB-O 3.45Å; H73-T75 PolarHBondContact O-N 3.44Å
74	R	95.6	Very high	95.4	Very high	129 Å²	129	45.3 Å²	45.3	49%	0.487	27%	0.269	S	S	.	.	S	Bend	trans	-72.2	-11.2	174.4	-68.2	-175.4	123.9	90.9	-3.3	114.2	V66 E68	V66-R74 HydrophobicContact CG1-CB 3.84Å; V66-R74 HydrophobicContact CG1-CG 4.22Å; E68-R74 HydrophobicContact CG-CG 3.76Å; E68-R74 IonicContact OE1-CZ 3.9Å; E68-R74 IonicContact OE1-NH1 3.02Å; E68-R74 PolarHBondContact OE1-NH1 3.03Å
75	T	97.2	Very high	95.3	Very high	66 Å²	66	49.7 Å²	49.7	41%	0.405	28%	0.284	S	S	.	.	S	Bend	trans	-132.5	149.7	174.8	64.3	0	0	0	0	109.7	S54 C55 N69 H73	S54-T75 CarbonylContact O-C 3.6Å; S54-T75 WeakPolarHBondContact O-CA 3.45Å; C55-T75 HydrophobicContact CB-CG2 4.39Å; N69-T75 PolarHBondContact ND2-O 3.41Å; H73-T75 WeakPolarHBondContact CB-O 3.45Å; H73-T75 PolarHBondContact O-N 3.44Å
76	T	97.3	Very high	95.2	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.6	178.9	-58.1	0	0	0	0	109	N53 S54 N69 S78 K162 M163	N53-T76 CarbonylContact C-O 3.53Å; N53-T76 WeakPolarHBondContact CA-O 3.37Å; S54-T76 PolarHBondContact N-O 3.04Å; S54-T76 PolarHBondContact O-N 2.93Å; N69-T76 PolarHBondContact ND2-OG1 2.9Å; T76-S78 PolarHBondContact O-N 2.84Å; T76-K162 HydrophobicContact CG2-CG 4.31Å; T76-M163 HydrophobicContact CG2-CE 3.55Å; T76-M163 WeakPolarHBondContact OG1-CE 3.32Å
77	P	97.6	Very high	95	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	131.8	174.6	-26.6	34.8	0	0	0	111.8	T52 I79 G91	T52-P77 CarbonylContact O-C 3.57Å; T52-P77 WeakPolarHBondContact O-CA 3.44Å; P77-I79 HydrophobicContact CB-CB 4.44Å; P77-I79 HydrophobicContact CB-CD1 4.07Å; P77-I79 HydrophobicContact CB-CG1 4.04Å; P77-I79 PolarHBondContact O-N 2.91Å; P77-G91 WeakPolarHBondContact O-CA 3.49Å
78	S	97.1	Very high	95.1	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.063	32%	0.323	C	S	.	.	S	Bend	trans	-78	57.5	175.5	-58.3	0	0	0	0	110.3	G50 T52 N53 S54 T76	G50-S78 VanDerWaalsContact O-CB 3.3Å; G50-S78 WeakPolarHBondContact O-CB 3.42Å; G50-S78 PolarHBondContact O-OG 2.92Å; T52-S78 PolarHBondContact O-N 2.88Å; N53-S78 VanDerWaalsContact C-OG 3.31Å; S54-S78 PolarHBondContact N-OG 3.25Å; S54-S78 PolarHBondContact OG-OG 2.8Å; T76-S78 PolarHBondContact O-N 2.84Å
79	I	97.3	Very high	95.1	Very high	23 Å²	23	53.4 Å²	53.4	12%	0.118	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.4	-175.2	-55.6	-179.7	0	0	0	108	P77 V90 G91 A94 R95 T105 L106	P77-I79 HydrophobicContact CB-CB 4.44Å; P77-I79 HydrophobicContact CB-CD1 4.07Å; P77-I79 HydrophobicContact CB-CG1 4.04Å; P77-I79 PolarHBondContact O-N 2.91Å; I79-V90 WeakPolarHBondContact O-CA 3.5Å; I79-G91 PolarHBondContact O-N 3Å; I79-A94 HydrophobicContact CB-CB 4.32Å; I79-A94 HydrophobicContact CG2-CB 3.83Å; I79-R95 HydrophobicContact CD1-CB 3.97Å; I79-R95 HydrophobicContact CD1-CG 3.94Å; I79-T105 HydrophobicContact CG2-CG2 3.44Å; I79-T105 VanDerWaalsContact CG2-CG2 3.44Å; I79-L106 WeakPolarHBondContact CA-O 3.49Å
80	V	97.6	Very high	95.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.6	175.5	-179.8	0	0	0	0	107.8	F82 R88 L89 V90 L106 I155 F158 V159	V80-F82 HydrophobicContact CG1-CE2 4.24Å; V80-F82 HydrophobicContact CG1-CZ 4.2Å; V80-R88 HydrophobicContact CG1-CG 4.03Å; V80-L89 CarbonylContact C-O 3.55Å; V80-L89 WeakPolarHBondContact CA-O 3.36Å; V80-V90 HydrophobicContact CG1-CG2 4.41Å; V80-V90 HydrophobicContact CG2-CG1 4.42Å; V80-V90 HydrophobicContact CG2-CG2 4.32Å; V80-L106 PolarHBondContact N-O 3.43Å; V80-L106 WeakPolarHBondContact O-CA 3.27Å; V80-L106 WeakPolarHBondContact O-CB 3.39Å; V80-L106 PolarHBondContact O-N 3.29Å; V80-I155 HydrophobicContact CB-CG2 4.04Å; V80-I155 HydrophobicContact CG2-CG2 3.78Å; V80-F158 HydrophobicContact CG1-CB 4.45Å; V80-F158 HydrophobicContact CG1-CD2 4Å; V80-F158 HydrophobicContact CG2-CB 4.05Å; V80-V159 HydrophobicContact CG2-CG2 3.85Å
81	A	97.5	Very high	95.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154	174.3	0	0	0	0	0	112.5	L89 A94 N104 T105	A81-L89 HydrophobicContact CB-CB 4.48Å; A81-L89 PolarHBondContact N-O 2.84Å; A81-L89 PolarHBondContact O-N 2.92Å; A81-A94 HydrophobicContact CB-CB 3.86Å; A81-N104 VanDerWaalsContact CA-O 3.24Å; A81-N104 WeakPolarHBondContact CA-O 3.4Å; A81-T105 HydrophobicContact CB-CG2 4.18Å
82	F	96.6	Very high	95.4	Very high	12 Å²	12	48 Å²	48	5%	0.053	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.3	175.6	-60.6	-80.8	0	0	0	109.7	V80 E87 R88 N101 N104 L106 C145 H146 Y150 I155 F158	V80-F82 HydrophobicContact CG1-CE2 4.24Å; V80-F82 HydrophobicContact CG1-CZ 4.2Å; F82-E87 WeakPolarHBondContact CA-O 3.35Å; F82-R88 HydrophobicContact CD1-CB 4.12Å; F82-R88 HydrophobicContact CD1-CG 4.23Å; F82-R88 HydrophobicContact CE1-CB 3.99Å; F82-R88 HydrophobicContact CE1-CG 3.77Å; F82-R88 HydrophobicContact CZ-CG 4.4Å; F82-N101 PolarHBondContact O-ND2 2.68Å; F82-N104 PolarHBondContact N-O 2.61Å; F82-N104 WeakPolarHBondContact O-CB 3.36Å; F82-L106 HydrophobicContact CD2-CD1 4.49Å; F82-L106 HydrophobicContact CE2-CD1 3.9Å; F82-C145 HydrophobicContact CD2-CB 3.69Å; F82-C145 HydrophobicContact CE2-CB 4.31Å; F82-C145 HydrophobicContact CG-CB 4.42Å; F82-H146 PolarHBondContact O-NE2 2.83Å; F82-Y150 HydrophobicContact CD2-CE2 4.36Å; F82-Y150 HydrophobicContact CE1-CE1 4.34Å; F82-Y150 HydrophobicContact CE1-CE2 4.35Å; F82-Y150 AromaticContact CE1-CZ 3.87Å; F82-Y150 HydrophobicContact CE2-CD2 4.08Å; F82-Y150 AromaticContact CE2-CE2 3.76Å; F82-Y150 HydrophobicContact CE2-CE2 3.76Å; F82-Y150 HydrophobicContact CZ-CD1 4.37Å; F82-Y150 HydrophobicContact CZ-CD2 4.24Å; F82-Y150 AromaticContact CZ-CE1 3.9Å; F82-Y150 HydrophobicContact CZ-CE1 3.9Å; F82-Y150 AromaticContact CZ-CE2 3.76Å; F82-Y150 HydrophobicContact CZ-CE2 3.76Å; F82-Y150 AromaticContact CZ-CZ 3.57Å; F82-I155 HydrophobicContact CE2-CD1 4.36Å; F82-I155 HydrophobicContact CZ-CD1 4.49Å; F82-F158 HydrophobicContact CZ-CD2 4.44Å; F82-F158 AromaticContact CZ-CE2 3.91Å; F82-F158 HydrophobicContact CZ-CE2 3.91Å
83	T	94.4	Very high	95.5	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.117	26%	0.263	C	S	.	.			trans	-74	165.7	175.8	70.2	0	0	0	0	110.4	D85 G86 E87 L89 H146	T83-D85 PolarHBondContact O-N 2.75Å; T83-G86 PolarHBondContact O-N 2.76Å; T83-G86 VanDerWaalsContact O-N 3.08Å; T83-E87 HydrophobicContact CG2-CB 4.18Å; T83-E87 PolarHBondContact N-O 3.35Å; T83-E87 VanDerWaalsContact OG1-CB 3.24Å; T83-E87 WeakPolarHBondContact OG1-CB 3.48Å; T83-E87 PolarHBondContact OG1-N 3.11Å; T83-E87 VanDerWaalsContact OG1-N 3.1Å; T83-E87 PolarHBondContact OG1-O 3.32Å; T83-L89 HydrophobicContact CG2-CD1 3.72Å; T83-L89 HydrophobicContact CG2-CG 3.99Å; T83-H146 PolarHBondContact O-NE2 2.96Å
84	A	90.6	Very high	95.5	Very high	92 Å²	92	43.2 Å²	43.2	76%	0.76	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.4	176.2	0	0	0	0	0	112.3	G86	A84-G86 PolarHBondContact O-N 3.04Å
85	D	90.6	Very high	95.5	Very high	157 Å²	157	44.5 Å²	44.5	84%	0.84	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.1	177.8	-52.8	-41	0	0	0	112.9	T83	T83-D85 PolarHBondContact O-N 2.75Å
86	G	89.7	Confident	95.5	Very high	48 Å²	48	50.7 Å²	50.7	50%	0.495	26%	0.262	S	S	.	.	S	Bend	trans	83.1	8.7	-179	0	0	0	0	0	114.4	T83 A84	T83-G86 PolarHBondContact O-N 2.76Å; T83-G86 VanDerWaalsContact O-N 3.08Å; A84-G86 PolarHBondContact O-N 3.04Å
87	E	93.8	Very high	95.3	Very high	118 Å²	118	52.1 Å²	52.1	55%	0.551	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-71.4	139.5	173.8	-166	-172.3	178.9	0	0	110.6	F82 T83 L89	F82-E87 WeakPolarHBondContact CA-O 3.35Å; T83-E87 HydrophobicContact CG2-CB 4.18Å; T83-E87 PolarHBondContact N-O 3.35Å; T83-E87 VanDerWaalsContact OG1-CB 3.24Å; T83-E87 WeakPolarHBondContact OG1-CB 3.48Å; T83-E87 PolarHBondContact OG1-N 3.11Å; T83-E87 VanDerWaalsContact OG1-N 3.1Å; T83-E87 PolarHBondContact OG1-O 3.32Å; E87-L89 HydrophobicContact CG-CD2 4.48Å
88	R	95.4	Very high	95.2	Very high	117 Å²	117	53.1 Å²	53.1	44%	0.442	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.1	176.6	-177.6	-177.5	66	-137.8	-1.3	110.3	V80 F82 V90 F158	V80-R88 HydrophobicContact CG1-CG 4.03Å; F82-R88 HydrophobicContact CD1-CB 4.12Å; F82-R88 HydrophobicContact CD1-CG 4.23Å; F82-R88 HydrophobicContact CE1-CB 3.99Å; F82-R88 HydrophobicContact CE1-CG 3.77Å; F82-R88 HydrophobicContact CZ-CG 4.4Å; R88-V90 HydrophobicContact CG-CG2 4.27Å; R88-F158 VanDerWaalsContact CD-CG 3.49Å; R88-F158 VanDerWaalsContact CZ-CD1 3.43Å; R88-F158 VanDerWaalsContact NH1-CD1 3.26Å
89	L	96.5	Very high	95.1	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140	173.4	-57.1	178.4	0	0	0	110.1	V80 A81 T83 E87 P93 A94 Q97	V80-L89 CarbonylContact C-O 3.55Å; V80-L89 WeakPolarHBondContact CA-O 3.36Å; A81-L89 HydrophobicContact CB-CB 4.48Å; A81-L89 PolarHBondContact N-O 2.84Å; A81-L89 PolarHBondContact O-N 2.92Å; T83-L89 HydrophobicContact CG2-CD1 3.72Å; T83-L89 HydrophobicContact CG2-CG 3.99Å; E87-L89 HydrophobicContact CG-CD2 4.48Å; L89-P93 HydrophobicContact CB-CB 4.34Å; L89-P93 HydrophobicContact CD2-CB 4.32Å; L89-A94 HydrophobicContact CB-CB 4.05Å; L89-Q97 HydrophobicContact CD1-CG 3.95Å
90	V	96.9	Very high	95	Very high	19 Å²	19	64.2 Å²	64.2	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.4	178.2	-176.5	0	0	0	0	109.4	I79 V80 R88 P93 F158 V159 K162	I79-V90 WeakPolarHBondContact O-CA 3.5Å; V80-V90 HydrophobicContact CG1-CG2 4.41Å; V80-V90 HydrophobicContact CG2-CG1 4.42Å; V80-V90 HydrophobicContact CG2-CG2 4.32Å; R88-V90 HydrophobicContact CG-CG2 4.27Å; V90-P93 WeakPolarHBondContact O-CD 3.47Å; V90-F158 HydrophobicContact CG2-CB 4.11Å; V90-V159 HydrophobicContact CG1-CG2 4.35Å; V90-K162 HydrophobicContact CG1-CB 3.95Å; V90-K162 HydrophobicContact CG1-CG 4.35Å
91	G	96.8	Very high	94.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	84	-137.1	174.6	0	0	0	0	0	114	P77 I79 A94 R95	P77-G91 WeakPolarHBondContact O-CA 3.49Å; I79-G91 PolarHBondContact O-N 3Å; G91-A94 PolarHBondContact O-N 2.9Å; G91-R95 PolarHBondContact O-N 3.17Å
92	A	95.7	Very high	94.7	Very high	11 Å²	11	67.1 Å²	67.1	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-59.2	-41	-178.2	0	0	0	0	0	113.6	E71 A94 R95 R96	E71-A92 HydrophobicContact CG-CB 4.29Å; A92-A94 VanDerWaalsContact C-N 3.34Å; A92-A94 PolarHBondContact O-N 3.32Å; A92-R95 PolarHBondContact O-N 3.13Å; A92-R96 WeakPolarHBondContact O-CG 3.35Å; A92-R96 PolarHBondContact O-N 3.36Å
93	P	95.5	Very high	94.6	Very high	42 Å²	42	70.6 Å²	70.6	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-55.7	-44.5	172.4	-27.5	35.5	0	0	0	113.5	L89 V90 R96	L89-P93 HydrophobicContact CB-CB 4.34Å; L89-P93 HydrophobicContact CD2-CB 4.32Å; V90-P93 WeakPolarHBondContact O-CD 3.47Å; P93-R96 PolarHBondContact O-N 3.01Å
94	A	96.9	Very high	94.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-39.1	177.8	0	0	0	0	0	112	I79 A81 L89 G91 A92 R96 Q97 A98	I79-A94 HydrophobicContact CB-CB 4.32Å; I79-A94 HydrophobicContact CG2-CB 3.83Å; A81-A94 HydrophobicContact CB-CB 3.86Å; L89-A94 HydrophobicContact CB-CB 4.05Å; G91-A94 PolarHBondContact O-N 2.9Å; A92-A94 VanDerWaalsContact C-N 3.34Å; A92-A94 PolarHBondContact O-N 3.32Å; A94-R96 PolarHBondContact O-N 2.91Å; A94-Q97 PolarHBondContact O-N 3.08Å; A94-A98 PolarHBondContact O-N 3.06Å
95	R	95.6	Very high	95	Very high	156 Å²	156	66.4 Å²	66.4	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-40	177.2	-171	175.5	180	178.5	-0.4	112.7	I79 G91 A92 Q97 A98	I79-R95 HydrophobicContact CD1-CB 3.97Å; I79-R95 HydrophobicContact CD1-CG 3.94Å; G91-R95 PolarHBondContact O-N 3.17Å; A92-R95 PolarHBondContact O-N 3.13Å; R95-Q97 VanDerWaalsContact C-N 3.29Å; R95-Q97 PolarHBondContact O-N 3.22Å; R95-A98 WeakPolarHBondContact O-CB 3.36Å; R95-A98 PolarHBondContact O-N 2.75Å
96	R	95.4	Very high	95.3	Very high	195 Å²	195	58.9 Å²	58.9	74%	0.736	31%	0.312	S	S	*	.	H	α-helix	trans	-61.8	-36	-177.7	-74.1	173.6	-172.2	167.2	3.4	112.7	A92 P93 A94	A92-R96 WeakPolarHBondContact O-CG 3.35Å; A92-R96 PolarHBondContact O-N 3.36Å; P93-R96 PolarHBondContact O-N 3.01Å; A94-R96 PolarHBondContact O-N 2.91Å
97	Q	94.5	Very high	95.6	Very high	34 Å²	34	60.5 Å²	60.5	16%	0.159	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	7.3	-179.4	63.4	107.7	65.5	0	0	114.1	L89 A94 R95 V99 T100 N101 T105	L89-Q97 HydrophobicContact CD1-CG 3.95Å; A94-Q97 PolarHBondContact O-N 3.08Å; R95-Q97 VanDerWaalsContact C-N 3.29Å; R95-Q97 PolarHBondContact O-N 3.22Å; Q97-V99 PolarHBondContact O-N 3.07Å; Q97-T100 PolarHBondContact O-N 3.27Å; Q97-T100 PolarHBondContact O-OG1 3.15Å; Q97-N101 PolarHBondContact NE2-ND2 3.43Å; Q97-N101 PolarHBondContact O-N 2.96Å; Q97-N101 PolarHBondContact OE1-ND2 2.88Å; Q97-T105 PolarHBondContact NE2-OG1 3.49Å
98	A	94.7	Very high	95.6	Very high	30 Å²	30	55.6 Å²	55.6	25%	0.248	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.3	-178.1	0	0	0	0	0	113.3	A94 R95 A102 T105	A94-A98 PolarHBondContact O-N 3.06Å; R95-A98 WeakPolarHBondContact O-CB 3.36Å; R95-A98 PolarHBondContact O-N 2.75Å; A98-A102 VanDerWaalsContact O-CA 3.27Å; A98-A102 WeakPolarHBondContact O-CA 3.49Å; A98-A102 PolarHBondContact O-N 3.21Å; A98-T105 HydrophobicContact CB-CG2 3.81Å
99	V	94.5	Very high	95.5	Very high	138 Å²	138	50.6 Å²	50.6	84%	0.836	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.5	-179.6	179.4	0	0	0	0	111.5	Q97	Q97-V99 PolarHBondContact O-N 3.07Å
100	T	95	Very high	95.3	Very high	127 Å²	127	49.9 Å²	49.9	78%	0.779	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-22.8	-177.5	51.5	0	0	0	0	113.1	Q97	Q97-T100 PolarHBondContact O-N 3.27Å; Q97-T100 PolarHBondContact O-OG1 3.15Å
101	N	94.7	Very high	95.1	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.15	28%	0.279	C	S	.	.	S	Bend	trans	-129.2	54	-178.4	-175.4	18.1	0	0	0	111.1	F82 Q97 V103 N104 T105	F82-N101 PolarHBondContact O-ND2 2.68Å; Q97-N101 PolarHBondContact NE2-ND2 3.43Å; Q97-N101 PolarHBondContact O-N 2.96Å; Q97-N101 PolarHBondContact OE1-ND2 2.88Å; N101-V103 VanDerWaalsContact C-N 3.33Å; N101-V103 PolarHBondContact O-N 2.92Å; N101-N104 PolarHBondContact O-N 3.37Å; N101-N104 WeakPolarHBondContact OD1-CB 3.49Å; N101-N104 PolarHBondContact OD1-ND2 2.69Å; N101-T105 VanDerWaalsContact O-CB 3.31Å; N101-T105 WeakPolarHBondContact O-CB 3.34Å; N101-T105 PolarHBondContact O-N 2.96Å; N101-T105 PolarHBondContact O-OG1 2.69Å
102	A	94.2	Very high	94.9	Very high	35 Å²	35	55.1 Å²	55.1	29%	0.289	28%	0.279	S	S	.	.			trans	-64.3	-33.5	-173.5	0	0	0	0	0	113.7	A98 S130	A98-A102 VanDerWaalsContact O-CA 3.27Å; A98-A102 WeakPolarHBondContact O-CA 3.49Å; A98-A102 PolarHBondContact O-N 3.21Å; A102-S130 WeakPolarHBondContact O-CB 3.45Å; A102-S130 PolarHBondContact O-OG 3.24Å
103	V	94.7	Very high	94.8	Very high	85 Å²	85	54.8 Å²	54.8	52%	0.515	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-32.8	-176.9	-179.9	0	0	0	0	112.2	N101 Y131	N101-V103 VanDerWaalsContact C-N 3.33Å; N101-V103 PolarHBondContact O-N 2.92Å; V103-Y131 WeakPolarHBondContact O-CB 3.34Å
104	N	96.1	Very high	94.6	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.112	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	17.2	-179.5	-47.8	-73	0	0	0	112.8	A81 F82 N101 C145 H146	A81-N104 VanDerWaalsContact CA-O 3.24Å; A81-N104 WeakPolarHBondContact CA-O 3.4Å; F82-N104 PolarHBondContact N-O 2.61Å; F82-N104 WeakPolarHBondContact O-CB 3.36Å; N101-N104 PolarHBondContact O-N 3.37Å; N101-N104 WeakPolarHBondContact OD1-CB 3.49Å; N101-N104 PolarHBondContact OD1-ND2 2.69Å; N104-C145 HydrophobicContact CB-CB 4.34Å; N104-H146 VanDerWaalsContact CG-CE1 3.45Å; N104-H146 VanDerWaalsContact CG-NE2 3.3Å; N104-H146 PolarHBondContact ND2-CE1 3.07Å; N104-H146 PolarHBondContact ND2-NE2 2.85Å; N104-H146 PolarHBondContact OD1-N 2.99Å
105	T	96.9	Very high	94.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.9	172.1	-59.6	0	0	0	0	109.6	I79 A81 Q97 A98 N101 Y131	I79-T105 HydrophobicContact CG2-CG2 3.44Å; I79-T105 VanDerWaalsContact CG2-CG2 3.44Å; A81-T105 HydrophobicContact CB-CG2 4.18Å; Q97-T105 PolarHBondContact NE2-OG1 3.49Å; A98-T105 HydrophobicContact CB-CG2 3.81Å; N101-T105 VanDerWaalsContact O-CB 3.31Å; N101-T105 WeakPolarHBondContact O-CB 3.34Å; N101-T105 PolarHBondContact O-N 2.96Å; N101-T105 PolarHBondContact O-OG1 2.69Å; T105-Y131 WeakPolarHBondContact O-CD1 3.49Å
106	L	97	Very high	94.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.7	-176.9	-56.8	174.2	0	0	0	109.8	I79 V80 F82 T109 Y131 V143 C145 I155	I79-L106 WeakPolarHBondContact CA-O 3.49Å; V80-L106 PolarHBondContact N-O 3.43Å; V80-L106 WeakPolarHBondContact O-CA 3.27Å; V80-L106 WeakPolarHBondContact O-CB 3.39Å; V80-L106 PolarHBondContact O-N 3.29Å; F82-L106 HydrophobicContact CD2-CD1 4.49Å; F82-L106 HydrophobicContact CE2-CD1 3.9Å; L106-T109 HydrophobicContact CB-CG2 3.93Å; L106-Y131 HydrophobicContact CD2-CD1 3.99Å; L106-Y131 HydrophobicContact CD2-CD2 3.62Å; L106-Y131 HydrophobicContact CD2-CE2 4.25Å; L106-Y131 HydrophobicContact CD2-CG 3.48Å; L106-Y131 VanDerWaalsContact CD2-CG 3.48Å; L106-V143 HydrophobicContact CD1-CG2 3.73Å; L106-V143 HydrophobicContact CD2-CB 3.99Å; L106-V143 HydrophobicContact CD2-CG1 4.37Å; L106-V143 HydrophobicContact CD2-CG2 3.97Å; L106-V143 HydrophobicContact CG-CG2 4.49Å; L106-C145 VanDerWaalsContact CD2-SG 3.58Å; L106-I155 HydrophobicContact CB-CG2 4.35Å; L106-I155 HydrophobicContact CD1-CD1 3.32Å; L106-I155 HydrophobicContact CD1-CG1 3.79Å; L106-I155 HydrophobicContact CD1-CG2 4.32Å
107	Y	96.2	Very high	94.5	Very high	81 Å²	81	47.7 Å²	47.7	32%	0.318	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.8	177.6	60	-89.3	0	0	0	109.8	T109 V129 S130 Y131	Y107-T109 PolarHBondContact O-N 2.78Å; Y107-V129 HydrophobicContact CE2-CG1 4.38Å; Y107-S130 PolarHBondContact OH-N 2.92Å; Y107-Y131 HydrophobicContact CD1-CD1 4.24Å; Y107-Y131 HydrophobicContact CD1-CE1 4.1Å; Y107-Y131 HydrophobicContact CE1-CD1 4.09Å; Y107-Y131 HydrophobicContact CE1-CE1 4.11Å; Y107-Y131 HydrophobicContact CG-CE1 4.39Å; Y107-Y131 WeakPolarHBondContact O-CE1 3.45Å; Y107-Y131 PolarHBondContact O-OH 3.37Å
108	A	94	Very high	94.5	Very high	16 Å²	16	50.9 Å²	50.9	13%	0.132	27%	0.269	C	S	.	.			trans	54.4	22.2	-179.5	0	0	0	0	0	115	T51 K110 R111	T51-A108 HydrophobicContact CG2-CB 3.84Å; A108-K110 PolarHBondContact O-N 3.33Å; A108-K110 VanDerWaalsContact O-N 3.09Å; A108-R111 WeakPolarHBondContact O-CB 3.49Å; A108-R111 WeakPolarHBondContact O-CG 3.3Å; A108-R111 PolarHBondContact O-N 3.46Å
109	T	93.3	Very high	94.4	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.074	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.1	-19.4	-179.1	56.4	0	0	0	0	113.3	L106 Y107 R111 L112 I113 I155	L106-T109 HydrophobicContact CB-CG2 3.93Å; Y107-T109 PolarHBondContact O-N 2.78Å; T109-R111 PolarHBondContact O-N 2.86Å; T109-R111 VanDerWaalsContact O-N 3.15Å; T109-L112 WeakPolarHBondContact O-CB 3.41Å; T109-L112 PolarHBondContact O-N 3.11Å; T109-I113 PolarHBondContact O-N 3.22Å; T109-I155 HydrophobicContact CG2-CB 4.42Å; T109-I155 HydrophobicContact CG2-CG2 3.86Å; T109-I155 WeakPolarHBondContact OG1-CG2 3.1Å
110	K	92.4	Very high	94.5	Very high	16 Å²	16	48.6 Å²	48.6	7%	0.07	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.5	-22.1	169.1	-171.5	171.3	179	-172	0	113	L49 T51 A108 L112 I113 F186 E211	L49-K110 WeakPolarHBondContact O-CD 3.45Å; L49-K110 WeakPolarHBondContact O-CE 3.32Å; L49-K110 PolarHBondContact O-NZ 3.21Å; T51-K110 HydrophobicContact CG2-CB 4.48Å; A108-K110 PolarHBondContact O-N 3.33Å; A108-K110 VanDerWaalsContact O-N 3.09Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-I113 HydrophobicContact CG-CG2 4.42Å; K110-I113 WeakPolarHBondContact O-CG2 3.44Å; K110-F186 HydrophobicContact CG-CZ 4.11Å; K110-E211 IonicContact NZ-OE1 2.62Å; K110-E211 PolarHBondContact NZ-OE1 2.99Å
111	R	93	Very high	94.3	Very high	129 Å²	129	46.2 Å²	46.2	49%	0.487	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-71.3	-27.6	172.7	-64.1	-178	179.6	-169.4	-0.3	112.9	T51 A108 T109 R115 D125	T51-R111 HydrophobicContact CG2-CG 4.06Å; A108-R111 WeakPolarHBondContact O-CB 3.49Å; A108-R111 WeakPolarHBondContact O-CG 3.3Å; A108-R111 PolarHBondContact O-N 3.46Å; T109-R111 PolarHBondContact O-N 2.86Å; T109-R111 VanDerWaalsContact O-N 3.15Å; R111-R115 WeakPolarHBondContact O-CD 3.45Å; R111-R115 PolarHBondContact O-NE 3.38Å; R111-D125 WeakPolarHBondContact CB-OD2 3.26Å; R111-D125 WeakPolarHBondContact CD-OD2 3.36Å; R111-D125 IonicContact NH1-OD1 3.94Å
112	L	93.8	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-19.5	-178.3	-50.7	179.3	0	0	0	112.6	T109 K110 G114 R115 V122 D125 Y131 I133 V143 P152	T109-L112 WeakPolarHBondContact O-CB 3.41Å; T109-L112 PolarHBondContact O-N 3.11Å; K110-L112 VanDerWaalsContact C-N 3.31Å; L112-G114 PolarHBondContact O-N 3.22Å; L112-R115 PolarHBondContact O-N 2.83Å; L112-R115 VanDerWaalsContact O-N 3.11Å; L112-V122 HydrophobicContact CD2-CG1 4.19Å; L112-V122 HydrophobicContact CD2-CG2 4.08Å; L112-D125 HydrophobicContact CD2-CB 4.41Å; L112-Y131 HydrophobicContact CD1-CE2 4.07Å; L112-I133 HydrophobicContact CD1-CD1 3.78Å; L112-I133 HydrophobicContact CD1-CG1 4Å; L112-I133 HydrophobicContact CD2-CD1 3.78Å; L112-I133 HydrophobicContact CG-CD1 4.43Å; L112-V143 HydrophobicContact CD1-CG1 3.78Å; L112-P152 HydrophobicContact CB-CB 4.29Å; L112-P152 HydrophobicContact CB-CG 3.82Å
113	I	92.3	Very high	94.4	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.5	-175.1	-155.1	168.7	0	0	0	111.2	T109 K110 R115 P152 F186 Q190 A193	T109-I113 PolarHBondContact O-N 3.22Å; K110-I113 HydrophobicContact CG-CG2 4.42Å; K110-I113 WeakPolarHBondContact O-CG2 3.44Å; I113-R115 PolarHBondContact O-N 3.4Å; I113-P152 HydrophobicContact CB-CB 4.04Å; I113-P152 HydrophobicContact CG1-CB 4.18Å; I113-F186 HydrophobicContact CG2-CE2 3.74Å; I113-F186 HydrophobicContact CG2-CZ 3.82Å; I113-Q190 WeakPolarHBondContact O-CG 3.37Å; I113-A193 HydrophobicContact CD1-CB 4.34Å; I113-A193 HydrophobicContact CG1-CB 3.71Å
114	G	90.9	Very high	94.5	Very high	19 Å²	19	47.7 Å²	47.7	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	12.7	-179.2	0	0	0	0	0	115.9	L112 S189	L112-G114 PolarHBondContact O-N 3.22Å; G114-S189 PolarHBondContact O-OG 3.2Å
115	R	94.2	Very high	94.3	Very high	59 Å²	59	47.3 Å²	47.3	22%	0.223	22%	0.224	C	C	.	.			trans	-101.8	152.7	178.5	-64.4	-167.7	-176.7	-101.1	3.1	112.9	R111 L112 I113 D119 V122 A141	R111-R115 WeakPolarHBondContact O-CD 3.45Å; R111-R115 PolarHBondContact O-NE 3.38Å; L112-R115 PolarHBondContact O-N 2.83Å; L112-R115 VanDerWaalsContact O-N 3.11Å; I113-R115 PolarHBondContact O-N 3.4Å; R115-D119 WeakPolarHBondContact CD-OD2 3.36Å; R115-D119 IonicContact CZ-OD2 3.42Å; R115-D119 IonicContact NH1-OD1 3.74Å; R115-D119 IonicContact NH1-OD2 3.6Å; R115-D119 PolarHBondContact NH1-OD2 3.16Å; R115-V122 HydrophobicContact CB-CG2 3.7Å; R115-V122 HydrophobicContact CG-CG2 4.41Å; R115-A141 PolarHBondContact O-N 2.76Å
116	R	94.8	Very high	94.2	Very high	130 Å²	130	49.6 Å²	49.6	49%	0.491	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-79.7	149.6	172.5	-55.8	-67.3	-84.7	174.9	-2.8	109.9	D118 D119 N138 D140	R116-D118 PolarHBondContact O-N 3.42Å; R116-D119 WeakPolarHBondContact O-CB 3.33Å; R116-D119 PolarHBondContact O-N 2.9Å; R116-D119 VanDerWaalsContact O-N 3.12Å; R116-N138 PolarHBondContact NH1-O 3.36Å; R116-N138 PolarHBondContact NH2-O 3.35Å; R116-D140 VanDerWaalsContact CD-OD1 3.28Å; R116-D140 WeakPolarHBondContact CD-OD1 3.37Å; R116-D140 IonicContact CZ-OD1 3.79Å; R116-D140 IonicContact NE-OD1 3.92Å; R116-D140 IonicContact NH1-OD1 2.77Å; R116-D140 PolarHBondContact NH1-OD1 3.49Å
117	F	96.5	Very high	94	Very high	37 Å²	37	58.3 Å²	58.3	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.2	176.3	-177.1	-98.1	0	0	0	111.9	D119 Q123 I133 I134 R135 G139	F117-D119 VanDerWaalsContact C-N 3.27Å; F117-D119 PolarHBondContact O-N 3.33Å; F117-Q123 PolarHBondContact O-NE2 3.41Å; F117-I133 HydrophobicContact CD2-CG2 4.06Å; F117-I133 HydrophobicContact CE2-CG2 4.01Å; F117-I134 WeakPolarHBondContact CD2-O 3.44Å; F117-I134 VanDerWaalsContact CE2-C 3.49Å; F117-R135 HydrophobicContact CB-CB 3.94Å; F117-R135 HydrophobicContact CB-CG 3.98Å; F117-R135 HydrophobicContact CD1-CB 3.84Å; F117-R135 HydrophobicContact CD1-CG 4.35Å; F117-R135 HydrophobicContact CD2-CB 4.09Å; F117-R135 HydrophobicContact CE1-CB 4.34Å; F117-R135 HydrophobicContact CG-CB 3.67Å; F117-R135 HydrophobicContact CG-CG 4.21Å; F117-G139 PolarHBondContact N-O 2.89Å
118	D	95	Very high	93.9	Very high	100 Å²	100	60.4 Å²	60.4	54%	0.535	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.5	179.9	-63.9	-43.7	0	0	0	115.1	R116 S120 R135	R116-D118 PolarHBondContact O-N 3.42Å; D118-S120 PolarHBondContact O-N 2.87Å; D118-R135 VanDerWaalsContact CG-NH1 3.34Å; D118-R135 VanDerWaalsContact CG-NH2 3.32Å; D118-R135 IonicContact OD1-CZ 3.42Å; D118-R135 IonicContact OD1-NH1 2.68Å; D118-R135 PolarHBondContact OD1-NH1 2.95Å; D118-R135 IonicContact OD1-NH2 3.29Å; D118-R135 PolarHBondContact OD1-NH2 3.46Å; D118-R135 IonicContact OD2-CZ 3.43Å; D118-R135 IonicContact OD2-NH1 2.83Å; D118-R135 PolarHBondContact OD2-NH1 3.49Å; D118-R135 IonicContact OD2-NH2 2.66Å; D118-R135 PolarHBondContact OD2-NH2 3.29Å
119	D	94	Very high	93.9	Very high	46 Å²	46	60.6 Å²	60.6	25%	0.246	29%	0.291	C	S	.	.			trans	-62.3	131.4	177.9	-173	-21.4	0	0	0	109.7	R115 R116 F117 E121 V122 Q123	R115-D119 WeakPolarHBondContact CD-OD2 3.36Å; R115-D119 IonicContact CZ-OD2 3.42Å; R115-D119 IonicContact NH1-OD1 3.74Å; R115-D119 IonicContact NH1-OD2 3.6Å; R115-D119 PolarHBondContact NH1-OD2 3.16Å; R116-D119 WeakPolarHBondContact O-CB 3.33Å; R116-D119 PolarHBondContact O-N 2.9Å; R116-D119 VanDerWaalsContact O-N 3.12Å; F117-D119 VanDerWaalsContact C-N 3.27Å; F117-D119 PolarHBondContact O-N 3.33Å; D119-E121 PolarHBondContact O-N 3.15Å; D119-E121 VanDerWaalsContact O-N 3.12Å; D119-E121 PolarHBondContact OD1-N 2.98Å; D119-E121 VanDerWaalsContact OD1-N 3.07Å; D119-V122 HydrophobicContact CB-CB 4.34Å; D119-V122 HydrophobicContact CB-CG2 4.05Å; D119-V122 WeakPolarHBondContact O-CA 3.32Å; D119-V122 WeakPolarHBondContact O-CB 3.21Å; D119-V122 PolarHBondContact O-N 2.97Å; D119-Q123 WeakPolarHBondContact O-CG 3.24Å; D119-Q123 PolarHBondContact O-N 2.89Å
120	S	94.7	Very high	94	Very high	74 Å²	74	62.3 Å²	62.3	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-52.4	-34.4	179	64.9	0	0	0	0	113.2	D118 Q123 K124	D118-S120 PolarHBondContact O-N 2.87Å; S120-Q123 PolarHBondContact O-N 3.23Å; S120-K124 WeakPolarHBondContact O-CG 3.21Å; S120-K124 PolarHBondContact O-N 3.01Å
121	E	92.5	Very high	94.1	Very high	78 Å²	78	62 Å²	62	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-70.5	-39	177.4	-67.7	-60.4	123.8	0	0	111.6	D119 K124 D125	D119-E121 PolarHBondContact O-N 3.15Å; D119-E121 VanDerWaalsContact O-N 3.12Å; D119-E121 PolarHBondContact OD1-N 2.98Å; D119-E121 VanDerWaalsContact OD1-N 3.07Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 IonicContact OE1-NZ 2.73Å; E121-K124 PolarHBondContact OE1-NZ 3.15Å; E121-D125 PolarHBondContact O-N 3.44Å
122	V	95.1	Very high	94.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-39.3	175.2	174.5	0	0	0	0	110.9	L112 R115 D119 K124 D125 T126 I133 A141	L112-V122 HydrophobicContact CD2-CG1 4.19Å; L112-V122 HydrophobicContact CD2-CG2 4.08Å; R115-V122 HydrophobicContact CB-CG2 3.7Å; R115-V122 HydrophobicContact CG-CG2 4.41Å; D119-V122 HydrophobicContact CB-CB 4.34Å; D119-V122 HydrophobicContact CB-CG2 4.05Å; D119-V122 WeakPolarHBondContact O-CA 3.32Å; D119-V122 WeakPolarHBondContact O-CB 3.21Å; D119-V122 PolarHBondContact O-N 2.97Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.26Å; V122-D125 PolarHBondContact O-N 3.12Å; V122-T126 WeakPolarHBondContact O-CB 3.32Å; V122-T126 PolarHBondContact O-N 3.22Å; V122-T126 PolarHBondContact O-OG1 3.23Å; V122-I133 HydrophobicContact CG1-CG2 3.99Å; V122-A141 HydrophobicContact CG1-CB 3.74Å; V122-A141 HydrophobicContact CG2-CB 4.05Å
123	Q	96.1	Very high	94.4	Very high	68 Å²	68	61.9 Å²	61.9	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-33.5	176.8	-67.9	-60.8	-46.9	0	0	112.5	F117 D119 S120	F117-Q123 PolarHBondContact O-NE2 3.41Å; D119-Q123 WeakPolarHBondContact O-CG 3.24Å; D119-Q123 PolarHBondContact O-N 2.89Å; S120-Q123 PolarHBondContact O-N 3.23Å
124	K	95.3	Very high	94.6	Very high	110 Å²	110	63.2 Å²	63.2	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-49.7	170.5	-71.2	169.9	-169.8	169.6	0	110.9	S120 E121 V122 T126 K127 I128	S120-K124 WeakPolarHBondContact O-CG 3.21Å; S120-K124 PolarHBondContact O-N 3.01Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 IonicContact OE1-NZ 2.73Å; E121-K124 PolarHBondContact OE1-NZ 3.15Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.26Å; K124-T126 VanDerWaalsContact C-N 3.26Å; K124-T126 PolarHBondContact O-N 3.19Å; K124-K127 WeakPolarHBondContact O-CB 3.36Å; K124-K127 PolarHBondContact O-N 3.39Å; K124-I128 WeakPolarHBondContact O-CG1 3.15Å
125	D	93.5	Very high	94.9	Very high	13 Å²	13	68 Å²	68	7%	0.07	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-38.4	-179.8	-82.5	-14.8	0	0	0	111.3	R111 L112 E121 V122 K127 I128 V129 I133	R111-D125 WeakPolarHBondContact CB-OD2 3.26Å; R111-D125 WeakPolarHBondContact CD-OD2 3.36Å; R111-D125 IonicContact NH1-OD1 3.94Å; L112-D125 HydrophobicContact CD2-CB 4.41Å; E121-D125 PolarHBondContact O-N 3.44Å; V122-D125 PolarHBondContact O-N 3.12Å; D125-K127 PolarHBondContact O-N 2.77Å; D125-K127 VanDerWaalsContact O-N 3.08Å; D125-I128 PolarHBondContact O-N 3.06Å; D125-V129 WeakPolarHBondContact O-CG1 3.4Å; D125-V129 WeakPolarHBondContact O-CG2 3.44Å; D125-V129 PolarHBondContact O-N 3.09Å; D125-I133 HydrophobicContact CB-CD1 4.39Å
126	T	93.4	Very high	95	Very high	50 Å²	50	65.7 Å²	65.7	31%	0.307	32%	0.318	S	S	.	.	H	α-helix	trans	-56	-26.9	176.4	-56.6	0	0	0	0	113.4	V122 K124	V122-T126 WeakPolarHBondContact O-CB 3.32Å; V122-T126 PolarHBondContact O-N 3.22Å; V122-T126 PolarHBondContact O-OG1 3.23Å; K124-T126 VanDerWaalsContact C-N 3.26Å; K124-T126 PolarHBondContact O-N 3.19Å
127	K	93.4	Very high	95	Very high	183 Å²	183	66 Å²	66	80%	0.796	34%	0.34	S	S	*	.	H	α-helix	trans	-87.1	-17.3	177.5	-62.2	176.5	-177	-179.8	0	113.5	K124 D125	K124-K127 WeakPolarHBondContact O-CB 3.36Å; K124-K127 PolarHBondContact O-N 3.39Å; D125-K127 PolarHBondContact O-N 2.77Å; D125-K127 VanDerWaalsContact O-N 3.08Å
128	I	93.4	Very high	94.8	Very high	124 Å²	124	68.1 Å²	68.1	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-104.6	-38.1	-170.9	-62.4	169.2	0	0	0	110.8	K124 D125	K124-I128 WeakPolarHBondContact O-CG1 3.15Å; D125-I128 PolarHBondContact O-N 3.06Å
129	V	94.7	Very high	94.8	Very high	20 Å²	20	63.7 Å²	63.7	12%	0.121	33%	0.331	C	S	.	.			trans	-79.5	151.5	-175.6	-56.7	0	0	0	0	112	Y107 D125 Y131 I133	Y107-V129 HydrophobicContact CE2-CG1 4.38Å; D125-V129 WeakPolarHBondContact O-CG1 3.4Å; D125-V129 WeakPolarHBondContact O-CG2 3.44Å; D125-V129 PolarHBondContact O-N 3.09Å; V129-Y131 HydrophobicContact CB-CD1 4.04Å; V129-Y131 HydrophobicContact CB-CE1 3.68Å; V129-Y131 HydrophobicContact CB-CE2 4.34Å; V129-Y131 HydrophobicContact CG1-CE1 3.97Å; V129-Y131 HydrophobicContact CG2-CD1 4.29Å; V129-Y131 HydrophobicContact CG2-CD2 4.05Å; V129-Y131 HydrophobicContact CG2-CE1 4.07Å; V129-Y131 HydrophobicContact CG2-CE2 3.8Å; V129-Y131 HydrophobicContact CG2-CG 4.28Å; V129-Y131 WeakPolarHBondContact CG2-O 3.4Å; V129-I133 HydrophobicContact CG2-CD1 3.87Å; V129-I133 HydrophobicContact CG2-CG1 4.19Å
130	S	94.6	Very high	94.8	Very high	49 Å²	49	63.5 Å²	63.5	34%	0.343	33%	0.33	S	S	.	.	S	Bend	trans	-82.7	-19.2	-179.8	56.1	0	0	0	0	114.4	A102 Y107	A102-S130 WeakPolarHBondContact O-CB 3.45Å; A102-S130 PolarHBondContact O-OG 3.24Å; Y107-S130 PolarHBondContact OH-N 2.92Å
131	Y	95.8	Very high	94.9	Very high	8 Å²	8	60 Å²	60	3%	0.031	31%	0.306	C	S	.	.	S	Bend	trans	-94.7	159.8	-178.6	59.7	-99.1	0	0	0	111.9	V103 T105 L106 Y107 L112 V129 I133 V143	V103-Y131 WeakPolarHBondContact O-CB 3.34Å; T105-Y131 WeakPolarHBondContact O-CD1 3.49Å; L106-Y131 HydrophobicContact CD2-CD1 3.99Å; L106-Y131 HydrophobicContact CD2-CD2 3.62Å; L106-Y131 HydrophobicContact CD2-CE2 4.25Å; L106-Y131 HydrophobicContact CD2-CG 3.48Å; L106-Y131 VanDerWaalsContact CD2-CG 3.48Å; Y107-Y131 HydrophobicContact CD1-CD1 4.24Å; Y107-Y131 HydrophobicContact CD1-CE1 4.1Å; Y107-Y131 HydrophobicContact CE1-CD1 4.09Å; Y107-Y131 HydrophobicContact CE1-CE1 4.11Å; Y107-Y131 HydrophobicContact CG-CE1 4.39Å; Y107-Y131 WeakPolarHBondContact O-CE1 3.45Å; Y107-Y131 PolarHBondContact O-OH 3.37Å; L112-Y131 HydrophobicContact CD1-CE2 4.07Å; V129-Y131 HydrophobicContact CB-CD1 4.04Å; V129-Y131 HydrophobicContact CB-CE1 3.68Å; V129-Y131 HydrophobicContact CB-CE2 4.34Å; V129-Y131 HydrophobicContact CG1-CE1 3.97Å; V129-Y131 HydrophobicContact CG2-CD1 4.29Å; V129-Y131 HydrophobicContact CG2-CD2 4.05Å; V129-Y131 HydrophobicContact CG2-CE1 4.07Å; V129-Y131 HydrophobicContact CG2-CE2 3.8Å; V129-Y131 HydrophobicContact CG2-CG 4.28Å; V129-Y131 WeakPolarHBondContact CG2-O 3.4Å; Y131-I133 HydrophobicContact CD2-CG1 4.14Å; Y131-I133 HydrophobicContact CE2-CD1 4.17Å; Y131-I133 HydrophobicContact CE2-CG1 3.72Å; Y131-I133 PolarHBondContact O-N 3.15Å; Y131-V143 HydrophobicContact CD2-CB 4.39Å; Y131-V143 HydrophobicContact CD2-CG1 3.91Å; Y131-V143 HydrophobicContact CE2-CG1 3.64Å
132	K	96	Very high	95.1	Very high	116 Å²	116	59.6 Å²	59.6	50%	0.504	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.1	-176.1	-170.5	174.5	170.1	-162.4	0	111.4	I134 V143 E144	K132-I134 HydrophobicContact CD-CG2 4.19Å; K132-I134 HydrophobicContact CG-CG2 3.89Å; K132-V143 WeakPolarHBondContact O-CA 3.3Å; K132-E144 HydrophobicContact CB-CB 4.4Å; K132-E144 HydrophobicContact CD-CB 4.46Å; K132-E144 WeakPolarHBondContact CD-OE2 3.48Å; K132-E144 WeakPolarHBondContact CE-OE2 3.46Å; K132-E144 IonicContact NZ-OE2 2.78Å; K132-E144 PolarHBondContact NZ-OE2 2.81Å; K132-E144 PolarHBondContact O-N 2.71Å
133	I	96.9	Very high	95.2	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.5	168.1	-57.8	175.7	0	0	0	108.1	L112 F117 V122 D125 V129 Y131 A141 W142 V143	L112-I133 HydrophobicContact CD1-CD1 3.78Å; L112-I133 HydrophobicContact CD1-CG1 4Å; L112-I133 HydrophobicContact CD2-CD1 3.78Å; L112-I133 HydrophobicContact CG-CD1 4.43Å; F117-I133 HydrophobicContact CD2-CG2 4.06Å; F117-I133 HydrophobicContact CE2-CG2 4.01Å; V122-I133 HydrophobicContact CG1-CG2 3.99Å; D125-I133 HydrophobicContact CB-CD1 4.39Å; V129-I133 HydrophobicContact CG2-CD1 3.87Å; V129-I133 HydrophobicContact CG2-CG1 4.19Å; Y131-I133 HydrophobicContact CD2-CG1 4.14Å; Y131-I133 HydrophobicContact CE2-CD1 4.17Å; Y131-I133 HydrophobicContact CE2-CG1 3.72Å; Y131-I133 PolarHBondContact O-N 3.15Å; I133-A141 HydrophobicContact CG2-CB 4.37Å; I133-W142 CarbonylContact C-O 3.54Å; I133-W142 WeakPolarHBondContact CA-O 3.34Å; I133-W142 WeakPolarHBondContact CG2-O 3.38Å; I133-V143 HydrophobicContact CG1-CG1 4.48Å
134	I	96.5	Very high	95.2	Very high	32 Å²	32	58.4 Å²	58.4	16%	0.164	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.7	-178.4	63.9	165.5	0	0	0	111.7	F117 K132 W142 E144 V149	F117-I134 WeakPolarHBondContact CD2-O 3.44Å; F117-I134 VanDerWaalsContact CE2-C 3.49Å; K132-I134 HydrophobicContact CD-CG2 4.19Å; K132-I134 HydrophobicContact CG-CG2 3.89Å; I134-W142 HydrophobicContact CG1-CB 4.11Å; I134-W142 PolarHBondContact N-O 2.81Å; I134-W142 PolarHBondContact O-N 3.33Å; I134-E144 HydrophobicContact CD1-CB 4.29Å; I134-E144 HydrophobicContact CG2-CB 4.13Å; I134-V149 HydrophobicContact CD1-CB 4.18Å; I134-V149 HydrophobicContact CD1-CG1 3.67Å; I134-V149 HydrophobicContact CD1-CG2 3.51Å
135	R	97.3	Very high	95.1	Very high	120 Å²	120	53.3 Å²	53.3	45%	0.453	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120	170.2	-174.6	-168.1	-64.1	-81	2.7	109.6	F117 D118	F117-R135 HydrophobicContact CB-CB 3.94Å; F117-R135 HydrophobicContact CB-CG 3.98Å; F117-R135 HydrophobicContact CD1-CB 3.84Å; F117-R135 HydrophobicContact CD1-CG 4.35Å; F117-R135 HydrophobicContact CD2-CB 4.09Å; F117-R135 HydrophobicContact CE1-CB 4.34Å; F117-R135 HydrophobicContact CG-CB 3.67Å; F117-R135 HydrophobicContact CG-CG 4.21Å; D118-R135 VanDerWaalsContact CG-NH1 3.34Å; D118-R135 VanDerWaalsContact CG-NH2 3.32Å; D118-R135 IonicContact OD1-CZ 3.42Å; D118-R135 IonicContact OD1-NH1 2.68Å; D118-R135 PolarHBondContact OD1-NH1 2.95Å; D118-R135 IonicContact OD1-NH2 3.29Å; D118-R135 PolarHBondContact OD1-NH2 3.46Å; D118-R135 IonicContact OD2-CZ 3.43Å; D118-R135 IonicContact OD2-NH1 2.83Å; D118-R135 PolarHBondContact OD2-NH1 3.49Å; D118-R135 IonicContact OD2-NH2 2.66Å; D118-R135 PolarHBondContact OD2-NH2 3.29Å
136	A	95.8	Very high	95	Very high	10 Å²	10	57 Å²	57	8%	0.083	29%	0.29	C	S	.	.			trans	-71.1	164.7	169.3	0	0	0	0	0	111.9	N138 G139 D140 W142	A136-N138 WeakPolarHBondContact CB-OD1 3.46Å; A136-N138 PolarHBondContact O-N 3.12Å; A136-N138 VanDerWaalsContact O-N 3.13Å; A136-G139 PolarHBondContact O-N 2.95Å; A136-D140 HydrophobicContact CB-CB 4.49Å; A136-D140 WeakPolarHBondContact CB-O 3.5Å; A136-D140 PolarHBondContact N-O 2.88Å; A136-W142 HydrophobicContact CB-CB 4.32Å; A136-W142 HydrophobicContact CB-CD2 3.76Å; A136-W142 HydrophobicContact CB-CG 3.65Å; A136-W142 HydrophobicContact CB-CZ2 4.28Å
137	S	93.7	Very high	94.9	Very high	137 Å²	137	57.4 Å²	57.4	96%	0.958	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.4	-179.9	54	0	0	0	0	113.8
138	N	93.3	Very high	94.9	Very high	81 Å²	81	54.5 Å²	54.5	43%	0.433	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.8	176.9	69.8	-9.1	0	0	0	113.7	R116 A136 D140	R116-N138 PolarHBondContact NH1-O 3.36Å; R116-N138 PolarHBondContact NH2-O 3.35Å; A136-N138 WeakPolarHBondContact CB-OD1 3.46Å; A136-N138 PolarHBondContact O-N 3.12Å; A136-N138 VanDerWaalsContact O-N 3.13Å; N138-D140 VanDerWaalsContact ND2-CG 3.35Å; N138-D140 PolarHBondContact ND2-OD2 2.91Å; N138-D140 VanDerWaalsContact OD1-CB 3.3Å; N138-D140 WeakPolarHBondContact OD1-CB 3.5Å; N138-D140 PolarHBondContact OD1-N 3.32Å; N138-D140 PolarHBondContact OD1-OD2 2.88Å
139	G	94.4	Very high	95	Very high	7 Å²	7	51.6 Å²	51.6	7%	0.072	28%	0.279	C	S	.	.	S	Bend	trans	97.3	0.5	-176.5	0	0	0	0	0	115.6	F117 A136	F117-G139 PolarHBondContact N-O 2.89Å; A136-G139 PolarHBondContact O-N 2.95Å
140	D	94.8	Very high	95.1	Very high	42 Å²	42	52.2 Å²	52.2	23%	0.225	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-76.6	157.3	179.3	-64.7	-13	0	0	0	112.6	R116 A136 N138 W142	R116-D140 VanDerWaalsContact CD-OD1 3.28Å; R116-D140 WeakPolarHBondContact CD-OD1 3.37Å; R116-D140 IonicContact CZ-OD1 3.79Å; R116-D140 IonicContact NE-OD1 3.92Å; R116-D140 IonicContact NH1-OD1 2.77Å; R116-D140 PolarHBondContact NH1-OD1 3.49Å; A136-D140 HydrophobicContact CB-CB 4.49Å; A136-D140 WeakPolarHBondContact CB-O 3.5Å; A136-D140 PolarHBondContact N-O 2.88Å; N138-D140 VanDerWaalsContact ND2-CG 3.35Å; N138-D140 PolarHBondContact ND2-OD2 2.91Å; N138-D140 VanDerWaalsContact OD1-CB 3.3Å; N138-D140 WeakPolarHBondContact OD1-CB 3.5Å; N138-D140 PolarHBondContact OD1-N 3.32Å; N138-D140 PolarHBondContact OD1-OD2 2.88Å; D140-W142 PolarHBondContact O-N 3.45Å
141	A	96.4	Very high	95.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.4	176.4	0	0	0	0	0	110.5	R115 V122 I133 P152	R115-A141 PolarHBondContact O-N 2.76Å; V122-A141 HydrophobicContact CG1-CB 3.74Å; V122-A141 HydrophobicContact CG2-CB 4.05Å; I133-A141 HydrophobicContact CG2-CB 4.37Å; A141-P152 VanDerWaalsContact O-CD 3.24Å; A141-P152 WeakPolarHBondContact O-CD 3.49Å; A141-P152 WeakPolarHBondContact O-CG 3.35Å
142	W	97.2	Very high	95.1	Very high	70 Å²	70	50.7 Å²	50.7	27%	0.265	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	171.7	177	-76	36.6	0	0	0	110.3	I133 I134 A136 D140 V149 Y150	I133-W142 CarbonylContact C-O 3.54Å; I133-W142 WeakPolarHBondContact CA-O 3.34Å; I133-W142 WeakPolarHBondContact CG2-O 3.38Å; I134-W142 HydrophobicContact CG1-CB 4.11Å; I134-W142 PolarHBondContact N-O 2.81Å; I134-W142 PolarHBondContact O-N 3.33Å; A136-W142 HydrophobicContact CB-CB 4.32Å; A136-W142 HydrophobicContact CB-CD2 3.76Å; A136-W142 HydrophobicContact CB-CG 3.65Å; A136-W142 HydrophobicContact CB-CZ2 4.28Å; D140-W142 PolarHBondContact O-N 3.45Å; W142-V149 HydrophobicContact CB-CG1 4.45Å; W142-V149 HydrophobicContact CD2-CG1 4.32Å; W142-V149 HydrophobicContact CE3-CG1 3.32Å; W142-V149 HydrophobicContact CZ3-CG1 3.84Å; W142-Y150 WeakPolarHBondContact CB-O 3.45Å
143	V	96.7	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.3	179.3	-60.8	0	0	0	0	110.9	L106 L112 Y131 K132 I133 Y150 I155	L106-V143 HydrophobicContact CD1-CG2 3.73Å; L106-V143 HydrophobicContact CD2-CB 3.99Å; L106-V143 HydrophobicContact CD2-CG1 4.37Å; L106-V143 HydrophobicContact CD2-CG2 3.97Å; L106-V143 HydrophobicContact CG-CG2 4.49Å; L112-V143 HydrophobicContact CD1-CG1 3.78Å; Y131-V143 HydrophobicContact CD2-CB 4.39Å; Y131-V143 HydrophobicContact CD2-CG1 3.91Å; Y131-V143 HydrophobicContact CE2-CG1 3.64Å; K132-V143 WeakPolarHBondContact O-CA 3.3Å; I133-V143 HydrophobicContact CG1-CG1 4.48Å; V143-Y150 PolarHBondContact N-O 2.92Å; V143-Y150 PolarHBondContact O-N 3.1Å; V143-I155 HydrophobicContact CG2-CD1 4.29Å; V143-I155 HydrophobicContact CG2-CG1 3.94Å
144	E	95.1	Very high	95.1	Very high	43 Å²	43	48.4 Å²	48.4	20%	0.201	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.5	178.6	-172.5	-178.2	-167.8	0	0	110.5	K132 I134 K148 V149	K132-E144 HydrophobicContact CB-CB 4.4Å; K132-E144 HydrophobicContact CD-CB 4.46Å; K132-E144 WeakPolarHBondContact CD-OE2 3.48Å; K132-E144 WeakPolarHBondContact CE-OE2 3.46Å; K132-E144 IonicContact NZ-OE2 2.78Å; K132-E144 PolarHBondContact NZ-OE2 2.81Å; K132-E144 PolarHBondContact O-N 2.71Å; I134-E144 HydrophobicContact CD1-CB 4.29Å; I134-E144 HydrophobicContact CG2-CB 4.13Å; E144-K148 CarbonylContact C-O 3.59Å; E144-K148 WeakPolarHBondContact CA-O 3.38Å; E144-V149 HydrophobicContact CG-CG2 4.37Å
145	C	93.3	Very high	95.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129	173.1	-64.2	0	0	0	0	109.1	F82 N104 L106 G147 K148 Y150	F82-C145 HydrophobicContact CD2-CB 3.69Å; F82-C145 HydrophobicContact CE2-CB 4.31Å; F82-C145 HydrophobicContact CG-CB 4.42Å; N104-C145 HydrophobicContact CB-CB 4.34Å; L106-C145 VanDerWaalsContact CD2-SG 3.58Å; C145-G147 PolarHBondContact O-N 2.92Å; C145-K148 PolarHBondContact N-O 3.14Å; C145-K148 WeakPolarHBondContact O-CB 3.36Å; C145-K148 PolarHBondContact O-N 3.31Å; C145-Y150 HydrophobicContact CB-CE2 4.38Å
146	H	91.7	Very high	95.1	Very high	92 Å²	92	41.5 Å²	41.5	43%	0.426	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	40.7	-177.7	-59.9	-64.6	0	0	0	114.3	F82 T83 N104 K148	F82-H146 PolarHBondContact O-NE2 2.83Å; T83-H146 PolarHBondContact O-NE2 2.96Å; N104-H146 VanDerWaalsContact CG-CE1 3.45Å; N104-H146 VanDerWaalsContact CG-NE2 3.3Å; N104-H146 PolarHBondContact ND2-CE1 3.07Å; N104-H146 PolarHBondContact ND2-NE2 2.85Å; N104-H146 PolarHBondContact OD1-N 2.99Å; H146-K148 PolarHBondContact O-N 3.34Å; H146-K148 VanDerWaalsContact O-N 3.15Å
147	G	91	Very high	95.1	Very high	57 Å²	57	41.1 Å²	41.1	59%	0.588	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	-0.5	-177.9	0	0	0	0	0	115.2	C145	C145-G147 PolarHBondContact O-N 2.92Å
148	K	94	Very high	95.3	Very high	122 Å²	122	36 Å²	36	53%	0.53	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.9	174.2	-65	-179.3	-176.8	173.8	0	110	E144 C145 H146 Y150	E144-K148 CarbonylContact C-O 3.59Å; E144-K148 WeakPolarHBondContact CA-O 3.38Å; C145-K148 PolarHBondContact N-O 3.14Å; C145-K148 WeakPolarHBondContact O-CB 3.36Å; C145-K148 PolarHBondContact O-N 3.31Å; H146-K148 PolarHBondContact O-N 3.34Å; H146-K148 VanDerWaalsContact O-N 3.15Å; K148-Y150 HydrophobicContact CB-CE2 3.63Å; K148-Y150 WeakPolarHBondContact CD-OH 3.32Å
149	V	95.3	Very high	95.5	Very high	63 Å²	63	32.3 Å²	32.3	38%	0.382	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.7	-173.1	169.9	0	0	0	0	109.1	I134 W142 E144	I134-V149 HydrophobicContact CD1-CB 4.18Å; I134-V149 HydrophobicContact CD1-CG1 3.67Å; I134-V149 HydrophobicContact CD1-CG2 3.51Å; W142-V149 HydrophobicContact CB-CG1 4.45Å; W142-V149 HydrophobicContact CD2-CG1 4.32Å; W142-V149 HydrophobicContact CE3-CG1 3.32Å; W142-V149 HydrophobicContact CZ3-CG1 3.84Å; E144-V149 HydrophobicContact CG-CG2 4.37Å
150	Y	96.4	Very high	95.6	Very high	34 Å²	34	32 Å²	32	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	-177.3	-60.5	-84	0	0	0	111.1	F82 W142 V143 C145 K148 I155 F158	F82-Y150 HydrophobicContact CD2-CE2 4.36Å; F82-Y150 HydrophobicContact CE1-CE1 4.34Å; F82-Y150 HydrophobicContact CE1-CE2 4.35Å; F82-Y150 AromaticContact CE1-CZ 3.87Å; F82-Y150 HydrophobicContact CE2-CD2 4.08Å; F82-Y150 AromaticContact CE2-CE2 3.76Å; F82-Y150 HydrophobicContact CE2-CE2 3.76Å; F82-Y150 HydrophobicContact CZ-CD1 4.37Å; F82-Y150 HydrophobicContact CZ-CD2 4.24Å; F82-Y150 AromaticContact CZ-CE1 3.9Å; F82-Y150 HydrophobicContact CZ-CE1 3.9Å; F82-Y150 AromaticContact CZ-CE2 3.76Å; F82-Y150 HydrophobicContact CZ-CE2 3.76Å; F82-Y150 AromaticContact CZ-CZ 3.57Å; W142-Y150 WeakPolarHBondContact CB-O 3.45Å; V143-Y150 PolarHBondContact N-O 2.92Å; V143-Y150 PolarHBondContact O-N 3.1Å; C145-Y150 HydrophobicContact CB-CE2 4.38Å; K148-Y150 HydrophobicContact CB-CE2 3.63Å; K148-Y150 WeakPolarHBondContact CD-OH 3.32Å; Y150-I155 HydrophobicContact CD1-CD1 4.42Å; Y150-I155 HydrophobicContact CG-CD1 3.98Å; Y150-F158 HydrophobicContact CD1-CE2 4.22Å; Y150-F158 HydrophobicContact CD1-CZ 4.47Å; Y150-F158 HydrophobicContact CE1-CE2 4.34Å; Y150-F158 HydrophobicContact CE1-CZ 4.39Å
151	S	95.7	Very high	95.7	Very high	18 Å²	18	31.5 Å²	31.5	13%	0.126	17%	0.169	C	C	.	.			trans	-75.8	151.4	169.4	78.2	0	0	0	0	110.5	S153 Q154 I155	S151-S153 PolarHBondContact O-N 3.35Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S151-Q154 WeakPolarHBondContact O-CB 3.48Å; S151-Q154 PolarHBondContact O-N 2.88Å; S151-Q154 WeakPolarHBondContact OG-CG 3.25Å; S151-Q154 PolarHBondContact OG-N 2.93Å; S151-Q154 VanDerWaalsContact OG-N 3.15Å; S151-I155 PolarHBondContact O-N 3.45Å; S151-I155 VanDerWaalsContact O-N 3.15Å
152	P	95.7	Very high	95.7	Very high	7 Å²	7	33 Å²	33	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-30.8	174.6	-25.9	35.5	0	0	0	112.8	L112 I113 A141 I155 G156	L112-P152 HydrophobicContact CB-CB 4.29Å; L112-P152 HydrophobicContact CB-CG 3.82Å; I113-P152 HydrophobicContact CB-CB 4.04Å; I113-P152 HydrophobicContact CG1-CB 4.18Å; A141-P152 VanDerWaalsContact O-CD 3.24Å; A141-P152 WeakPolarHBondContact O-CD 3.49Å; A141-P152 WeakPolarHBondContact O-CG 3.35Å; P152-I155 PolarHBondContact O-N 3.13Å; P152-G156 PolarHBondContact O-N 3.05Å
153	S	96.1	Very high	95.7	Very high	13 Å²	13	29.8 Å²	29.8	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-38.3	173.8	-62	0	0	0	0	112.8	S151 G156 A157 A193 A197	S151-S153 PolarHBondContact O-N 3.35Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S153-G156 PolarHBondContact O-N 3.32Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 2.78Å; S153-A193 WeakPolarHBondContact CB-O 3.41Å; S153-A193 PolarHBondContact OG-O 2.69Å; S153-A197 WeakPolarHBondContact O-CB 3.44Å
154	Q	96	Very high	95.7	Very high	65 Å²	65	31 Å²	31	30%	0.304	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-40.4	173.2	-73.5	172	-44.5	0	0	111.4	S151 A157 F158 I200	S151-Q154 WeakPolarHBondContact O-CB 3.48Å; S151-Q154 PolarHBondContact O-N 2.88Å; S151-Q154 WeakPolarHBondContact OG-CG 3.25Å; S151-Q154 PolarHBondContact OG-N 2.93Å; S151-Q154 VanDerWaalsContact OG-N 3.15Å; Q154-A157 WeakPolarHBondContact O-CB 3.28Å; Q154-A157 PolarHBondContact O-N 3.48Å; Q154-F158 VanDerWaalsContact O-CD2 3.27Å; Q154-F158 WeakPolarHBondContact O-CD2 3.41Å; Q154-F158 WeakPolarHBondContact O-CG 3.36Å; Q154-F158 PolarHBondContact O-N 3.43Å; Q154-F158 VanDerWaalsContact O-N 3.11Å; Q154-I200 HydrophobicContact CG-CD1 4.15Å
155	I	96.8	Very high	95.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-44.9	175.9	-54.9	-51.8	0	0	0	110.9	V80 F82 L106 T109 V143 Y150 S151 P152 A157 F158 V159	V80-I155 HydrophobicContact CB-CG2 4.04Å; V80-I155 HydrophobicContact CG2-CG2 3.78Å; F82-I155 HydrophobicContact CE2-CD1 4.36Å; F82-I155 HydrophobicContact CZ-CD1 4.49Å; L106-I155 HydrophobicContact CB-CG2 4.35Å; L106-I155 HydrophobicContact CD1-CD1 3.32Å; L106-I155 HydrophobicContact CD1-CG1 3.79Å; L106-I155 HydrophobicContact CD1-CG2 4.32Å; T109-I155 HydrophobicContact CG2-CB 4.42Å; T109-I155 HydrophobicContact CG2-CG2 3.86Å; T109-I155 WeakPolarHBondContact OG1-CG2 3.1Å; V143-I155 HydrophobicContact CG2-CD1 4.29Å; V143-I155 HydrophobicContact CG2-CG1 3.94Å; Y150-I155 HydrophobicContact CD1-CD1 4.42Å; Y150-I155 HydrophobicContact CG-CD1 3.98Å; S151-I155 PolarHBondContact O-N 3.45Å; S151-I155 VanDerWaalsContact O-N 3.15Å; P152-I155 PolarHBondContact O-N 3.13Å; I155-A157 VanDerWaalsContact C-N 3.27Å; I155-A157 PolarHBondContact O-N 3.21Å; I155-F158 HydrophobicContact CD1-CD2 4.13Å; I155-F158 HydrophobicContact CD1-CE2 4.05Å; I155-F158 PolarHBondContact O-N 3.41Å; I155-V159 PolarHBondContact O-N 2.83Å
156	G	96.6	Very high	95.9	Very high	7 Å²	7	33.2 Å²	33.2	7%	0.072	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-39.9	172.2	0	0	0	0	0	112.2	P152 S153 F158 V159 L160	P152-G156 PolarHBondContact O-N 3.05Å; S153-G156 PolarHBondContact O-N 3.32Å; G156-F158 VanDerWaalsContact C-N 3.32Å; G156-F158 PolarHBondContact O-N 2.89Å; G156-V159 PolarHBondContact O-N 3.06Å; G156-V159 VanDerWaalsContact O-N 3.16Å; G156-L160 VanDerWaalsContact O-CG 3.32Å; G156-L160 WeakPolarHBondContact O-CG 3.4Å; G156-L160 PolarHBondContact O-N 3.35Å
157	A	97.4	Very high	96.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-35.7	177.8	0	0	0	0	0	112.8	S153 Q154 I155 V159 L160 T161 A197 I200 A201	S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 2.78Å; Q154-A157 WeakPolarHBondContact O-CB 3.28Å; Q154-A157 PolarHBondContact O-N 3.48Å; I155-A157 VanDerWaalsContact C-N 3.27Å; I155-A157 PolarHBondContact O-N 3.21Å; A157-V159 VanDerWaalsContact C-N 3.34Å; A157-L160 PolarHBondContact O-N 2.85Å; A157-T161 WeakPolarHBondContact O-CB 3.32Å; A157-T161 PolarHBondContact O-N 3.18Å; A157-T161 PolarHBondContact O-OG1 3.16Å; A157-A197 WeakPolarHBondContact CB-O 3.42Å; A157-I200 HydrophobicContact CB-CB 3.63Å; A157-I200 HydrophobicContact CB-CG2 3.44Å; A157-I200 VanDerWaalsContact CB-CG2 3.44Å; A157-A201 HydrophobicContact CB-CB 4.31Å
158	F	97.2	Very high	96.4	Very high	29 Å²	29	28.3 Å²	28.3	13%	0.127	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-38.5	175	-58.8	-39.3	0	0	0	112.2	V80 F82 R88 V90 Y150 Q154 I155 G156 T161 K162	V80-F158 HydrophobicContact CG1-CB 4.45Å; V80-F158 HydrophobicContact CG1-CD2 4Å; V80-F158 HydrophobicContact CG2-CB 4.05Å; F82-F158 HydrophobicContact CZ-CD2 4.44Å; F82-F158 AromaticContact CZ-CE2 3.91Å; F82-F158 HydrophobicContact CZ-CE2 3.91Å; R88-F158 VanDerWaalsContact CD-CG 3.49Å; R88-F158 VanDerWaalsContact CZ-CD1 3.43Å; R88-F158 VanDerWaalsContact NH1-CD1 3.26Å; V90-F158 HydrophobicContact CG2-CB 4.11Å; Y150-F158 HydrophobicContact CD1-CE2 4.22Å; Y150-F158 HydrophobicContact CD1-CZ 4.47Å; Y150-F158 HydrophobicContact CE1-CE2 4.34Å; Y150-F158 HydrophobicContact CE1-CZ 4.39Å; Q154-F158 VanDerWaalsContact O-CD2 3.27Å; Q154-F158 WeakPolarHBondContact O-CD2 3.41Å; Q154-F158 WeakPolarHBondContact O-CG 3.36Å; Q154-F158 PolarHBondContact O-N 3.43Å; Q154-F158 VanDerWaalsContact O-N 3.11Å; I155-F158 HydrophobicContact CD1-CD2 4.13Å; I155-F158 HydrophobicContact CD1-CE2 4.05Å; I155-F158 PolarHBondContact O-N 3.41Å; G156-F158 VanDerWaalsContact C-N 3.32Å; G156-F158 PolarHBondContact O-N 2.89Å; F158-T161 PolarHBondContact O-N 2.77Å; F158-K162 PolarHBondContact O-N 2.91Å
159	V	97.3	Very high	96.5	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-46	172.9	-178.5	0	0	0	0	110.6	L49 S54 V80 V90 I155 G156 A157 T161 K162 M163	L49-V159 HydrophobicContact CD1-CB 4.21Å; L49-V159 HydrophobicContact CD1-CG1 3.97Å; S54-V159 WeakPolarHBondContact OG-CG1 3.27Å; V80-V159 HydrophobicContact CG2-CG2 3.85Å; V90-V159 HydrophobicContact CG1-CG2 4.35Å; I155-V159 PolarHBondContact O-N 2.83Å; G156-V159 PolarHBondContact O-N 3.06Å; G156-V159 VanDerWaalsContact O-N 3.16Å; A157-V159 VanDerWaalsContact C-N 3.34Å; V159-T161 VanDerWaalsContact C-N 3.28Å; V159-T161 PolarHBondContact O-N 3.31Å; V159-K162 PolarHBondContact O-N 3.33Å; V159-M163 HydrophobicContact CG1-CE 4.39Å; V159-M163 WeakPolarHBondContact O-CG 3.46Å; V159-M163 PolarHBondContact O-N 2.93Å
160	L	97.6	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-35	177.1	-67.9	174	0	0	0	112.6	I47 L49 G156 A157 M163 K164 I180 A197 A201 L203	I47-L160 HydrophobicContact CB-CD2 4.36Å; I47-L160 HydrophobicContact CD1-CD2 3.86Å; I47-L160 HydrophobicContact CG2-CD2 3.7Å; L49-L160 HydrophobicContact CB-CD2 4.35Å; L49-L160 HydrophobicContact CD1-CD2 4.07Å; L49-L160 HydrophobicContact CD1-CG 4.26Å; L49-L160 HydrophobicContact CD2-CD1 4.35Å; L49-L160 HydrophobicContact CD2-CD2 4.27Å; L49-L160 HydrophobicContact CD2-CG 4.35Å; L49-L160 HydrophobicContact CG-CD2 4.46Å; G156-L160 VanDerWaalsContact O-CG 3.32Å; G156-L160 WeakPolarHBondContact O-CG 3.4Å; G156-L160 PolarHBondContact O-N 3.35Å; A157-L160 PolarHBondContact O-N 2.85Å; L160-M163 PolarHBondContact O-N 3.05Å; L160-K164 WeakPolarHBondContact O-CB 3.37Å; L160-K164 PolarHBondContact O-N 3.31Å; L160-I180 HydrophobicContact CD1-CD1 3.89Å; L160-I180 HydrophobicContact CD2-CD1 4.1Å; L160-A197 HydrophobicContact CD1-CB 3.9Å; L160-A201 HydrophobicContact CB-CB 3.7Å; L160-L203 HydrophobicContact CB-CD1 4.47Å
161	T	97.1	Very high	96.3	Very high	32 Å²	32	30.6 Å²	30.6	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-45.1	175.3	-57	0	0	0	0	110.4	A157 F158 V159 M163 K164 E165	A157-T161 WeakPolarHBondContact O-CB 3.32Å; A157-T161 PolarHBondContact O-N 3.18Å; A157-T161 PolarHBondContact O-OG1 3.16Å; F158-T161 PolarHBondContact O-N 2.77Å; V159-T161 VanDerWaalsContact C-N 3.28Å; V159-T161 PolarHBondContact O-N 3.31Å; T161-M163 VanDerWaalsContact C-N 3.29Å; T161-M163 PolarHBondContact O-N 3.24Å; T161-K164 WeakPolarHBondContact O-CB 3.22Å; T161-K164 PolarHBondContact O-N 3.11Å; T161-E165 WeakPolarHBondContact O-CG 3.11Å; T161-E165 PolarHBondContact O-N 2.84Å
162	K	96.3	Very high	96.2	Very high	34 Å²	34	33 Å²	33	15%	0.148	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-35.8	174.4	-176.3	69.7	173.7	-171.1	0	112.2	E71 T76 V90 F158 V159 T166	E71-K162 IonicContact OE1-NZ 3.7Å; E71-K162 PolarHBondContact OE1-NZ 3.06Å; E71-K162 IonicContact OE2-NZ 2.61Å; T76-K162 HydrophobicContact CG2-CG 4.31Å; V90-K162 HydrophobicContact CG1-CB 3.95Å; V90-K162 HydrophobicContact CG1-CG 4.35Å; F158-K162 PolarHBondContact O-N 2.91Å; V159-K162 PolarHBondContact O-N 3.33Å; K162-T166 WeakPolarHBondContact O-CB 3.48Å; K162-T166 PolarHBondContact O-N 3.27Å; K162-T166 PolarHBondContact O-OG1 3.28Å
163	M	97.2	Very high	96.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-68.7	-40.1	176.2	-64.3	-46.5	100.8	0	0	111.3	I47 V56 T76 V159 L160 T161 T166 A167	I47-M163 HydrophobicContact CD1-CB 4.09Å; I47-M163 HydrophobicContact CG1-CB 4.3Å; I47-M163 HydrophobicContact CG2-CB 4.24Å; I47-M163 HydrophobicContact CG2-CG 3.92Å; V56-M163 HydrophobicContact CB-CB 4.19Å; V56-M163 HydrophobicContact CB-SD 4.41Å; V56-M163 HydrophobicContact CG1-SD 4.36Å; T76-M163 HydrophobicContact CG2-CE 3.55Å; T76-M163 WeakPolarHBondContact OG1-CE 3.32Å; V159-M163 HydrophobicContact CG1-CE 4.39Å; V159-M163 WeakPolarHBondContact O-CG 3.46Å; V159-M163 PolarHBondContact O-N 2.93Å; L160-M163 PolarHBondContact O-N 3.05Å; T161-M163 VanDerWaalsContact C-N 3.29Å; T161-M163 PolarHBondContact O-N 3.24Å; M163-T166 WeakPolarHBondContact O-CB 3.33Å; M163-T166 PolarHBondContact O-N 3.24Å; M163-A167 PolarHBondContact O-N 2.73Å
164	K	96.7	Very high	96	Very high	26 Å²	26	43.9 Å²	43.9	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-51.3	173.8	173.9	-176.2	170.3	173.6	0	111.1	L160 T161 T166 A167 E168 V175 G202 L203	L160-K164 WeakPolarHBondContact O-CB 3.37Å; L160-K164 PolarHBondContact O-N 3.31Å; T161-K164 WeakPolarHBondContact O-CB 3.22Å; T161-K164 PolarHBondContact O-N 3.11Å; K164-T166 VanDerWaalsContact C-N 3.25Å; K164-T166 PolarHBondContact O-N 2.77Å; K164-A167 PolarHBondContact O-N 3.07Å; K164-E168 WeakPolarHBondContact CE-OE1 3.39Å; K164-E168 HydrophobicContact CG-CG 4.24Å; K164-E168 WeakPolarHBondContact O-CG 3.1Å; K164-E168 PolarHBondContact O-N 3Å; K164-V175 VanDerWaalsContact CE-O 3.25Å; K164-V175 WeakPolarHBondContact CE-O 3.36Å; K164-G202 PolarHBondContact NZ-O 2.96Å; K164-G202 VanDerWaalsContact NZ-O 3.1Å; K164-L203 HydrophobicContact CB-CD1 4.48Å; K164-L203 HydrophobicContact CB-CD2 4.23Å; K164-L203 HydrophobicContact CD-CD2 3.82Å; K164-L203 HydrophobicContact CD-CG 4.21Å; K164-L203 HydrophobicContact CG-CD2 4.03Å
165	E	96.1	Very high	95.9	Very high	87 Å²	87	40.8 Å²	40.8	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-55.9	-41.9	176.5	-72	167.5	-176.5	0	0	111.4	T161 A167 E168 N169	T161-E165 WeakPolarHBondContact O-CG 3.11Å; T161-E165 PolarHBondContact O-N 2.84Å; E165-A167 VanDerWaalsContact C-N 3.34Å; E165-A167 PolarHBondContact O-N 2.98Å; E165-E168 PolarHBondContact O-N 2.83Å; E165-N169 WeakPolarHBondContact O-CB 3.21Å; E165-N169 PolarHBondContact O-N 3.09Å; E165-N169 PolarHBondContact O-ND2 2.96Å
166	T	96.5	Very high	95.8	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-44.9	175.6	-61.8	0	0	0	0	111.6	V56 I67 E68 N69 K162 M163 K164 Y170	V56-T166 HydrophobicContact CG1-CG2 3.8Å; I67-T166 HydrophobicContact CB-CG2 4.29Å; I67-T166 HydrophobicContact CG2-CG2 3.64Å; E68-T166 WeakPolarHBondContact O-CG2 3.27Å; N69-T166 HydrophobicContact CB-CG2 4.24Å; K162-T166 WeakPolarHBondContact O-CB 3.48Å; K162-T166 PolarHBondContact O-N 3.27Å; K162-T166 PolarHBondContact O-OG1 3.28Å; M163-T166 WeakPolarHBondContact O-CB 3.33Å; M163-T166 PolarHBondContact O-N 3.24Å; K164-T166 VanDerWaalsContact C-N 3.25Å; K164-T166 PolarHBondContact O-N 2.77Å; T166-Y170 PolarHBondContact O-N 2.61Å
167	A	96.3	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-37.4	177.6	0	0	0	0	0	113.3	I45 V56 I67 M163 K164 E165 Y170 L171 V175	I45-A167 HydrophobicContact CD1-CB 4.22Å; I45-A167 HydrophobicContact CG2-CB 3.62Å; V56-A167 HydrophobicContact CG2-CB 4.18Å; I67-A167 HydrophobicContact CD1-CB 4.12Å; M163-A167 PolarHBondContact O-N 2.73Å; K164-A167 PolarHBondContact O-N 3.07Å; E165-A167 VanDerWaalsContact C-N 3.34Å; E165-A167 PolarHBondContact O-N 2.98Å; A167-Y170 PolarHBondContact O-N 3.14Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.1Å; A167-L171 PolarHBondContact O-N 2.98Å; A167-V175 HydrophobicContact CB-CG2 4.23Å
168	E	96.1	Very high	95.8	Very high	45 Å²	45	43.7 Å²	43.7	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-43.2	176.2	-71.9	-178	151.6	0	0	111.3	K164 E165 Y170 L171 G172 K174 V175	K164-E168 WeakPolarHBondContact CE-OE1 3.39Å; K164-E168 HydrophobicContact CG-CG 4.24Å; K164-E168 WeakPolarHBondContact O-CG 3.1Å; K164-E168 PolarHBondContact O-N 3Å; E165-E168 PolarHBondContact O-N 2.83Å; E168-Y170 VanDerWaalsContact C-N 3.29Å; E168-Y170 PolarHBondContact O-N 3.02Å; E168-L171 PolarHBondContact O-N 2.74Å; E168-G172 WeakPolarHBondContact O-CA 3.47Å; E168-G172 PolarHBondContact O-N 3.29Å; E168-K174 WeakPolarHBondContact OE1-CA 3.31Å; E168-K174 WeakPolarHBondContact OE1-CG 3.42Å; E168-V175 HydrophobicContact CG-CB 3.82Å; E168-V175 HydrophobicContact CG-CG2 3.74Å; E168-V175 PolarHBondContact OE1-N 2.85Å
169	N	95.4	Very high	95.8	Very high	125 Å²	125	44.2 Å²	44.2	67%	0.668	24%	0.242	S	C	*	.	H	α-helix	trans	-61.4	-38.5	175.5	-70.9	-21.4	0	0	0	112	E165	E165-N169 WeakPolarHBondContact O-CB 3.21Å; E165-N169 PolarHBondContact O-N 3.09Å; E165-N169 PolarHBondContact O-ND2 2.96Å
170	Y	94.8	Very high	95.8	Very high	87 Å²	87	44 Å²	44	34%	0.341	24%	0.241	S	C	.	.	H	α-helix	trans	-72.7	-43.3	178.4	-177.9	-95.7	0	0	0	113.1	V58 E60 K65 I67 T166 A167 E168	V58-Y170 HydrophobicContact CG2-CD1 4.13Å; V58-Y170 HydrophobicContact CG2-CE1 3.91Å; E60-Y170 VanDerWaalsContact OE1-CE1 3.23Å; E60-Y170 WeakPolarHBondContact OE1-CE1 3.14Å; E60-Y170 VanDerWaalsContact OE1-CZ 3.26Å; E60-Y170 PolarHBondContact OE1-OH 2.78Å; K65-Y170 WeakPolarHBondContact CD-OH 3.49Å; K65-Y170 VanDerWaalsContact CE-OH 3.26Å; K65-Y170 WeakPolarHBondContact CE-OH 3.48Å; K65-Y170 PolarHBondContact NZ-OH 2.82Å; I67-Y170 HydrophobicContact CD1-CD1 3.65Å; I67-Y170 HydrophobicContact CD1-CE1 4.46Å; I67-Y170 HydrophobicContact CD1-CG 3.83Å; I67-Y170 HydrophobicContact CG1-CD1 3.98Å; I67-Y170 HydrophobicContact CG1-CD2 4.44Å; I67-Y170 HydrophobicContact CG1-CE1 4.47Å; I67-Y170 HydrophobicContact CG1-CG 3.99Å; I67-Y170 HydrophobicContact CG2-CD2 3.92Å; I67-Y170 HydrophobicContact CG2-CG 3.78Å; T166-Y170 PolarHBondContact O-N 2.61Å; A167-Y170 PolarHBondContact O-N 3.14Å; E168-Y170 VanDerWaalsContact C-N 3.29Å; E168-Y170 PolarHBondContact O-N 3.02Å
171	L	93.6	Very high	95.8	Very high	55 Å²	55	44.7 Å²	44.7	29%	0.288	25%	0.245	S	C	.	.	H	α-helix	trans	-83	-16.3	-177.2	-66.9	172.9	0	0	0	113.5	A43 V58 A167 E168 T173 V175	A43-L171 HydrophobicContact CB-CD1 3.66Å; V58-L171 HydrophobicContact CG1-CD1 4Å; V58-L171 HydrophobicContact CG1-CD2 4.28Å; V58-L171 HydrophobicContact CG1-CG 4.31Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.1Å; A167-L171 PolarHBondContact O-N 2.98Å; E168-L171 PolarHBondContact O-N 2.74Å; L171-T173 PolarHBondContact O-N 3.22Å; L171-V175 HydrophobicContact CD1-CG2 3.72Å
172	G	93.5	Very high	95.7	Very high	68 Å²	68	43.1 Å²	43.1	70%	0.701	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	15.1	-173.7	0	0	0	0	0	114	E168	E168-G172 WeakPolarHBondContact O-CA 3.47Å; E168-G172 PolarHBondContact O-N 3.29Å
173	T	93.4	Very high	95.6	Very high	87 Å²	87	41.8 Å²	41.8	53%	0.534	23%	0.23	S	C	.	.	S	Bend	trans	-141.7	157.5	-176.4	59	0	0	0	0	111.1	L171 V175	L171-T173 PolarHBondContact O-N 3.22Å; T173-V175 PolarHBondContact O-N 3.1Å
174	K	94	Very high	95.3	Very high	162 Å²	162	44.1 Å²	44.1	70%	0.704	25%	0.249	S	C	*	.			trans	-66.7	130.5	179.2	-173.2	178.3	-179	177.4	0	111.3	E168	E168-K174 WeakPolarHBondContact OE1-CA 3.31Å; E168-K174 WeakPolarHBondContact OE1-CG 3.42Å
175	V	94.9	Very high	95	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.			trans	-101.8	120.9	177.5	177.1	0	0	0	0	109.4	I45 K164 A167 E168 L171 T173 L203	I45-V175 HydrophobicContact CB-CG1 4.31Å; I45-V175 HydrophobicContact CD1-CG1 3.74Å; I45-V175 HydrophobicContact CG1-CG1 3.74Å; I45-V175 HydrophobicContact CG2-CG1 3.65Å; I45-V175 HydrophobicContact CG2-CG2 4.21Å; K164-V175 VanDerWaalsContact CE-O 3.25Å; K164-V175 WeakPolarHBondContact CE-O 3.36Å; A167-V175 HydrophobicContact CB-CG2 4.23Å; E168-V175 HydrophobicContact CG-CB 3.82Å; E168-V175 HydrophobicContact CG-CG2 3.74Å; E168-V175 PolarHBondContact OE1-N 2.85Å; L171-V175 HydrophobicContact CD1-CG2 3.72Å; T173-V175 PolarHBondContact O-N 3.1Å; V175-L203 HydrophobicContact CG1-CD2 4.31Å
176	S	94.8	Very high	94.7	Very high	54 Å²	54	47.6 Å²	47.6	38%	0.378	26%	0.26	S	S	.	.			trans	-114.9	-18.7	-178.5	-57	0	0	0	0	113.6	N204	S176-N204 WeakPolarHBondContact O-CB 3.28Å; S176-N204 PolarHBondContact O-N 2.96Å
177	N	96.5	Very high	94.5	Very high	16 Å²	16	51.4 Å²	51.4	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.4	-173.4	-61.5	-54.3	0	0	0	111	V40 R41 V44 I45 N204 L206	V40-N177 HydrophobicContact CG1-CB 4.28Å; V40-N177 WeakPolarHBondContact CG1-ND2 3.49Å; R41-N177 PolarHBondContact O-ND2 3.35Å; V44-N177 WeakPolarHBondContact CA-O 3.5Å; V44-N177 HydrophobicContact CB-CB 4.47Å; V44-N177 HydrophobicContact CG1-CB 4.48Å; V44-N177 HydrophobicContact CG2-CB 3.94Å; I45-N177 PolarHBondContact N-O 2.81Å; I45-N177 VanDerWaalsContact N-O 3.1Å; N177-N204 WeakPolarHBondContact CA-O 3.48Å; N177-N204 PolarHBondContact OD1-ND2 3.16Å; N177-L206 HydrophobicContact CB-CD1 3.86Å; N177-L206 HydrophobicContact CB-CG 4.19Å
178	A	97.3	Very high	94.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.9	178.8	0	0	0	0	0	113.2	I45 I47 I180 L203 N204 V205 L206	I45-A178 HydrophobicContact CD1-CB 4.44Å; I45-A178 HydrophobicContact CG1-CB 3.82Å; I45-A178 CarbonylContact O-C 3.57Å; I45-A178 VanDerWaalsContact O-CA 3.28Å; I45-A178 WeakPolarHBondContact O-CA 3.32Å; I47-A178 HydrophobicContact CD1-CB 4.25Å; A178-I180 HydrophobicContact CB-CG1 4.38Å; A178-L203 HydrophobicContact CB-CB 4.15Å; A178-L203 HydrophobicContact CB-CD1 3.97Å; A178-L203 HydrophobicContact CB-CD2 4.19Å; A178-L203 HydrophobicContact CB-CG 4.34Å; A178-N204 PolarHBondContact N-O 3.04Å; A178-V205 WeakPolarHBondContact O-CA 3.37Å; A178-L206 PolarHBondContact O-N 3.34Å
179	V	96.9	Very high	94	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126	162.8	176.1	0	0	0	0	107.2	V44 I45 I47 R207 I209	V44-V179 HydrophobicContact CG1-CG2 3.98Å; I45-V179 PolarHBondContact O-N 3.3Å; I47-V179 PolarHBondContact N-O 3.04Å; V179-R207 WeakPolarHBondContact CA-O 3.39Å; V179-R207 HydrophobicContact CG1-CB 4.4Å; V179-R207 HydrophobicContact CG2-CB 4.36Å; V179-I209 HydrophobicContact CG1-CB 4.35Å; V179-I209 HydrophobicContact CG1-CG2 3.88Å
180	I	97.4	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.8	-175.5	-55.8	177.7	0	0	0	109.7	I47 L49 L160 A178 T194 V205 R207 V208 I209	I47-I180 WeakPolarHBondContact O-CA 3.38Å; L49-I180 HydrophobicContact CB-CG2 4.06Å; L160-I180 HydrophobicContact CD1-CD1 3.89Å; L160-I180 HydrophobicContact CD2-CD1 4.1Å; A178-I180 HydrophobicContact CB-CG1 4.38Å; I180-T194 HydrophobicContact CG2-CG2 3.78Å; I180-V205 HydrophobicContact CD1-CG1 4.23Å; I180-V205 HydrophobicContact CD1-CG2 3.7Å; I180-V205 HydrophobicContact CG1-CG1 4.33Å; I180-R207 PolarHBondContact N-O 2.96Å; I180-R207 VanDerWaalsContact N-O 3.14Å; I180-V208 VanDerWaalsContact O-CA 3.32Å; I180-V208 WeakPolarHBondContact O-CA 3.32Å; I180-I209 PolarHBondContact O-N 3.29Å
181	T	97	Very high	93.9	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	148.8	177.3	67.6	0	0	0	0	112.4	I47 D48 L49 I209 A214	I47-T181 PolarHBondContact O-N 2.95Å; D48-T181 VanDerWaalsContact CA-OG1 3.28Å; D48-T181 WeakPolarHBondContact CA-OG1 3.2Å; D48-T181 HydrophobicContact CB-CG2 4.33Å; D48-T181 PolarHBondContact OD1-OG1 2.86Å; L49-T181 PolarHBondContact N-OG1 2.94Å; T181-I209 CarbonylContact C-O 3.6Å; T181-I209 VanDerWaalsContact CA-O 3.3Å; T181-I209 WeakPolarHBondContact CA-O 3.37Å; T181-I209 HydrophobicContact CG2-CG2 4Å; T181-A214 HydrophobicContact CG2-CB 4.22Å
182	V	95.2	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.8	168.6	-66.9	0	0	0	0	110.7	F186 R191 T194 V208 I209 N210 E211	V182-F186 HydrophobicContact CB-CB 4.46Å; V182-F186 HydrophobicContact CB-CD2 3.83Å; V182-F186 HydrophobicContact CB-CE2 4.46Å; V182-F186 HydrophobicContact CB-CG 4.32Å; V182-F186 HydrophobicContact CG1-CD2 3.98Å; V182-F186 HydrophobicContact CG1-CE2 4.39Å; V182-R191 HydrophobicContact CG2-CG 4.29Å; V182-R191 VanDerWaalsContact CG2-NH1 3.34Å; V182-T194 HydrophobicContact CG1-CG2 3.71Å; V182-V208 HydrophobicContact CB-CG1 4.09Å; V182-V208 HydrophobicContact CG1-CG1 3.56Å; V182-V208 HydrophobicContact CG2-CG1 3.4Å; V182-I209 PolarHBondContact N-O 2.87Å; V182-N210 CarbonylContact O-C 3.54Å; V182-N210 WeakPolarHBondContact O-CA 3.39Å; V182-E211 WeakPolarHBondContact O-CG 3.33Å; V182-E211 PolarHBondContact O-N 3.47Å
183	P	93.6	Very high	93.9	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.032	27%	0.266	C	S	.	.			trans	-59.9	144.8	173.3	-23.2	34.8	0	0	0	111.2	Y185 F186 E211	P183-Y185 HydrophobicContact CB-CD1 3.86Å; P183-Y185 HydrophobicContact CB-CD2 4.43Å; P183-Y185 HydrophobicContact CB-CE1 3.42Å; P183-Y185 VanDerWaalsContact CB-CE1 3.42Å; P183-Y185 HydrophobicContact CB-CE2 4.04Å; P183-Y185 HydrophobicContact CB-CG 4.34Å; P183-Y185 HydrophobicContact CG-CE1 4.38Å; P183-Y185 PolarHBondContact O-N 3.38Å; P183-F186 HydrophobicContact CB-CD1 3.81Å; P183-F186 HydrophobicContact CB-CE1 4.12Å; P183-F186 HydrophobicContact CB-CG 4.42Å; P183-F186 HydrophobicContact CG-CD1 3.71Å; P183-F186 HydrophobicContact CG-CE1 3.54Å; P183-F186 HydrophobicContact CG-CG 4.33Å; P183-F186 HydrophobicContact CG-CZ 4.01Å; P183-F186 WeakPolarHBondContact O-CB 3.45Å; P183-F186 PolarHBondContact O-N 3.37Å; P183-E211 WeakPolarHBondContact CD-OE1 3.38Å; P183-E211 WeakPolarHBondContact CG-OE1 3.39Å
184	A	91.5	Very high	94	Very high	50 Å²	50	46.5 Å²	46.5	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.1	-177.3	0	0	0	0	0	113.2	F186 R191 N210 P212	A184-F186 VanDerWaalsContact C-N 3.27Å; A184-F186 PolarHBondContact O-N 3.01Å; A184-R191 PolarHBondContact O-NH2 3.04Å; A184-N210 HydrophobicContact CB-CB 4.37Å; A184-P212 HydrophobicContact CB-CG 3.83Å
185	Y	90.9	Very high	94.1	Very high	174 Å²	174	42.6 Å²	42.6	68%	0.682	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	0.7	179.5	61.8	-98.2	0	0	0	114.1	P183 N187	P183-Y185 HydrophobicContact CB-CD1 3.86Å; P183-Y185 HydrophobicContact CB-CD2 4.43Å; P183-Y185 HydrophobicContact CB-CE1 3.42Å; P183-Y185 VanDerWaalsContact CB-CE1 3.42Å; P183-Y185 HydrophobicContact CB-CE2 4.04Å; P183-Y185 HydrophobicContact CB-CG 4.34Å; P183-Y185 HydrophobicContact CG-CE1 4.38Å; P183-Y185 PolarHBondContact O-N 3.38Å; Y185-N187 PolarHBondContact O-N 3.48Å
186	F	89.6	Confident	94.1	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.053	24%	0.238	C	C	.	.			trans	-64.6	129.4	175.1	-92.7	24.7	0	0	0	111	K110 I113 V182 P183 A184 Q190 R191	K110-F186 HydrophobicContact CG-CZ 4.11Å; I113-F186 HydrophobicContact CG2-CE2 3.74Å; I113-F186 HydrophobicContact CG2-CZ 3.82Å; V182-F186 HydrophobicContact CB-CB 4.46Å; V182-F186 HydrophobicContact CB-CD2 3.83Å; V182-F186 HydrophobicContact CB-CE2 4.46Å; V182-F186 HydrophobicContact CB-CG 4.32Å; V182-F186 HydrophobicContact CG1-CD2 3.98Å; V182-F186 HydrophobicContact CG1-CE2 4.39Å; P183-F186 HydrophobicContact CB-CD1 3.81Å; P183-F186 HydrophobicContact CB-CE1 4.12Å; P183-F186 HydrophobicContact CB-CG 4.42Å; P183-F186 HydrophobicContact CG-CD1 3.71Å; P183-F186 HydrophobicContact CG-CE1 3.54Å; P183-F186 HydrophobicContact CG-CG 4.33Å; P183-F186 HydrophobicContact CG-CZ 4.01Å; P183-F186 WeakPolarHBondContact O-CB 3.45Å; P183-F186 PolarHBondContact O-N 3.37Å; A184-F186 VanDerWaalsContact C-N 3.27Å; A184-F186 PolarHBondContact O-N 3.01Å; F186-Q190 HydrophobicContact CB-CB 4.03Å; F186-Q190 HydrophobicContact CD1-CB 4.34Å; F186-Q190 HydrophobicContact CD2-CB 3.4Å; F186-Q190 VanDerWaalsContact CD2-CB 3.4Å; F186-Q190 HydrophobicContact CE2-CB 3.82Å; F186-Q190 HydrophobicContact CG-CB 3.69Å; F186-Q190 HydrophobicContact CZ-CB 4.43Å; F186-R191 HydrophobicContact CB-CG 4.18Å; F186-R191 PolarHBondContact O-NE 3.49Å
187	N	91.6	Very high	94.2	Very high	85 Å²	85	42.6 Å²	42.6	46%	0.455	22%	0.22	S	C	.	.			trans	-76.4	174.9	173	69.8	41.3	0	0	0	111.6	Y185 S189 Q190 R191	Y185-N187 PolarHBondContact O-N 3.48Å; N187-S189 VanDerWaalsContact C-N 3.32Å; N187-S189 PolarHBondContact O-N 3.19Å; N187-S189 WeakPolarHBondContact OD1-CA 3.3Å; N187-S189 VanDerWaalsContact OD1-CB 3.32Å; N187-S189 WeakPolarHBondContact OD1-CB 3.37Å; N187-S189 PolarHBondContact OD1-N 3.01Å; N187-Q190 VanDerWaalsContact N-OE1 3.12Å; N187-Q190 PolarHBondContact O-N 3.34Å; N187-Q190 WeakPolarHBondContact OD1-CG 3.44Å; N187-Q190 PolarHBondContact OD1-N 3.02Å; N187-R191 WeakPolarHBondContact O-CG 3.26Å; N187-R191 PolarHBondContact O-N 2.87Å
188	D	91.2	Very high	94.2	Very high	136 Å²	136	41.8 Å²	41.8	73%	0.727	22%	0.216	S	C	*	.	H	α-helix	trans	-60.4	-38.5	-176.4	-63.4	-38.1	0	0	0	113.4	Q190 R191 Q192	D188-Q190 PolarHBondContact O-N 2.87Å; D188-R191 PolarHBondContact O-N 2.84Å; D188-Q192 WeakPolarHBondContact O-CB 3.4Å; D188-Q192 PolarHBondContact O-N 2.89Å
189	S	91.1	Very high	94.2	Very high	64 Å²	64	47 Å²	47	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-45.3	176.5	178.2	0	0	0	0	111.3	G114 N187 Q192 A193	G114-S189 PolarHBondContact O-OG 3.2Å; N187-S189 VanDerWaalsContact C-N 3.32Å; N187-S189 PolarHBondContact O-N 3.19Å; N187-S189 WeakPolarHBondContact OD1-CA 3.3Å; N187-S189 VanDerWaalsContact OD1-CB 3.32Å; N187-S189 WeakPolarHBondContact OD1-CB 3.37Å; N187-S189 PolarHBondContact OD1-N 3.01Å; S189-Q192 PolarHBondContact O-N 2.48Å; S189-A193 VanDerWaalsContact O-CB 3.27Å; S189-A193 WeakPolarHBondContact O-CB 3.09Å; S189-A193 PolarHBondContact O-N 2.95Å
190	Q	92.8	Very high	94.2	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-36.3	-179.8	-58.7	177.6	-63.6	0	0	112.2	I113 F186 N187 D188 T194	I113-Q190 WeakPolarHBondContact O-CG 3.37Å; F186-Q190 HydrophobicContact CB-CB 4.03Å; F186-Q190 HydrophobicContact CD1-CB 4.34Å; F186-Q190 HydrophobicContact CD2-CB 3.4Å; F186-Q190 VanDerWaalsContact CD2-CB 3.4Å; F186-Q190 HydrophobicContact CE2-CB 3.82Å; F186-Q190 HydrophobicContact CG-CB 3.69Å; F186-Q190 HydrophobicContact CZ-CB 4.43Å; N187-Q190 VanDerWaalsContact N-OE1 3.12Å; N187-Q190 PolarHBondContact O-N 3.34Å; N187-Q190 WeakPolarHBondContact OD1-CG 3.44Å; N187-Q190 PolarHBondContact OD1-N 3.02Å; D188-Q190 PolarHBondContact O-N 2.87Å; Q190-T194 WeakPolarHBondContact O-CB 3.18Å; Q190-T194 PolarHBondContact O-N 2.62Å; Q190-T194 PolarHBondContact O-OG1 3.07Å
191	R	94.5	Very high	94.1	Very high	58 Å²	58	49.8 Å²	49.8	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-45.8	173.4	-71.1	176.5	-177.8	-86.1	-4.9	111.4	V182 A184 F186 N187 D188 T194 K195 N210	V182-R191 HydrophobicContact CG2-CG 4.29Å; V182-R191 VanDerWaalsContact CG2-NH1 3.34Å; A184-R191 PolarHBondContact O-NH2 3.04Å; F186-R191 HydrophobicContact CB-CG 4.18Å; F186-R191 PolarHBondContact O-NE 3.49Å; N187-R191 WeakPolarHBondContact O-CG 3.26Å; N187-R191 PolarHBondContact O-N 2.87Å; D188-R191 PolarHBondContact O-N 2.84Å; R191-T194 PolarHBondContact O-N 3.01Å; R191-K195 PolarHBondContact O-N 2.94Å; R191-N210 VanDerWaalsContact CZ-OD1 3.28Å; R191-N210 PolarHBondContact NH1-OD1 3.37Å; R191-N210 PolarHBondContact NH2-OD1 3.2Å
192	Q	94.1	Very high	94.1	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-46.2	177.7	-172.6	57.4	46.3	0	0	110.9	D188 S189 T194 K195 D196	D188-Q192 WeakPolarHBondContact O-CB 3.4Å; D188-Q192 PolarHBondContact O-N 2.89Å; S189-Q192 PolarHBondContact O-N 2.48Å; Q192-T194 PolarHBondContact O-N 2.76Å; Q192-K195 CarbonylContact O-C 3.53Å; Q192-K195 WeakPolarHBondContact O-CA 3.23Å; Q192-K195 VanDerWaalsContact O-CB 3.31Å; Q192-K195 WeakPolarHBondContact O-CB 3.28Å; Q192-K195 PolarHBondContact O-N 3.27Å; Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 PolarHBondContact O-N 2.99Å
193	A	94.2	Very high	94.1	Very high	11 Å²	11	51.4 Å²	51.4	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-32.9	176.7	0	0	0	0	0	113	I113 S153 S189 A197	I113-A193 HydrophobicContact CD1-CB 4.34Å; I113-A193 HydrophobicContact CG1-CB 3.71Å; S153-A193 WeakPolarHBondContact CB-O 3.41Å; S153-A193 PolarHBondContact OG-O 2.69Å; S189-A193 VanDerWaalsContact O-CB 3.27Å; S189-A193 WeakPolarHBondContact O-CB 3.09Å; S189-A193 PolarHBondContact O-N 2.95Å; A193-A197 PolarHBondContact O-N 3.32Å
194	T	95	Very high	94.3	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-71.7	-39.4	172.9	-54.9	0	0	0	0	111.8	L49 I180 V182 Q190 R191 Q192 D196 A197 G198	L49-T194 HydrophobicContact CD2-CG2 4.16Å; I180-T194 HydrophobicContact CG2-CG2 3.78Å; V182-T194 HydrophobicContact CG1-CG2 3.71Å; Q190-T194 WeakPolarHBondContact O-CB 3.18Å; Q190-T194 PolarHBondContact O-N 2.62Å; Q190-T194 PolarHBondContact O-OG1 3.07Å; R191-T194 PolarHBondContact O-N 3.01Å; Q192-T194 PolarHBondContact O-N 2.76Å; T194-D196 VanDerWaalsContact C-N 3.33Å; T194-A197 WeakPolarHBondContact O-CB 3.44Å; T194-A197 PolarHBondContact O-N 3.04Å; T194-G198 PolarHBondContact O-N 3.38Å
195	K	95.6	Very high	94.5	Very high	79 Å²	79	53.6 Å²	53.6	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173.5	-170	179.9	-179.7	-179.3	0	111.2	R191 Q192 A197 G198 Q199 V205 V208	R191-K195 PolarHBondContact O-N 2.94Å; Q192-K195 CarbonylContact O-C 3.53Å; Q192-K195 WeakPolarHBondContact O-CA 3.23Å; Q192-K195 VanDerWaalsContact O-CB 3.31Å; Q192-K195 WeakPolarHBondContact O-CB 3.28Å; Q192-K195 PolarHBondContact O-N 3.27Å; K195-A197 VanDerWaalsContact C-N 3.34Å; K195-G198 PolarHBondContact O-N 3.14Å; K195-G198 VanDerWaalsContact O-N 3.14Å; K195-Q199 PolarHBondContact O-N 3.41Å; K195-V205 HydrophobicContact CG-CB 4Å; K195-V205 HydrophobicContact CG-CG1 4.23Å; K195-V205 HydrophobicContact CG-CG2 4.39Å; K195-V208 HydrophobicContact CB-CG2 4.44Å
196	D	95.7	Very high	94.7	Very high	54 Å²	54	48.6 Å²	48.6	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-39.5	177.2	-60.6	-19	0	0	0	111	Q192 T194 G198 Q199 I200	Q192-D196 PolarHBondContact NE2-OD1 2.91Å; Q192-D196 PolarHBondContact O-N 2.99Å; T194-D196 VanDerWaalsContact C-N 3.33Å; D196-G198 VanDerWaalsContact C-N 3.27Å; D196-G198 PolarHBondContact O-N 2.74Å; D196-Q199 PolarHBondContact O-N 3.04Å; D196-Q199 VanDerWaalsContact O-N 3.13Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.22Å; D196-I200 PolarHBondContact O-N 3.12Å
197	A	96.6	Very high	94.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-41.3	172.5	0	0	0	0	0	112	S153 A157 L160 A193 T194 K195 I200 A201	S153-A197 WeakPolarHBondContact O-CB 3.44Å; A157-A197 WeakPolarHBondContact CB-O 3.42Å; L160-A197 HydrophobicContact CD1-CB 3.9Å; A193-A197 PolarHBondContact O-N 3.32Å; T194-A197 WeakPolarHBondContact O-CB 3.44Å; T194-A197 PolarHBondContact O-N 3.04Å; K195-A197 VanDerWaalsContact C-N 3.34Å; A197-I200 PolarHBondContact O-N 3.05Å; A197-A201 PolarHBondContact O-N 2.83Å; A197-A201 VanDerWaalsContact O-N 3.07Å
198	G	97.1	Very high	95.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-43	173.8	0	0	0	0	0	112.9	T194 K195 D196 A201 G202 L203	T194-G198 PolarHBondContact O-N 3.38Å; K195-G198 PolarHBondContact O-N 3.14Å; K195-G198 VanDerWaalsContact O-N 3.14Å; D196-G198 VanDerWaalsContact C-N 3.27Å; D196-G198 PolarHBondContact O-N 2.74Å; G198-A201 PolarHBondContact O-N 2.84Å; G198-G202 PolarHBondContact O-N 2.97Å; G198-L203 CarbonylContact C-O 3.54Å; G198-L203 WeakPolarHBondContact O-CB 3.48Å; G198-L203 PolarHBondContact O-N 2.97Å
199	Q	96.2	Very high	95.2	Very high	110 Å²	110	48.7 Å²	48.7	51%	0.514	25%	0.25	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176.5	-67.8	177.1	10.4	0	0	112.2	K195 D196 A201 G202	K195-Q199 PolarHBondContact O-N 3.41Å; D196-Q199 PolarHBondContact O-N 3.04Å; D196-Q199 VanDerWaalsContact O-N 3.13Å; Q199-A201 VanDerWaalsContact C-N 3.25Å; Q199-A201 PolarHBondContact O-N 2.89Å; Q199-G202 WeakPolarHBondContact O-CA 3.47Å; Q199-G202 PolarHBondContact O-N 3.18Å
200	I	96.5	Very high	95.4	Very high	92 Å²	92	47.8 Å²	47.8	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-34.6	176.1	-65.2	163.4	0	0	0	111	Q154 A157 D196 A197 G202	Q154-I200 HydrophobicContact CG-CD1 4.15Å; A157-I200 HydrophobicContact CB-CB 3.63Å; A157-I200 HydrophobicContact CB-CG2 3.44Å; A157-I200 VanDerWaalsContact CB-CG2 3.44Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.22Å; D196-I200 PolarHBondContact O-N 3.12Å; A197-I200 PolarHBondContact O-N 3.05Å; I200-G202 PolarHBondContact O-N 2.88Å
201	A	96.6	Very high	95.5	Very high	7 Å²	7	50.3 Å²	50.3	6%	0.058	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-0.8	173.7	0	0	0	0	0	113.8	A157 L160 A197 G198 Q199 L203	A157-A201 HydrophobicContact CB-CB 4.31Å; L160-A201 HydrophobicContact CB-CB 3.7Å; A197-A201 PolarHBondContact O-N 2.83Å; A197-A201 VanDerWaalsContact O-N 3.07Å; G198-A201 PolarHBondContact O-N 2.84Å; Q199-A201 VanDerWaalsContact C-N 3.25Å; Q199-A201 PolarHBondContact O-N 2.89Å; A201-L203 HydrophobicContact CB-CD1 4.39Å
202	G	95.7	Very high	95.5	Very high	42 Å²	42	51.2 Å²	51.2	43%	0.433	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	36	-176.3	0	0	0	0	0	112.9	K164 G198 Q199 I200	K164-G202 PolarHBondContact NZ-O 2.96Å; K164-G202 VanDerWaalsContact NZ-O 3.1Å; G198-G202 PolarHBondContact O-N 2.97Å; Q199-G202 WeakPolarHBondContact O-CA 3.47Å; Q199-G202 PolarHBondContact O-N 3.18Å; I200-G202 PolarHBondContact O-N 2.88Å
203	L	96.5	Very high	95.5	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.264	C	S	.	.			trans	-112.9	131.8	172.6	-64.1	167.7	0	0	0	110.2	I45 I47 L160 K164 V175 A178 G198 A201 V205	I45-L203 HydrophobicContact CD1-CD2 4.26Å; I47-L203 HydrophobicContact CD1-CD1 3.73Å; L160-L203 HydrophobicContact CB-CD1 4.47Å; K164-L203 HydrophobicContact CB-CD1 4.48Å; K164-L203 HydrophobicContact CB-CD2 4.23Å; K164-L203 HydrophobicContact CD-CD2 3.82Å; K164-L203 HydrophobicContact CD-CG 4.21Å; K164-L203 HydrophobicContact CG-CD2 4.03Å; V175-L203 HydrophobicContact CG1-CD2 4.31Å; A178-L203 HydrophobicContact CB-CB 4.15Å; A178-L203 HydrophobicContact CB-CD1 3.97Å; A178-L203 HydrophobicContact CB-CD2 4.19Å; A178-L203 HydrophobicContact CB-CG 4.34Å; G198-L203 CarbonylContact C-O 3.54Å; G198-L203 WeakPolarHBondContact O-CB 3.48Å; G198-L203 PolarHBondContact O-N 2.97Å; A201-L203 HydrophobicContact CB-CD1 4.39Å; L203-V205 PolarHBondContact O-N 3.18Å
204	N	96.4	Very high	95.5	Very high	91 Å²	91	50.8 Å²	50.8	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	104.2	164.3	179.3	27.1	0	0	0	109.1	S176 N177 A178 L206	S176-N204 WeakPolarHBondContact O-CB 3.28Å; S176-N204 PolarHBondContact O-N 2.96Å; N177-N204 WeakPolarHBondContact CA-O 3.48Å; N177-N204 PolarHBondContact OD1-ND2 3.16Å; A178-N204 PolarHBondContact N-O 3.04Å; N204-L206 WeakPolarHBondContact ND2-CD2 3.39Å; N204-L206 PolarHBondContact O-N 2.86Å; N204-L206 VanDerWaalsContact O-N 3.09Å
205	V	96.1	Very high	95.4	Very high	10 Å²	10	53.7 Å²	53.7	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	95.2	-179.7	-174	0	0	0	0	109.4	A178 I180 K195 L203 R207 V208	A178-V205 WeakPolarHBondContact O-CA 3.37Å; I180-V205 HydrophobicContact CD1-CG1 4.23Å; I180-V205 HydrophobicContact CD1-CG2 3.7Å; I180-V205 HydrophobicContact CG1-CG1 4.33Å; K195-V205 HydrophobicContact CG-CB 4Å; K195-V205 HydrophobicContact CG-CG1 4.23Å; K195-V205 HydrophobicContact CG-CG2 4.39Å; L203-V205 PolarHBondContact O-N 3.18Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-V208 HydrophobicContact CG1-CG2 3.81Å
206	L	94.8	Very high	95.2	Very high	69 Å²	69	53 Å²	53	36%	0.361	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-37.2	-178	-64.3	179	0	0	0	112.1	V40 V44 N177 A178 N204	V40-L206 HydrophobicContact CB-CD1 4.45Å; V40-L206 HydrophobicContact CG1-CD1 3.71Å; V40-L206 HydrophobicContact CG2-CD1 3.93Å; V40-L206 HydrophobicContact CG2-CD2 4.05Å; V44-L206 HydrophobicContact CG1-CD1 3.91Å; V44-L206 HydrophobicContact CG2-CD1 3.74Å; N177-L206 HydrophobicContact CB-CD1 3.86Å; N177-L206 HydrophobicContact CB-CG 4.19Å; A178-L206 PolarHBondContact O-N 3.34Å; N204-L206 WeakPolarHBondContact ND2-CD2 3.39Å; N204-L206 PolarHBondContact O-N 2.86Å; N204-L206 VanDerWaalsContact O-N 3.09Å
207	R	94.4	Very high	95	Very high	171 Å²	171	55.3 Å²	55.3	65%	0.645	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	140.2	-179.7	-171.7	170.4	-69.3	174.9	-1	110.2	V179 I180 V205	V179-R207 WeakPolarHBondContact CA-O 3.39Å; V179-R207 HydrophobicContact CG1-CB 4.4Å; V179-R207 HydrophobicContact CG2-CB 4.36Å; I180-R207 PolarHBondContact N-O 2.96Å; I180-R207 VanDerWaalsContact N-O 3.14Å; V205-R207 VanDerWaalsContact C-N 3.34Å
208	V	95.1	Very high	94.7	Very high	36 Å²	36	58 Å²	58	22%	0.218	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119	164.1	177	0	0	0	0	107	I180 V182 K195 V205	I180-V208 VanDerWaalsContact O-CA 3.32Å; I180-V208 WeakPolarHBondContact O-CA 3.32Å; V182-V208 HydrophobicContact CB-CG1 4.09Å; V182-V208 HydrophobicContact CG1-CG1 3.56Å; V182-V208 HydrophobicContact CG2-CG1 3.4Å; K195-V208 HydrophobicContact CB-CG2 4.44Å; V205-V208 HydrophobicContact CG1-CG2 3.81Å
209	I	95.2	Very high	94.2	Very high	28 Å²	28	65.3 Å²	65.3	14%	0.144	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	147.6	-176.2	-167	168.1	0	0	0	110.8	V179 I180 T181 V182 T213 A214 L217	V179-I209 HydrophobicContact CG1-CB 4.35Å; V179-I209 HydrophobicContact CG1-CG2 3.88Å; I180-I209 PolarHBondContact O-N 3.29Å; T181-I209 CarbonylContact C-O 3.6Å; T181-I209 VanDerWaalsContact CA-O 3.3Å; T181-I209 WeakPolarHBondContact CA-O 3.37Å; T181-I209 HydrophobicContact CG2-CG2 4Å; V182-I209 PolarHBondContact N-O 2.87Å; I209-T213 HydrophobicContact CD1-CG2 4.18Å; I209-T213 HydrophobicContact CG1-CG2 4.27Å; I209-A214 HydrophobicContact CD1-CB 4.34Å; I209-A214 HydrophobicContact CG2-CB 4.1Å; I209-L217 HydrophobicContact CD1-CD1 3.62Å
210	N	94.8	Very high	93.7	Very high	45 Å²	45	61.8 Å²	61.8	24%	0.241	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.2	173.8	-61.8	-20.4	0	0	0	110	V182 A184 R191 P212 T213 A214	V182-N210 CarbonylContact O-C 3.54Å; V182-N210 WeakPolarHBondContact O-CA 3.39Å; A184-N210 HydrophobicContact CB-CB 4.37Å; R191-N210 VanDerWaalsContact CZ-OD1 3.28Å; R191-N210 PolarHBondContact NH1-OD1 3.37Å; R191-N210 PolarHBondContact NH2-OD1 3.2Å; N210-P212 HydrophobicContact CB-CG 4.37Å; N210-T213 CarbonylContact O-C 3.53Å; N210-T213 WeakPolarHBondContact O-CA 3.35Å; N210-T213 WeakPolarHBondContact O-CB 3.44Å; N210-T213 PolarHBondContact O-N 3.32Å; N210-A214 PolarHBondContact O-N 3.1Å
211	E	93.8	Very high	92.8	Very high	59 Å²	59	60.7 Å²	60.7	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-46.8	-51.9	174.8	-74.7	163.4	-162.8	0	0	113.4	K110 V182 P183 T213 A214 A215	K110-E211 IonicContact NZ-OE1 2.62Å; K110-E211 PolarHBondContact NZ-OE1 2.99Å; V182-E211 WeakPolarHBondContact O-CG 3.33Å; V182-E211 PolarHBondContact O-N 3.47Å; P183-E211 WeakPolarHBondContact CD-OE1 3.38Å; P183-E211 WeakPolarHBondContact CG-OE1 3.39Å; E211-T213 VanDerWaalsContact C-N 3.26Å; E211-T213 PolarHBondContact O-N 3.02Å; E211-A214 PolarHBondContact O-N 3.48Å; E211-A215 PolarHBondContact O-N 3.3Å
212	P	94.5	Very high	91.5	Very high	77 Å²	77	66.2 Å²	66.2	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-29.9	178.3	24.2	-34.7	0	0	0	113.1	A184 N210 A216	A184-P212 HydrophobicContact CB-CG 3.83Å; N210-P212 HydrophobicContact CB-CG 4.37Å; P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 3.01Å
213	T	94.2	Very high	89.9	Confident	64 Å²	64	69.4 Å²	69.4	39%	0.393	38%	0.384	S	S	.	.	H	α-helix	trans	-70.9	-40.8	175.1	-54.2	0	0	0	0	111.2	I209 N210 E211 A215 A216 L217	I209-T213 HydrophobicContact CD1-CG2 4.18Å; I209-T213 HydrophobicContact CG1-CG2 4.27Å; N210-T213 CarbonylContact O-C 3.53Å; N210-T213 WeakPolarHBondContact O-CA 3.35Å; N210-T213 WeakPolarHBondContact O-CB 3.44Å; N210-T213 PolarHBondContact O-N 3.32Å; E211-T213 VanDerWaalsContact C-N 3.26Å; E211-T213 PolarHBondContact O-N 3.02Å; T213-A215 VanDerWaalsContact C-N 3.35Å; T213-A216 PolarHBondContact O-N 3.35Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 2.98Å
214	A	94.1	Very high	88.1	Confident	27 Å²	27	74.1 Å²	74.1	22%	0.223	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-41.9	174.7	0	0	0	0	0	111.6	T181 I209 N210 E211 L217 A218	T181-A214 HydrophobicContact CG2-CB 4.22Å; I209-A214 HydrophobicContact CD1-CB 4.34Å; I209-A214 HydrophobicContact CG2-CB 4.1Å; N210-A214 PolarHBondContact O-N 3.1Å; E211-A214 PolarHBondContact O-N 3.48Å; A214-L217 PolarHBondContact O-N 2.94Å; A214-A218 PolarHBondContact O-N 3.43Å
215	A	92.7	Very high	86.2	Confident	62 Å²	62	74.9 Å²	74.9	51%	0.512	42%	0.418	S	S	.	.	H	α-helix	trans	-62.2	-43	174.6	0	0	0	0	0	112.3	E211 T213 L217 A218 Y219	E211-A215 PolarHBondContact O-N 3.3Å; T213-A215 VanDerWaalsContact C-N 3.35Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 2.9Å; A215-A218 PolarHBondContact O-N 2.8Å; A215-Y219 PolarHBondContact O-N 2.92Å
216	A	92.8	Very high	84.3	Confident	66 Å²	66	81 Å²	81	55%	0.545	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-38	175.9	0	0	0	0	0	112.6	P212 T213 G220	P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 3.01Å; T213-A216 PolarHBondContact O-N 3.35Å; A216-G220 PolarHBondContact O-N 2.74Å
217	L	91.3	Very high	82	Confident	101 Å²	101	86.5 Å²	86.5	53%	0.529	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-45.8	174.5	-73.6	171	0	0	0	111.6	I209 T213 A214 A215 Y219 G220 M221	I209-L217 HydrophobicContact CD1-CD1 3.62Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 2.98Å; A214-L217 PolarHBondContact O-N 2.94Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 2.9Å; L217-Y219 PolarHBondContact O-N 3.44Å; L217-G220 PolarHBondContact O-N 3.2Å; L217-M221 WeakPolarHBondContact O-CG 3.43Å; L217-M221 PolarHBondContact O-N 2.89Å; L217-M221 VanDerWaalsContact O-N 3.1Å
218	A	89	Confident	79.3	Confident	57 Å²	57	90.4 Å²	90.4	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-46.9	177.1	0	0	0	0	0	111.5	A214 A215 G220 M221	A214-A218 PolarHBondContact O-N 3.43Å; A215-A218 PolarHBondContact O-N 2.8Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 2.77Å; A218-M221 PolarHBondContact O-N 2.74Å
219	Y	87.3	Confident	78.5	Confident	153 Å²	153	93.1 Å²	93.1	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-33.7	176.8	-175	-104.9	0	0	0	113.4	A215 L217 K223	A215-Y219 PolarHBondContact O-N 2.92Å; L217-Y219 PolarHBondContact O-N 3.44Å; Y219-K223 HydrophobicContact CE1-CD 4.12Å; Y219-K223 VanDerWaalsContact CZ-NZ 3.34Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 3.09Å
220	G	85.1	Confident	77.6	Confident	36 Å²	36	96.5 Å²	96.5	37%	0.371	53%	0.533	S	S	.	.	H	α-helix	trans	-72.9	-28.2	179.3	0	0	0	0	0	114	A216 L217 A218	A216-G220 PolarHBondContact O-N 2.74Å; L217-G220 PolarHBondContact O-N 3.2Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 2.77Å
221	M	79.5	Confident	76.6	Confident	70 Å²	70	99.4 Å²	99.4	35%	0.345	55%	0.549	S	S	.	.	H	α-helix	trans	-69.7	-37.3	-178.2	-75.3	174.6	64.7	0	0	112.8	M59 K62 A64 L217 A218 K223 T224	M59-M221 HydrophobicContact CE-CE 3.77Å; M59-M221 HydrophobicContact SD-CE 4.15Å; K62-M221 WeakPolarHBondContact O-CE 3.15Å; A64-M221 HydrophobicContact CB-CE 4.39Å; L217-M221 WeakPolarHBondContact O-CG 3.43Å; L217-M221 PolarHBondContact O-N 2.89Å; L217-M221 VanDerWaalsContact O-N 3.1Å; A218-M221 PolarHBondContact O-N 2.74Å; M221-K223 VanDerWaalsContact C-N 3.3Å; M221-K223 PolarHBondContact O-N 2.89Å; M221-T224 PolarHBondContact O-OG1 3Å
222	D	68.3	Low	75.6	Confident	123 Å²	123	101.8 Å²	101.8	66%	0.658	57%	0.565	S	S	*	*	H	α-helix	trans	-69.6	-30.2	179.6	-65.1	-22.3	0	0	0	111.9	T224	D222-T224 PolarHBondContact O-N 3.17Å
223	K	62.7	Low	74.4	Confident	109 Å²	109	103.3 Å²	103.3	47%	0.474	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-12.2	-175.8	-69.9	-162.7	176	-172.5	0	115.3	Y219 M221 D225	Y219-K223 HydrophobicContact CE1-CD 4.12Å; Y219-K223 VanDerWaalsContact CZ-NZ 3.34Å; Y219-K223 WeakPolarHBondContact OH-CE 3.33Å; Y219-K223 PolarHBondContact OH-NZ 3.09Å; M221-K223 VanDerWaalsContact C-N 3.3Å; M221-K223 PolarHBondContact O-N 2.89Å; K223-D225 VanDerWaalsContact C-N 3.33Å
224	T	57.8	Low	73.1	Confident	102 Å²	102	105.9 Å²	105.9	63%	0.626	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	176.9	32.4	0	0	0	0	113.1	M221 D222	M221-T224 PolarHBondContact O-OG1 3Å; D222-T224 PolarHBondContact O-N 3.17Å
225	D	56.5	Low	71.6	Confident	108 Å²	108	111.6 Å²	111.6	58%	0.578	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-21.7	179.5	-69	-14.9	0	0	0	112.4	K223 K227	K223-D225 VanDerWaalsContact C-N 3.33Å; D225-K227 PolarHBondContact O-N 3.49Å
226	D	56.2	Low	70	Confident	139 Å²	139	115.4 Å²	115.4	74%	0.743	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	10.2	176	-79.2	-19.1	0	0	0	114.4
227	K	47.2	Very low	68.1	Low	183 Å²	183	119.5 Å²	119.5	80%	0.796	62%	0.62	S	S	*	*			trans	-117.5	65.6	174.8	-68.2	-165.9	179.6	-174.3	0	111.4	D225	D225-K227 PolarHBondContact O-N 3.49Å
228	M	36.4	Very low	66	Low	253 Å²	253	121.2 Å²	121.2	100%	1.246	63%	0.628	S	S	*	*			trans	-143.4	0	154	-73.7	-154.1	-170.2	0	0	109

Retrieved 228 of 228 residues in 375.2 ms (Link to these results)

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