A0A077YX12_TRITR Loading...

DUF2358 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YX12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	34.6	Very low	250 Å²	250	161.4 Å²	161.4	100%	1.232	88%	0.876	S	S	*	*				0	138.6	0	-75.8	162.4	116.9	0	0	108.5
2	K	33.2	Very low	34.3	Very low	213 Å²	213	160.9 Å²	160.9	93%	0.926	87%	0.872	S	S	*	*			trans	-59.4	149.5	-165.9	-99.7	171.7	170.3	175.6	0	114.9
3	A	35.2	Very low	34.7	Very low	96 Å²	96	159.5 Å²	159.5	79%	0.793	87%	0.872	S	S	*	*			trans	-54.6	146.9	168.2	0	0	0	0	0	113.5
4	K	36.7	Very low	34.5	Very low	204 Å²	204	161.3 Å²	161.3	89%	0.887	87%	0.871	S	S	*	*			trans	-135.3	93.5	162.6	-124.2	178.7	-179.6	-175.7	0	108.2
5	Q	32.8	Very low	34.2	Very low	197 Å²	197	161.8 Å²	161.8	92%	0.921	87%	0.872	S	S	*	*			trans	-86.6	128.2	154.4	-83.5	170.7	-24.8	0	0	106.6
6	S	38.2	Very low	34.3	Very low	108 Å²	108	160.6 Å²	160.6	76%	0.755	87%	0.872	S	S	*	*			trans	-137	121.2	166	41.8	0	0	0	0	108.2
7	A	32.8	Very low	34.2	Very low	95 Å²	95	156.8 Å²	156.8	79%	0.785	86%	0.859	S	S	*	*			trans	-63.3	139.1	-174	0	0	0	0	0	112.7
8	L	35.1	Very low	34.1	Very low	174 Å²	174	162.5 Å²	162.5	91%	0.911	87%	0.865	S	S	*	*			trans	-100.1	104.4	158.8	-85.5	161.7	0	0	0	107.1	L10	L8-L10 PolarHBondContact O-N 3.47Å
9	T	32.6	Very low	34.2	Very low	127 Å²	127	164.9 Å²	164.9	78%	0.779	86%	0.861	S	S	*	*			trans	-66.2	118	169.2	44.9	0	0	0	0	108.9
10	L	34	Very low	34.3	Very low	165 Å²	165	162 Å²	162	86%	0.864	86%	0.855	S	S	*	*			trans	-110.8	76	-178.7	-153.2	156	0	0	0	107.5	L8	L8-L10 PolarHBondContact O-N 3.47Å
11	D	29.1	Very low	34.5	Very low	146 Å²	146	163.6 Å²	163.6	78%	0.781	86%	0.855	S	S	*	*			trans	-115.6	113.7	165.6	-91.1	-45.3	0	0	0	106.4
12	D	30.9	Very low	34.1	Very low	156 Å²	156	162.1 Å²	162.1	83%	0.834	84%	0.836	S	S	*	*			trans	163.2	81.4	146.8	-84.7	-26.9	0	0	0	110.1
13	T	38.9	Very low	34.3	Very low	142 Å²	142	156.3 Å²	156.3	87%	0.871	82%	0.82	S	S	*	*			trans	-143.8	64	154	-34.6	0	0	0	0	110
14	H	31.7	Very low	34.4	Very low	185 Å²	185	156.2 Å²	156.2	86%	0.856	81%	0.812	S	S	*	*			trans	-101.6	139.2	159.7	-96.9	-89.9	0	0	0	109.4
15	L	30.5	Very low	34.6	Very low	169 Å²	169	152.1 Å²	152.1	89%	0.885	81%	0.808	S	S	*	*			trans	99.9	80.4	169.4	-64	142.5	0	0	0	117.4
16	V	36.1	Very low	34.8	Very low	143 Å²	143	150.4 Å²	150.4	87%	0.867	81%	0.805	S	S	*	*			trans	-130.4	119.1	143.4	-179.2	0	0	0	0	110.5
17	C	33	Very low	34.8	Very low	96 Å²	96	149.6 Å²	149.6	65%	0.649	79%	0.792	S	S	*	*			trans	65.6	83.8	160.1	-83.8	0	0	0	0	120.1	R19	C17-R19 PolarHBondContact O-N 3.04Å
18	R	31.4	Very low	34.9	Very low	259 Å²	259	153.1 Å²	153.1	98%	0.977	80%	0.796	S	S	*	*			trans	-69.5	74.1	135.5	-76.9	-170.8	178	-156.2	1.5	109.7
19	R	36.2	Very low	34.8	Very low	208 Å²	208	154 Å²	154	79%	0.785	80%	0.796	S	S	*	*			trans	-98.5	114.1	155.6	-84.8	-172.7	176.7	-178.6	0.8	106.8	C17 F21	C17-R19 PolarHBondContact O-N 3.04Å; R19-F21 VanDerWaalsContact C-N 3.32Å; R19-F21 PolarHBondContact O-N 3.22Å
20	S	35.4	Very low	34.9	Very low	106 Å²	106	151.5 Å²	151.5	74%	0.741	79%	0.788	S	S	*	*			trans	-54.6	94.8	173.5	176.4	0	0	0	0	109.2	R22	S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 3.18Å
21	F	38.8	Very low	34.9	Very low	196 Å²	196	148 Å²	148	86%	0.86	77%	0.77	S	S	*	*			trans	-64	96.3	166.4	-117.1	-93.8	0	0	0	106.8	R19 P23	R19-F21 VanDerWaalsContact C-N 3.32Å; R19-F21 PolarHBondContact O-N 3.22Å; F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.25Å
22	R	32.4	Very low	35.5	Very low	219 Å²	219	145.8 Å²	145.8	83%	0.826	76%	0.764	S	S	*	*			trans	-85.6	105.7	161.1	-78.5	-170.2	-179	-157.8	1.4	106.3	S20	S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 3.18Å
23	P	38.3	Very low	36	Very low	91 Å²	91	147.5 Å²	147.5	59%	0.591	76%	0.764	S	S	*	*			trans	-63.1	146.3	169.9	26.1	-31	0	0	0	109.1	F21 S25	F21-P23 VanDerWaalsContact O-CD 3.26Å; F21-P23 WeakPolarHBondContact O-CD 3.25Å; P23-S25 PolarHBondContact O-N 2.98Å
24	P	36.2	Very low	35.8	Very low	95 Å²	95	143.3 Å²	143.3	62%	0.617	74%	0.74	S	S	*	*			trans	-52.4	137.5	177.9	-23.7	32.2	0	0	0	111.2	L26 L27	P24-L26 PolarHBondContact O-N 2.9Å; P24-L27 PolarHBondContact O-N 3.31Å
25	S	41.2	Very low	35.9	Very low	117 Å²	117	137.7 Å²	137.7	82%	0.818	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-62.5	6.2	-173.3	36.2	0	0	0	0	116.1	P23 L27	P23-S25 PolarHBondContact O-N 2.98Å; S25-L27 VanDerWaalsContact C-N 3.3Å
26	L	37.3	Very low	36	Very low	162 Å²	162	138.1 Å²	138.1	85%	0.848	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-83.7	-0.2	174.7	-66.3	178.9	0	0	0	113.8	P24	P24-L26 PolarHBondContact O-N 2.9Å
27	L	39.2	Very low	36	Very low	91 Å²	91	138.8 Å²	138.8	48%	0.476	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-115.9	17.2	-175.4	-72.5	175.5	0	0	0	115.2	P24 S25 Q29 T143	P24-L27 PolarHBondContact O-N 3.31Å; S25-L27 VanDerWaalsContact C-N 3.3Å; L27-Q29 PolarHBondContact O-N 3.49Å; L27-T143 HydrophobicContact CD1-CG2 4.18Å
28	L	34.4	Very low	36	Very low	168 Å²	168	141.4 Å²	141.4	88%	0.88	72%	0.716	S	S	*	*			trans	-74.9	1	173.7	-137.6	98.9	0	0	0	113.9	A30	L28-A30 PolarHBondContact O-N 3.49Å
29	Q	34	Very low	35.9	Very low	193 Å²	193	138 Å²	138	90%	0.902	71%	0.709	S	S	*	*			trans	-82.7	63.7	168.6	-144.4	165.9	-15.9	0	0	109	L27 D31	L27-Q29 PolarHBondContact O-N 3.49Å; Q29-D31 PolarHBondContact O-N 3.48Å
30	A	33.6	Very low	35.6	Very low	74 Å²	74	132.5 Å²	132.5	61%	0.612	70%	0.702	S	S	*	*			trans	-70.2	124	177.2	0	0	0	0	0	110.1	L28	L28-A30 PolarHBondContact O-N 3.49Å
31	D	34.7	Very low	35.4	Very low	92 Å²	92	133.5 Å²	133.5	49%	0.492	70%	0.703	S	S	.	*			trans	-54	144.4	170.7	-92.4	-45.6	0	0	0	112.5	Q29 F33 C34 S35 H127	Q29-D31 PolarHBondContact O-N 3.48Å; D31-F33 PolarHBondContact O-N 2.82Å; D31-F33 VanDerWaalsContact O-N 3.07Å; D31-C34 PolarHBondContact O-N 3.06Å; D31-S35 PolarHBondContact O-N 2.92Å; D31-H127 IonicContact OD2-ND1 3.52Å
32	P	41.7	Very low	35.1	Very low	100 Å²	100	129.2 Å²	129.2	65%	0.649	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-7.7	176.8	25	-31.8	0	0	0	114.3	C34	P32-C34 VanDerWaalsContact C-N 3.35Å
33	F	40.6	Very low	35	Very low	192 Å²	192	126.6 Å²	126.6	84%	0.842	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-27.9	171.3	-129.4	-92.8	0	0	0	112.3	D31	D31-F33 PolarHBondContact O-N 2.82Å; D31-F33 VanDerWaalsContact O-N 3.07Å
34	C	34.6	Very low	34.4	Very low	54 Å²	54	127.1 Å²	127.1	37%	0.365	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-28.9	-178.8	-161.8	0	0	0	0	112.7	D31 P32 K36 H37	D31-C34 PolarHBondContact O-N 3.06Å; P32-C34 VanDerWaalsContact C-N 3.35Å; C34-K36 PolarHBondContact O-N 3.1Å; C34-K36 VanDerWaalsContact O-N 3.11Å; C34-H37 PolarHBondContact O-N 3.17Å
35	S	33.4	Very low	34.1	Very low	67 Å²	67	132.2 Å²	132.2	47%	0.469	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-16.2	-177.3	-171.9	0	0	0	0	114.6	D31	D31-S35 PolarHBondContact O-N 2.92Å
36	K	32.6	Very low	33.3	Very low	177 Å²	177	130.7 Å²	130.7	77%	0.77	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-10.5	-178.8	-67.4	-170.6	-178.6	-176.7	0	114.5	C34	C34-K36 PolarHBondContact O-N 3.1Å; C34-K36 VanDerWaalsContact O-N 3.11Å
37	H	37	Very low	32.8	Very low	157 Å²	157	126.8 Å²	126.8	73%	0.727	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-9	-176.2	-76.6	-67.9	0	0	0	116.1	C34	C34-H37 PolarHBondContact O-N 3.17Å
38	L	33.7	Very low	32.1	Very low	152 Å²	152	130 Å²	130	80%	0.796	74%	0.741	S	S	*	*	S	Bend	trans	-95.8	0.1	176.4	-103.8	91.1	0	0	0	115.8	S40	L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.34Å
39	K	29.3	Very low	32	Very low	188 Å²	188	130 Å²	130	82%	0.817	74%	0.741	S	S	*	*	S	Bend	trans	-90.9	63.7	171.7	-69.6	-172	-179.1	-175.9	0	110.9
40	S	29.6	Very low	31.5	Very low	91 Å²	91	126 Å²	126	64%	0.636	73%	0.734	S	S	*	*	S	Bend	trans	-161.7	119	169	177.4	0	0	0	0	109.6	L38	L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.34Å
41	T	31	Very low	31.4	Very low	127 Å²	127	127.9 Å²	127.9	78%	0.779	74%	0.741	S	S	*	*			trans	82.3	88.1	159.1	-32.9	0	0	0	0	117.9
42	A	32.3	Very low	31.2	Very low	107 Å²	107	131.5 Å²	131.5	88%	0.884	76%	0.758	S	S	*	*			trans	-151.3	73.3	136.4	0	0	0	0	0	108.7
43	I	29.5	Very low	30.5	Very low	163 Å²	163	133.2 Å²	133.2	84%	0.836	76%	0.761	S	S	*	*			trans	-75.3	131.2	169.6	-74.2	172.1	0	0	0	108.8
44	S	25.9	Very low	29.9	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	76%	0.76	S	S	*	*			trans	-29.2	137.3	162.7	-178.6	0	0	0	0	116.9
45	K	30.6	Very low	30.1	Very low	203 Å²	203	136 Å²	136	88%	0.883	78%	0.779	S	S	*	*			trans	178.1	110.9	138.9	-95.1	165.2	-173.2	-172.6	0	105.3
46	G	23.8	Very low	29.8	Very low	84 Å²	84	143.2 Å²	143.2	87%	0.866	80%	0.796	S	S	*	*				88.2	100.1	68.2	0	0	0	0	0	108
47	G	27.2	Very low	29.7	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	80%	0.8	S	S	*	*			trans	172.7	85.7	-179.2	0	0	0	0	0	112.6
48	I	24.8	Very low	29.6	Very low	158 Å²	158	140 Å²	140	81%	0.81	80%	0.801	S	S	*	*			trans	-76.2	119.1	171.2	-67.2	162.8	0	0	0	107.6
49	L	31.5	Very low	29.7	Very low	168 Å²	168	142.2 Å²	142.2	88%	0.88	80%	0.804	S	S	*	*			trans	-140.4	109.6	157.8	-76.4	178	0	0	0	109.1
50	S	23.7	Very low	30.1	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	80%	0.804	S	S	*	*			trans	-68.1	142.4	163.4	-47.9	0	0	0	0	110.1
51	P	31.1	Very low	30.3	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	81%	0.814	S	S	*	*			trans	-126.9	112.9	146.4	26.6	-9.7	0	0	0	111.5
52	I	31.8	Very low	30.8	Very low	167 Å²	167	145.3 Å²	145.3	86%	0.856	82%	0.817	S	S	*	*				42.2	121.2	122.3	-55.9	169	0	0	0	117.9
53	L	26.2	Very low	31.2	Very low	137 Å²	137	144.7 Å²	144.7	72%	0.717	81%	0.806	S	S	*	*			trans	-59.7	163.5	170.9	-77.9	125.7	0	0	0	115.1
54	F	28.6	Very low	31.6	Very low	185 Å²	185	142.1 Å²	142.1	81%	0.811	80%	0.803	S	S	*	*			trans	103	148.1	157.2	-57.3	-68.9	0	0	0	116.9
55	P	37.8	Very low	32.6	Very low	119 Å²	119	143 Å²	143	77%	0.773	80%	0.804	S	S	*	*			cis	-129.7	160.1	-41.9	26.7	-9.2	0	0	0	114.9
56	R	28	Very low	33	Very low	219 Å²	219	141.1 Å²	141.1	83%	0.826	80%	0.798	S	S	*	*			trans	-49.2	127.6	163.7	-108.3	171.8	164.9	-177.9	-4.8	111.8
57	D	30.2	Very low	34	Very low	160 Å²	160	143.1 Å²	143.1	86%	0.856	80%	0.796	S	S	*	*			trans	-179.3	133.3	147.3	-83.6	-28.4	0	0	0	105.1
58	S	35.7	Very low	34.6	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	80%	0.795	S	S	*	*			cis	-146	133.7	7.1	-81.3	0	0	0	0	106.7	A60	S58-A60 PolarHBondContact O-N 3.11Å
59	F	34.7	Very low	35.4	Very low	197 Å²	197	150 Å²	150	86%	0.864	80%	0.801	S	S	*	*			trans	-73.1	93.8	169.2	-81.7	-95.7	0	0	0	108.5	Q61	F59-Q61 PolarHBondContact O-N 3.16Å
60	A	38.8	Very low	36	Very low	97 Å²	97	147.2 Å²	147.2	80%	0.802	80%	0.796	S	S	*	*			trans	-72.6	106.2	164.6	0	0	0	0	0	108.3	S58 F62	S58-A60 PolarHBondContact O-N 3.11Å; A60-F62 PolarHBondContact O-N 2.94Å; A60-F62 VanDerWaalsContact O-N 3.1Å
61	Q	33.3	Very low	37	Very low	184 Å²	184	147 Å²	147	86%	0.86	79%	0.794	S	S	*	*			trans	-38	104.9	171.6	-171	160.9	-23.5	0	0	112.3	F59 S63	F59-Q61 PolarHBondContact O-N 3.16Å; Q61-S63 PolarHBondContact O-N 2.89Å; Q61-S63 VanDerWaalsContact O-N 3.17Å
62	F	41.9	Very low	37.8	Very low	190 Å²	190	146.7 Å²	146.7	83%	0.833	79%	0.792	S	S	*	*			trans	-72.2	107.2	168	-167.9	-99.7	0	0	0	107.4	A60 S64	A60-F62 PolarHBondContact O-N 2.94Å; A60-F62 VanDerWaalsContact O-N 3.1Å; F62-S64 PolarHBondContact O-N 3.05Å
63	S	39.7	Very low	38.6	Very low	94 Å²	94	145.8 Å²	145.8	66%	0.657	79%	0.789	S	S	*	*			trans	-49.1	129.5	174.1	-72.9	0	0	0	0	110.4	Q61 V65	Q61-S63 PolarHBondContact O-N 2.89Å; Q61-S63 VanDerWaalsContact O-N 3.17Å; S63-V65 PolarHBondContact O-N 3.47Å
64	S	39.1	Very low	39.7	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	79%	0.792	S	S	*	*			trans	-59.5	98.2	174.2	58.6	0	0	0	0	109.8	F62 Q66	F62-S64 PolarHBondContact O-N 3.05Å; S64-Q66 PolarHBondContact O-N 3.02Å
65	V	46.1	Very low	40.6	Very low	120 Å²	120	147.1 Å²	147.1	73%	0.727	79%	0.792	S	S	*	*			trans	-69.7	111.3	162.1	178.2	0	0	0	0	106.1	S63	S63-V65 PolarHBondContact O-N 3.47Å
66	Q	38.8	Very low	41.8	Very low	164 Å²	164	150.4 Å²	150.4	77%	0.766	79%	0.788	S	S	*	*			trans	-56.5	141.8	174.8	-74.2	-174.9	-31.8	0	0	109.9	S64 T68	S64-Q66 PolarHBondContact O-N 3.02Å; Q66-T68 PolarHBondContact O-N 2.9Å
67	P	44.6	Very low	43.8	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	78%	0.782	S	S	*	*			trans	-63.5	110.7	178.5	-14	27	0	0	0	109.4	R69	P67-R69 PolarHBondContact O-N 2.94Å; P67-R69 VanDerWaalsContact O-N 3.1Å
68	T	39.6	Very low	45.7	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	77%	0.77	S	S	*	*			trans	-57	116.1	157.3	13.8	0	0	0	0	106.4	Q66 S70	Q66-T68 PolarHBondContact O-N 2.9Å; T68-S70 VanDerWaalsContact C-N 3.32Å; T68-S70 PolarHBondContact O-N 3Å
69	R	41.6	Very low	47.7	Very low	250 Å²	250	140 Å²	140	94%	0.943	75%	0.752	S	S	*	*			trans	-48.7	96.5	174.1	-68.3	173.4	174.7	171.7	-2.6	108.6	P67 S71	P67-R69 PolarHBondContact O-N 2.94Å; P67-R69 VanDerWaalsContact O-N 3.1Å; R69-S71 PolarHBondContact O-N 3.33Å; R69-S71 VanDerWaalsContact O-N 3.16Å
70	S	44	Very low	49.5	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	73%	0.725	S	S	*	*			trans	-61	119.3	164.5	51.8	0	0	0	0	105.9	T68	T68-S70 VanDerWaalsContact C-N 3.32Å; T68-S70 PolarHBondContact O-N 3Å
71	S	46.2	Very low	51.1	Low	102 Å²	102	134.4 Å²	134.4	71%	0.713	72%	0.715	S	S	*	*			trans	-37.8	135.4	163.5	-162.6	0	0	0	0	108.8	R69 D73	R69-S71 PolarHBondContact O-N 3.33Å; R69-S71 VanDerWaalsContact O-N 3.16Å; S71-D73 PolarHBondContact O-N 3.41Å
72	P	48	Very low	52.9	Low	110 Å²	110	134.2 Å²	134.2	71%	0.714	71%	0.707	S	S	*	*			trans	-52	120.9	-178	22.2	-31.8	0	0	0	107.2	K74	P72-K74 PolarHBondContact O-N 2.81Å
73	D	47.7	Very low	54.7	Low	148 Å²	148	130.9 Å²	130.9	79%	0.791	69%	0.694	S	S	*	*			trans	-54.9	92.1	173.6	-162.2	9.3	0	0	0	105.1	S71 Q75	S71-D73 PolarHBondContact O-N 3.41Å; D73-Q75 PolarHBondContact O-N 2.7Å
74	K	49	Very low	56.7	Low	180 Å²	180	128.3 Å²	128.3	78%	0.783	67%	0.67	S	S	*	*			trans	-62.5	92.8	164.9	-78.4	-174	179.7	-175	0	101.5	P72 R76	P72-K74 PolarHBondContact O-N 2.81Å; K74-R76 PolarHBondContact O-N 2.94Å
75	Q	48.9	Very low	59.1	Low	170 Å²	170	125.5 Å²	125.5	79%	0.794	66%	0.658	S	S	*	*			trans	-44.2	99.3	155.4	-83.9	175.8	-14.5	0	0	103.8	D73 T77	D73-Q75 PolarHBondContact O-N 2.7Å; Q75-T77 PolarHBondContact O-N 2.88Å
76	R	62.2	Low	61.2	Low	187 Å²	187	125.7 Å²	125.7	71%	0.706	65%	0.649	S	S	*	*			trans	-62.7	101.1	173.9	-77.5	177.5	173.8	162.4	-7.1	102.4	K74 E118	K74-R76 PolarHBondContact O-N 2.94Å; R76-E118 IonicContact CZ-OE2 3.83Å; R76-E118 IonicContact NH1-OE1 2.58Å; R76-E118 IonicContact NH1-OE2 3.84Å; R76-E118 PolarHBondContact NH1-OE2 3.44Å
77	T	70.1	Confident	63.9	Low	114 Å²	114	118.6 Å²	118.6	70%	0.699	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-51	133.3	170.3	30.6	0	0	0	0	106.7	Q75 V79	Q75-T77 PolarHBondContact O-N 2.88Å; T77-V79 PolarHBondContact O-N 2.86Å
78	P	70.2	Confident	66.2	Low	93 Å²	93	117 Å²	117	60%	0.604	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-49.8	118.1	178.7	-25.2	32.3	0	0	0	108.7	P80	P78-P80 WeakPolarHBondContact O-CD 3.22Å
79	V	76.8	Confident	68.9	Low	60 Å²	60	117.1 Å²	117.1	36%	0.364	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-69.1	125.9	-175.4	-169.2	0	0	0	0	106.9	T77 F81 E83 R84 D119	T77-V79 PolarHBondContact O-N 2.86Å; V79-F81 PolarHBondContact O-N 2.82Å; V79-E83 HydrophobicContact CG1-CB 3.93Å; V79-R84 HydrophobicContact CB-CG 4.32Å; V79-R84 HydrophobicContact CG1-CG 4.25Å; V79-R84 PolarHBondContact O-NE 3.07Å; V79-R84 PolarHBondContact O-NH2 3.33Å; V79-D119 PolarHBondContact N-OD2 2.85Å
80	P	73.8	Confident	71.5	Confident	46 Å²	46	109.9 Å²	109.9	30%	0.299	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-54.8	142.4	177.8	-23.2	32.1	0	0	0	110.9	P78 Y82 E83	P78-P80 WeakPolarHBondContact O-CD 3.22Å; P80-Y82 HydrophobicContact CB-CD1 3.79Å; P80-Y82 HydrophobicContact CB-CE1 3.26Å; P80-Y82 HydrophobicContact CB-CE2 4.2Å; P80-Y82 HydrophobicContact CB-CG 4.44Å; P80-Y82 VanDerWaalsContact CB-CZ 3.46Å; P80-Y82 HydrophobicContact CG-CE1 4.16Å; P80-Y82 PolarHBondContact O-N 2.9Å; P80-Y82 VanDerWaalsContact O-N 3.16Å; P80-E83 HydrophobicContact CB-CG 4.4Å; P80-E83 PolarHBondContact O-N 3.11Å
81	F	71	Confident	73.9	Confident	132 Å²	132	107.1 Å²	107.1	58%	0.579	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-51.3	-42.2	-176.5	162.5	-119.2	0	0	0	113	V79 E83 R84 Y222	V79-F81 PolarHBondContact O-N 2.82Å; F81-E83 PolarHBondContact O-N 2.92Å; F81-E83 VanDerWaalsContact O-N 3.15Å; F81-R84 PolarHBondContact O-N 3.01Å; F81-Y222 HydrophobicContact CD2-CE1 4.44Å; F81-Y222 AromaticContact CD2-CE2 3.73Å; F81-Y222 HydrophobicContact CD2-CE2 3.73Å; F81-Y222 AromaticContact CD2-CZ 3.45Å; F81-Y222 VanDerWaalsContact CD2-CZ 3.45Å; F81-Y222 WeakPolarHBondContact CD2-OH 3.48Å; F81-Y222 HydrophobicContact CE2-CE2 4.45Å; F81-Y222 AromaticContact CE2-CZ 3.77Å; F81-Y222 WeakPolarHBondContact CE2-OH 3.35Å
82	Y	71.8	Confident	76.4	Confident	179 Å²	179	102.3 Å²	102.3	70%	0.702	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-67	-13.7	-177.2	60.7	-96.7	0	0	0	113.9	P80	P80-Y82 HydrophobicContact CB-CD1 3.79Å; P80-Y82 HydrophobicContact CB-CE1 3.26Å; P80-Y82 HydrophobicContact CB-CE2 4.2Å; P80-Y82 HydrophobicContact CB-CG 4.44Å; P80-Y82 VanDerWaalsContact CB-CZ 3.46Å; P80-Y82 HydrophobicContact CG-CE1 4.16Å; P80-Y82 PolarHBondContact O-N 2.9Å; P80-Y82 VanDerWaalsContact O-N 3.16Å
83	E	78.9	Confident	78.7	Confident	120 Å²	120	100.1 Å²	100.1	56%	0.561	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-96.4	-15.4	-179.5	-61.1	-176.2	177.6	0	0	113.7	V79 P80 F81 G85	V79-E83 HydrophobicContact CG1-CB 3.93Å; P80-E83 HydrophobicContact CB-CG 4.4Å; P80-E83 PolarHBondContact O-N 3.11Å; F81-E83 PolarHBondContact O-N 2.92Å; F81-E83 VanDerWaalsContact O-N 3.15Å; E83-G85 PolarHBondContact O-N 2.85Å
84	R	83	Confident	81	Confident	41 Å²	41	97 Å²	97	16%	0.155	47%	0.469	C	S	.	.	S	Bend	trans	-73.2	-9.4	-175.6	-68	-174.6	-150.2	-115.6	0.9	114.3	V79 F81 D119 A217	V79-R84 HydrophobicContact CB-CG 4.32Å; V79-R84 HydrophobicContact CG1-CG 4.25Å; V79-R84 PolarHBondContact O-NE 3.07Å; V79-R84 PolarHBondContact O-NH2 3.33Å; F81-R84 PolarHBondContact O-N 3.01Å; R84-D119 IonicContact CZ-OD1 3.8Å; R84-D119 IonicContact CZ-OD2 3.01Å; R84-D119 VanDerWaalsContact CZ-OD2 3.31Å; R84-D119 VanDerWaalsContact NH1-CG 3.34Å; R84-D119 IonicContact NH1-OD1 2.86Å; R84-D119 PolarHBondContact NH1-OD1 3.37Å; R84-D119 IonicContact NH1-OD2 3.94Å; R84-D119 PolarHBondContact NH1-OD2 2.9Å; R84-D119 IonicContact NH2-OD1 3.66Å; R84-D119 IonicContact NH2-OD2 2.89Å; R84-D119 PolarHBondContact NH2-OD2 2.76Å; R84-A217 WeakPolarHBondContact O-CB 3.32Å; R84-A217 PolarHBondContact O-N 3.31Å
85	G	89.2	Confident	83.3	Confident	50 Å²	50	88.4 Å²	88.4	52%	0.515	43%	0.432	S	S	.	.			trans	69.4	176.4	-179.7	0	0	0	0	0	114	E83	E83-G85 PolarHBondContact O-N 2.85Å
86	K	91	Very high	85.7	Confident	125 Å²	125	81.2 Å²	81.2	54%	0.543	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-90.8	133.5	-177.9	-166.1	171.4	-177.8	-179.3	0	110.7	V166 D167	K86-V166 WeakPolarHBondContact CE-O 3.22Å; K86-V166 PolarHBondContact NZ-O 3.4Å; K86-D167 WeakPolarHBondContact CE-O 3.18Å
87	P	94.2	Very high	87.3	Confident	14 Å²	14	79.3 Å²	79.3	9%	0.091	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-69.4	153.5	177.3	27.9	-34.7	0	0	0	112.3	L92 V215 G216	P87-L92 HydrophobicContact CB-CD2 4.22Å; P87-L92 HydrophobicContact CB-CG 4.25Å; P87-L92 HydrophobicContact CG-CD1 4.33Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.1Å; P87-V215 HydrophobicContact CB-CB 4.24Å; P87-V215 HydrophobicContact CB-CG1 4.02Å; P87-V215 WeakPolarHBondContact CD-O 3.34Å; P87-V215 HydrophobicContact CG-CB 4.24Å; P87-G216 WeakPolarHBondContact CB-O 3.42Å
88	N	94.1	Very high	88.6	Confident	91 Å²	91	76.5 Å²	76.5	49%	0.487	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-74	151.3	166.8	-172.6	-2.3	0	0	0	110.1	D90 Q91 L92	N88-D90 PolarHBondContact ND2-OD2 3.28Å; N88-D90 PolarHBondContact O-N 3.47Å; N88-Q91 HydrophobicContact CB-CG 4.27Å; N88-Q91 WeakPolarHBondContact O-CB 3.39Å; N88-Q91 PolarHBondContact O-N 3Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; N88-L92 PolarHBondContact O-N 3.48Å; N88-L92 VanDerWaalsContact O-N 3.14Å
89	W	95.4	Very high	89.8	Confident	138 Å²	138	72.1 Å²	72.1	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-54	-41	173.3	-176.3	87	0	0	0	112.3	Q91 L92 Q93	W89-Q91 VanDerWaalsContact C-N 3.29Å; W89-Q91 PolarHBondContact O-N 3.26Å; W89-L92 WeakPolarHBondContact O-CB 3.31Å; W89-L92 PolarHBondContact O-N 3.07Å; W89-L92 VanDerWaalsContact O-N 3.15Å; W89-Q93 HydrophobicContact CD2-CG 3.78Å; W89-Q93 HydrophobicContact CE3-CG 3.76Å; W89-Q93 HydrophobicContact CH2-CG 3.54Å; W89-Q93 HydrophobicContact CZ2-CG 3.54Å; W89-Q93 HydrophobicContact CZ3-CG 3.65Å; W89-Q93 WeakPolarHBondContact O-CG 3.26Å; W89-Q93 PolarHBondContact O-N 3.07Å
90	D	96	Very high	90.8	Very high	98 Å²	98	72.2 Å²	72.2	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-37	177.7	-61.8	-43.8	0	0	0	112.5	N88 Q93 H94	N88-D90 PolarHBondContact ND2-OD2 3.28Å; N88-D90 PolarHBondContact O-N 3.47Å; D90-Q93 PolarHBondContact O-N 2.67Å; D90-H94 PolarHBondContact O-N 3.44Å
91	Q	95.7	Very high	91.8	Very high	52 Å²	52	75.1 Å²	75.1	24%	0.243	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-41.2	176.5	-67.2	170	-31.5	0	0	110.8	N88 W89 Q93 H94 V95 A217 G219	N88-Q91 HydrophobicContact CB-CG 4.27Å; N88-Q91 WeakPolarHBondContact O-CB 3.39Å; N88-Q91 PolarHBondContact O-N 3Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; W89-Q91 VanDerWaalsContact C-N 3.29Å; W89-Q91 PolarHBondContact O-N 3.26Å; Q91-Q93 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3Å; Q91-H94 WeakPolarHBondContact O-CB 3.33Å; Q91-H94 PolarHBondContact O-N 2.97Å; Q91-V95 WeakPolarHBondContact O-CG2 3.35Å; Q91-V95 PolarHBondContact O-N 3.45Å; Q91-A217 PolarHBondContact NE2-O 3.31Å; Q91-A217 PolarHBondContact OE1-O 2.97Å; Q91-G219 VanDerWaalsContact CD-CA 3.5Å
92	L	96.8	Very high	93	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-41.9	174.3	-65.4	174.7	0	0	0	111.5	P87 N88 W89 H94 V95 I96 P164 V166 V171 V215	P87-L92 HydrophobicContact CB-CD2 4.22Å; P87-L92 HydrophobicContact CB-CG 4.25Å; P87-L92 HydrophobicContact CG-CD1 4.33Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.1Å; N88-L92 PolarHBondContact O-N 3.48Å; N88-L92 VanDerWaalsContact O-N 3.14Å; W89-L92 WeakPolarHBondContact O-CB 3.31Å; W89-L92 PolarHBondContact O-N 3.07Å; W89-L92 VanDerWaalsContact O-N 3.15Å; L92-H94 VanDerWaalsContact C-N 3.34Å; L92-V95 PolarHBondContact O-N 2.84Å; L92-I96 WeakPolarHBondContact O-CG1 3.36Å; L92-I96 PolarHBondContact O-N 3.06Å; L92-P164 HydrophobicContact CB-CB 4.29Å; L92-P164 HydrophobicContact CD1-CB 4.34Å; L92-V166 HydrophobicContact CD1-CG2 4.26Å; L92-V171 HydrophobicContact CD2-CG2 3.97Å; L92-V215 HydrophobicContact CD2-CB 3.93Å; L92-V215 HydrophobicContact CD2-CG1 4.49Å; L92-V215 HydrophobicContact CD2-CG2 3.85Å
93	Q	97.4	Very high	94.1	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-39.9	174.6	-68.9	-54.4	-50.4	0	0	112.1	W89 D90 Q91 V95 I96 Y97	W89-Q93 HydrophobicContact CD2-CG 3.78Å; W89-Q93 HydrophobicContact CE3-CG 3.76Å; W89-Q93 HydrophobicContact CH2-CG 3.54Å; W89-Q93 HydrophobicContact CZ2-CG 3.54Å; W89-Q93 HydrophobicContact CZ3-CG 3.65Å; W89-Q93 WeakPolarHBondContact O-CG 3.26Å; W89-Q93 PolarHBondContact O-N 3.07Å; D90-Q93 PolarHBondContact O-N 2.67Å; Q91-Q93 VanDerWaalsContact C-N 3.35Å; Q91-Q93 PolarHBondContact O-N 3Å; Q93-V95 VanDerWaalsContact C-N 3.33Å; Q93-V95 PolarHBondContact O-N 3.41Å; Q93-I96 PolarHBondContact O-N 3.14Å; Q93-Y97 WeakPolarHBondContact O-CB 3.49Å; Q93-Y97 PolarHBondContact O-N 2.98Å
94	H	96.6	Very high	94.9	Very high	83 Å²	83	58 Å²	58	38%	0.384	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-46.5	174.8	-174.9	68.3	0	0	0	111.6	D90 Q91 L92 Y97 R98	D90-H94 PolarHBondContact O-N 3.44Å; Q91-H94 WeakPolarHBondContact O-CB 3.33Å; Q91-H94 PolarHBondContact O-N 2.97Å; L92-H94 VanDerWaalsContact C-N 3.34Å; H94-Y97 PolarHBondContact O-N 3.3Å; H94-R98 PolarHBondContact CE1-NE 2.81Å; H94-R98 PolarHBondContact NE2-NH2 3.09Å; H94-R98 WeakPolarHBondContact O-CG 3.38Å; H94-R98 PolarHBondContact O-N 2.84Å
95	V	97.2	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-44.1	176.9	174.3	0	0	0	0	111	Q91 L92 Q93 Y97 R98 L99 F115 V171 V215 V221	Q91-V95 WeakPolarHBondContact O-CG2 3.35Å; Q91-V95 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 2.84Å; Q93-V95 VanDerWaalsContact C-N 3.33Å; Q93-V95 PolarHBondContact O-N 3.41Å; V95-Y97 VanDerWaalsContact C-N 3.34Å; V95-Y97 PolarHBondContact O-N 3.05Å; V95-R98 PolarHBondContact O-N 3.12Å; V95-L99 HydrophobicContact CG1-CD1 3.72Å; V95-L99 HydrophobicContact CG1-CG 4.12Å; V95-L99 WeakPolarHBondContact O-CB 3.24Å; V95-L99 VanDerWaalsContact O-CG 3.23Å; V95-L99 WeakPolarHBondContact O-CG 3.29Å; V95-L99 PolarHBondContact O-N 3.29Å; V95-F115 HydrophobicContact CG1-CD2 4.41Å; V95-F115 HydrophobicContact CG1-CE2 4.34Å; V95-F115 HydrophobicContact CG2-CD2 4.4Å; V95-V171 HydrophobicContact CB-CG2 4.31Å; V95-V171 HydrophobicContact CG1-CB 4.39Å; V95-V171 HydrophobicContact CG1-CG2 4.02Å; V95-V215 HydrophobicContact CB-CG2 4.47Å; V95-V215 HydrophobicContact CG1-CG2 4.37Å; V95-V215 HydrophobicContact CG2-CG1 4.34Å; V95-V215 HydrophobicContact CG2-CG2 4.02Å; V95-V221 HydrophobicContact CG1-CG2 4.03Å; V95-V221 HydrophobicContact CG2-CG2 4.27Å
96	I	97.5	Very high	95.8	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-48	175.4	-72.5	165.2	0	0	0	111.3	L92 Q93 L99 N100 P164 V171	L92-I96 WeakPolarHBondContact O-CG1 3.36Å; L92-I96 PolarHBondContact O-N 3.06Å; Q93-I96 PolarHBondContact O-N 3.14Å; I96-L99 PolarHBondContact O-N 3.36Å; I96-N100 WeakPolarHBondContact CG2-ND2 3.29Å; I96-N100 PolarHBondContact O-N 3.48Å; I96-N100 PolarHBondContact O-ND2 3.29Å; I96-P164 HydrophobicContact CD1-CB 3.75Å; I96-P164 VanDerWaalsContact CD1-CD 3.47Å; I96-P164 HydrophobicContact CD1-CG 3.57Å; I96-V171 HydrophobicContact CD1-CG1 4.46Å; I96-V171 HydrophobicContact CG1-CG1 3.58Å; I96-V171 HydrophobicContact CG1-CG2 4.13Å
97	Y	97.2	Very high	96	Very high	146 Å²	146	55 Å²	55	57%	0.573	25%	0.253	S	S	*	.	H	α-helix	trans	-59	-50	178.9	174.6	-101.2	0	0	0	111	Q93 H94 V95 L99 N100 E101	Q93-Y97 WeakPolarHBondContact O-CB 3.49Å; Q93-Y97 PolarHBondContact O-N 2.98Å; H94-Y97 PolarHBondContact O-N 3.3Å; V95-Y97 VanDerWaalsContact C-N 3.34Å; V95-Y97 PolarHBondContact O-N 3.05Å; Y97-L99 PolarHBondContact O-N 3.18Å; Y97-N100 PolarHBondContact O-N 3.22Å; Y97-E101 HydrophobicContact CE1-CG 4.38Å; Y97-E101 HydrophobicContact CE2-CG 4.27Å; Y97-E101 WeakPolarHBondContact O-CG 3.4Å; Y97-E101 PolarHBondContact O-N 3.4Å; Y97-E101 VanDerWaalsContact O-N 3.11Å
98	R	96.3	Very high	95.9	Very high	56 Å²	56	58 Å²	58	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-40.3	177.9	-67.5	-60.1	-159.9	82	13.7	112.6	H94 V95 E101 T102 D112 T114 F115	H94-R98 PolarHBondContact CE1-NE 2.81Å; H94-R98 PolarHBondContact NE2-NH2 3.09Å; H94-R98 WeakPolarHBondContact O-CG 3.38Å; H94-R98 PolarHBondContact O-N 2.84Å; V95-R98 PolarHBondContact O-N 3.12Å; R98-E101 PolarHBondContact O-N 2.88Å; R98-T102 VanDerWaalsContact O-CB 3.28Å; R98-T102 WeakPolarHBondContact O-CB 3.3Å; R98-T102 WeakPolarHBondContact O-CG2 3.3Å; R98-T102 PolarHBondContact O-N 3.04Å; R98-T102 PolarHBondContact O-OG1 3.2Å; R98-D112 IonicContact CZ-OD2 3.86Å; R98-D112 VanDerWaalsContact NH1-CG 3.32Å; R98-D112 IonicContact NH1-OD1 3.99Å; R98-D112 PolarHBondContact NH1-OD1 2.9Å; R98-D112 IonicContact NH1-OD2 2.87Å; R98-D112 PolarHBondContact NH1-OD2 3.21Å; R98-T114 PolarHBondContact NH1-OG1 2.72Å; R98-F115 HydrophobicContact CB-CD1 3.86Å; R98-F115 HydrophobicContact CB-CE1 3.71Å; R98-F115 HydrophobicContact CB-CG 4.41Å; R98-F115 HydrophobicContact CB-CZ 4.12Å; R98-F115 HydrophobicContact CG-CD1 4.08Å; R98-F115 HydrophobicContact CG-CE1 4.4Å
99	L	96.8	Very high	95.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-44.7	178.1	-72.8	173.1	0	0	0	111.6	V95 I96 Y97 E101 T102 V103 F115 V171 F213	V95-L99 HydrophobicContact CG1-CD1 3.72Å; V95-L99 HydrophobicContact CG1-CG 4.12Å; V95-L99 WeakPolarHBondContact O-CB 3.24Å; V95-L99 VanDerWaalsContact O-CG 3.23Å; V95-L99 WeakPolarHBondContact O-CG 3.29Å; V95-L99 PolarHBondContact O-N 3.29Å; I96-L99 PolarHBondContact O-N 3.36Å; Y97-L99 PolarHBondContact O-N 3.18Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 3.48Å; L99-T102 PolarHBondContact O-N 3.21Å; L99-V103 HydrophobicContact CB-CG2 4.42Å; L99-V103 HydrophobicContact CD2-CG2 4.19Å; L99-V103 WeakPolarHBondContact O-CB 3.18Å; L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.96Å; L99-F115 HydrophobicContact CD2-CE2 4.13Å; L99-F115 HydrophobicContact CD2-CZ 4.02Å; L99-F115 HydrophobicContact CG-CE2 4.42Å; L99-F115 HydrophobicContact CG-CZ 4.47Å; L99-V171 HydrophobicContact CD1-CB 4.41Å; L99-V171 HydrophobicContact CD1-CG1 3.81Å; L99-F213 HydrophobicContact CD1-CD2 3.51Å; L99-F213 HydrophobicContact CD1-CE2 3.68Å; L99-F213 HydrophobicContact CD1-CG 4.01Å; L99-F213 HydrophobicContact CD1-CZ 4.31Å; L99-F213 HydrophobicContact CD2-CD1 4.32Å; L99-F213 HydrophobicContact CD2-CD2 4.26Å; L99-F213 HydrophobicContact CD2-CE1 3.86Å; L99-F213 HydrophobicContact CD2-CE2 3.78Å; L99-F213 HydrophobicContact CD2-CZ 3.56Å; L99-F213 HydrophobicContact CG-CE2 4.4Å
100	N	96.5	Very high	95.6	Very high	62 Å²	62	63.4 Å²	63.4	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-36	177.8	-79.8	-77.5	0	0	0	112.5	I96 Y97 P104	I96-N100 WeakPolarHBondContact CG2-ND2 3.29Å; I96-N100 PolarHBondContact O-N 3.48Å; I96-N100 PolarHBondContact O-ND2 3.29Å; Y97-N100 PolarHBondContact O-N 3.22Å; N100-P104 WeakPolarHBondContact O-CD 3.5Å; N100-P104 VanDerWaalsContact O-CG 3.27Å; N100-P104 WeakPolarHBondContact O-CG 3.37Å
101	E	95.4	Very high	95.3	Very high	107 Å²	107	60.4 Å²	60.4	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-72.7	-41.4	176	-72.9	-62.9	119.2	0	0	112.3	Y97 R98 L99	Y97-E101 HydrophobicContact CE1-CG 4.38Å; Y97-E101 HydrophobicContact CE2-CG 4.27Å; Y97-E101 WeakPolarHBondContact O-CG 3.4Å; Y97-E101 PolarHBondContact O-N 3.4Å; Y97-E101 VanDerWaalsContact O-N 3.11Å; R98-E101 PolarHBondContact O-N 2.88Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 3.48Å
102	T	95.3	Very high	95.2	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.129	27%	0.273	C	S	.	.	H	α-helix	trans	-89.8	-37.8	-166.7	56.1	0	0	0	0	113.9	R98 L99 W105 F106 D112	R98-T102 VanDerWaalsContact O-CB 3.28Å; R98-T102 WeakPolarHBondContact O-CB 3.3Å; R98-T102 WeakPolarHBondContact O-CG2 3.3Å; R98-T102 PolarHBondContact O-N 3.04Å; R98-T102 PolarHBondContact O-OG1 3.2Å; L99-T102 PolarHBondContact O-N 3.21Å; T102-W105 PolarHBondContact O-N 3.32Å; T102-F106 PolarHBondContact O-N 3.32Å; T102-D112 HydrophobicContact CG2-CB 3.52Å
103	V	96	Very high	95	Very high	11 Å²	11	61.7 Å²	61.7	7%	0.067	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62	-43.4	-173.9	166.9	0	0	0	0	112.6	L99 W105 F106 M157 V159 L173 W175	L99-V103 HydrophobicContact CB-CG2 4.42Å; L99-V103 HydrophobicContact CD2-CG2 4.19Å; L99-V103 WeakPolarHBondContact O-CB 3.18Å; L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.96Å; V103-W105 PolarHBondContact O-N 3.03Å; V103-W105 VanDerWaalsContact O-N 3.15Å; V103-F106 VanDerWaalsContact O-CB 3.25Å; V103-F106 WeakPolarHBondContact O-CB 3.4Å; V103-F106 PolarHBondContact O-N 2.88Å; V103-F106 VanDerWaalsContact O-N 3.13Å; V103-M157 HydrophobicContact CG1-CE 3.66Å; V103-M157 HydrophobicContact CG1-CG 3.93Å; V103-M157 HydrophobicContact CG1-SD 4.45Å; V103-M157 WeakPolarHBondContact O-CB 3.46Å; V103-M157 WeakPolarHBondContact O-CE 3.26Å; V103-V159 HydrophobicContact CB-CG2 3.85Å; V103-V159 HydrophobicContact CG1-CG2 3.59Å; V103-L173 HydrophobicContact CB-CD2 4.39Å; V103-L173 HydrophobicContact CG1-CD2 4.16Å; V103-L173 HydrophobicContact CG2-CD2 3.61Å; V103-W175 HydrophobicContact CG1-CB 4.39Å
104	P	95.9	Very high	94.9	Very high	40 Å²	40	63.3 Å²	63.3	26%	0.26	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-58.5	-29.4	177.9	-26.2	36.2	0	0	0	113.9	N100 Q108 M157 V159	N100-P104 WeakPolarHBondContact O-CD 3.5Å; N100-P104 VanDerWaalsContact O-CG 3.27Å; N100-P104 WeakPolarHBondContact O-CG 3.37Å; P104-Q108 PolarHBondContact O-OE1 3.05Å; P104-M157 VanDerWaalsContact CA-O 3.32Å; P104-M157 WeakPolarHBondContact CA-O 3.37Å; P104-V159 HydrophobicContact CG-CG2 4.19Å
105	W	95.2	Very high	94.8	Very high	115 Å²	115	59.6 Å²	59.6	44%	0.436	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-92.3	6.4	-178.3	-57.1	112.5	0	0	0	114.5	T102 V103 F107 Q108 R109	T102-W105 PolarHBondContact O-N 3.32Å; V103-W105 PolarHBondContact O-N 3.03Å; V103-W105 VanDerWaalsContact O-N 3.15Å; W105-F107 PolarHBondContact O-N 3.47Å; W105-Q108 VanDerWaalsContact C-OE1 3.23Å; W105-Q108 VanDerWaalsContact CA-OE1 3.23Å; W105-Q108 HydrophobicContact CE3-CB 4.32Å; W105-Q108 PolarHBondContact O-N 3.22Å; W105-Q108 PolarHBondContact O-OE1 3.36Å; W105-R109 HydrophobicContact CB-CB 4.02Å; W105-R109 HydrophobicContact CB-CG 4.17Å; W105-R109 PolarHBondContact O-N 2.86Å
106	F	95.2	Very high	94.8	Very high	25 Å²	25	60.5 Å²	60.5	11%	0.11	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.8	-171.7	179	-83.8	0	0	0	114.7	T102 V103 L111 L141 L144 T145 M157	T102-F106 PolarHBondContact O-N 3.32Å; V103-F106 VanDerWaalsContact O-CB 3.25Å; V103-F106 WeakPolarHBondContact O-CB 3.4Å; V103-F106 PolarHBondContact O-N 2.88Å; V103-F106 VanDerWaalsContact O-N 3.13Å; F106-L111 HydrophobicContact CB-CD2 4.06Å; F106-L111 HydrophobicContact CD2-CD1 3.41Å; F106-L111 VanDerWaalsContact CD2-CD1 3.41Å; F106-L111 HydrophobicContact CD2-CD2 3.54Å; F106-L111 HydrophobicContact CD2-CG 4.03Å; F106-L111 HydrophobicContact CE2-CD1 3.36Å; F106-L111 HydrophobicContact CE2-CD2 4.34Å; F106-L111 HydrophobicContact CE2-CG 4.44Å; F106-L111 HydrophobicContact CG-CD1 4.26Å; F106-L111 HydrophobicContact CG-CD2 4.13Å; F106-L111 HydrophobicContact CZ-CD1 4.21Å; F106-L141 HydrophobicContact CE2-CD2 3.96Å; F106-L141 HydrophobicContact CZ-CD2 4.11Å; F106-L144 HydrophobicContact CZ-CB 4.48Å; F106-T145 PolarHBondContact O-OG1 2.62Å; F106-T145 VanDerWaalsContact O-OG1 3.09Å; F106-M157 HydrophobicContact CB-CE 3.27Å; F106-M157 HydrophobicContact CB-SD 4.46Å; F106-M157 HydrophobicContact CD1-CE 3.97Å; F106-M157 HydrophobicContact CD2-CE 3.67Å; F106-M157 HydrophobicContact CG-CE 3.38Å
107	F	94.6	Very high	94.7	Very high	13 Å²	13	59.7 Å²	59.7	6%	0.057	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-13.4	-179.7	-63.5	-73	0	0	0	113.9	W105 T145 Y148 R149 I155 M157 A177	W105-F107 PolarHBondContact O-N 3.47Å; F107-T145 HydrophobicContact CD1-CG2 4.41Å; F107-Y148 HydrophobicContact CE1-CD2 4.17Å; F107-Y148 HydrophobicContact CE1-CG 4.35Å; F107-R149 WeakPolarHBondContact O-CD 3.5Å; F107-I155 HydrophobicContact CB-CG1 4.39Å; F107-I155 HydrophobicContact CB-CG2 3.71Å; F107-I155 HydrophobicContact CD1-CD1 3.66Å; F107-I155 HydrophobicContact CD1-CG1 4.25Å; F107-I155 HydrophobicContact CD1-CG2 4.41Å; F107-I155 HydrophobicContact CD2-CD1 3.77Å; F107-I155 HydrophobicContact CD2-CG1 3.61Å; F107-I155 HydrophobicContact CE1-CD1 3.57Å; F107-I155 HydrophobicContact CE1-CG1 4.47Å; F107-I155 HydrophobicContact CE2-CD1 3.66Å; F107-I155 HydrophobicContact CE2-CG1 3.85Å; F107-I155 HydrophobicContact CG-CD1 3.76Å; F107-I155 HydrophobicContact CG-CG1 3.82Å; F107-I155 HydrophobicContact CG-CG2 3.99Å; F107-I155 HydrophobicContact CZ-CD1 3.56Å; F107-I155 HydrophobicContact CZ-CG1 4.28Å; F107-M157 HydrophobicContact CD2-CB 4.14Å; F107-M157 HydrophobicContact CE2-CB 4.16Å; F107-M157 HydrophobicContact CE2-SD 3.96Å; F107-A177 HydrophobicContact CE2-CB 4.38Å
108	Q	92.7	Very high	94.6	Very high	78 Å²	78	58.8 Å²	58.8	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-31.4	-173.2	-56.4	80.9	13.5	0	0	113.2	P104 W105 I155	P104-Q108 PolarHBondContact O-OE1 3.05Å; W105-Q108 VanDerWaalsContact C-OE1 3.23Å; W105-Q108 VanDerWaalsContact CA-OE1 3.23Å; W105-Q108 HydrophobicContact CE3-CB 4.32Å; W105-Q108 PolarHBondContact O-N 3.22Å; W105-Q108 PolarHBondContact O-OE1 3.36Å; Q108-I155 PolarHBondContact NE2-O 3.49Å
109	R	92.7	Very high	94.5	Very high	158 Å²	158	58 Å²	58	60%	0.596	28%	0.278	S	S	*	.	S	Bend	trans	-127.6	168.5	-176	-61.1	-177.9	174.9	176.5	-1.4	111.2	W105	W105-R109 HydrophobicContact CB-CB 4.02Å; W105-R109 HydrophobicContact CB-CG 4.17Å; W105-R109 PolarHBondContact O-N 2.86Å
110	Q	90.5	Very high	94.5	Very high	184 Å²	184	58 Å²	58	86%	0.86	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-67.7	138.5	171	-64.8	179.2	-1.5	0	0	109.8
111	L	90.3	Very high	94.5	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.183	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-76.2	135.4	178	-69.6	163.8	0	0	0	110.3	F106 L113 L141	F106-L111 HydrophobicContact CB-CD2 4.06Å; F106-L111 HydrophobicContact CD2-CD1 3.41Å; F106-L111 VanDerWaalsContact CD2-CD1 3.41Å; F106-L111 HydrophobicContact CD2-CD2 3.54Å; F106-L111 HydrophobicContact CD2-CG 4.03Å; F106-L111 HydrophobicContact CE2-CD1 3.36Å; F106-L111 HydrophobicContact CE2-CD2 4.34Å; F106-L111 HydrophobicContact CE2-CG 4.44Å; F106-L111 HydrophobicContact CG-CD1 4.26Å; F106-L111 HydrophobicContact CG-CD2 4.13Å; F106-L111 HydrophobicContact CZ-CD1 4.21Å; L111-L113 HydrophobicContact CB-CD2 4.48Å; L111-L113 PolarHBondContact O-N 3.32Å; L111-L141 HydrophobicContact CD1-CB 3.86Å; L111-L141 HydrophobicContact CD1-CD1 3.79Å; L111-L141 HydrophobicContact CD1-CG 4.38Å
112	D	93.2	Very high	94.6	Very high	52 Å²	52	52.4 Å²	52.4	28%	0.278	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-77.1	116.4	170.9	-178	0.4	0	0	0	109.3	R98 T102 T114 F115	R98-D112 IonicContact CZ-OD2 3.86Å; R98-D112 VanDerWaalsContact NH1-CG 3.32Å; R98-D112 IonicContact NH1-OD1 3.99Å; R98-D112 PolarHBondContact NH1-OD1 2.9Å; R98-D112 IonicContact NH1-OD2 2.87Å; R98-D112 PolarHBondContact NH1-OD2 3.21Å; T102-D112 HydrophobicContact CG2-CB 3.52Å; D112-T114 WeakPolarHBondContact OD1-CB 3.5Å; D112-T114 VanDerWaalsContact OD1-CG2 3.28Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.5Å; D112-T114 PolarHBondContact OD1-N 3.22Å; D112-T114 PolarHBondContact OD1-OG1 3.45Å; D112-F115 VanDerWaalsContact O-CE1 3.27Å; D112-F115 WeakPolarHBondContact O-CE1 3.33Å
113	L	93.2	Very high	94.6	Very high	27 Å²	27	52 Å²	52	14%	0.141	25%	0.249	C	C	.	.			trans	-110.3	12.2	-179.2	-64.5	-174.8	0	0	0	113	L111 F115 Y116 L134 Y137 W138 L141	L111-L113 HydrophobicContact CB-CD2 4.48Å; L111-L113 PolarHBondContact O-N 3.32Å; L113-F115 PolarHBondContact O-N 3.18Å; L113-Y116 HydrophobicContact CB-CD2 4.25Å; L113-Y116 HydrophobicContact CD2-CD2 3.8Å; L113-Y116 HydrophobicContact CD2-CE2 3.68Å; L113-Y116 PolarHBondContact O-N 3.09Å; L113-L134 HydrophobicContact CB-CD1 4.28Å; L113-L134 HydrophobicContact CD1-CD1 4.32Å; L113-Y137 HydrophobicContact CD2-CD1 4.12Å; L113-Y137 HydrophobicContact CD2-CE1 3.72Å; L113-W138 HydrophobicContact CD1-CB 3.46Å; L113-W138 VanDerWaalsContact CD1-CB 3.46Å; L113-W138 HydrophobicContact CD1-CG 3.72Å; L113-L141 HydrophobicContact CD2-CD1 4.27Å
114	T	94.2	Very high	94.6	Very high	97 Å²	97	51.8 Å²	51.8	60%	0.595	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.1	-173.3	55.2	0	0	0	0	114.2	R98 D112	R98-T114 PolarHBondContact NH1-OG1 2.72Å; D112-T114 WeakPolarHBondContact OD1-CB 3.5Å; D112-T114 VanDerWaalsContact OD1-CG2 3.28Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.5Å; D112-T114 PolarHBondContact OD1-N 3.22Å; D112-T114 PolarHBondContact OD1-OG1 3.45Å
115	F	95.5	Very high	94.5	Very high	5 Å²	5	57 Å²	57	2%	0.022	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	14.2	-179.4	63.2	-86.8	0	0	0	113.6	V95 R98 L99 D112 L113 L220 V221	V95-F115 HydrophobicContact CG1-CD2 4.41Å; V95-F115 HydrophobicContact CG1-CE2 4.34Å; V95-F115 HydrophobicContact CG2-CD2 4.4Å; R98-F115 HydrophobicContact CB-CD1 3.86Å; R98-F115 HydrophobicContact CB-CE1 3.71Å; R98-F115 HydrophobicContact CB-CG 4.41Å; R98-F115 HydrophobicContact CB-CZ 4.12Å; R98-F115 HydrophobicContact CG-CD1 4.08Å; R98-F115 HydrophobicContact CG-CE1 4.4Å; L99-F115 HydrophobicContact CD2-CE2 4.13Å; L99-F115 HydrophobicContact CD2-CZ 4.02Å; L99-F115 HydrophobicContact CG-CE2 4.42Å; L99-F115 HydrophobicContact CG-CZ 4.47Å; D112-F115 VanDerWaalsContact O-CE1 3.27Å; D112-F115 WeakPolarHBondContact O-CE1 3.33Å; L113-F115 PolarHBondContact O-N 3.18Å; F115-L220 WeakPolarHBondContact O-CA 3.2Å; F115-V221 HydrophobicContact CD2-CG2 3.89Å; F115-V221 HydrophobicContact CE2-CG2 4.17Å; F115-V221 PolarHBondContact O-N 2.98Å
116	Y	96.8	Very high	94.4	Very high	19 Å²	19	53.8 Å²	53.8	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.4	175.7	-68.3	-95.6	0	0	0	111.1	L113 V120 L134 Y137 F213 V221	L113-Y116 HydrophobicContact CB-CD2 4.25Å; L113-Y116 HydrophobicContact CD2-CD2 3.8Å; L113-Y116 HydrophobicContact CD2-CE2 3.68Å; L113-Y116 PolarHBondContact O-N 3.09Å; Y116-V120 HydrophobicContact CD1-CG2 4.01Å; Y116-L134 HydrophobicContact CG-CD1 4.45Å; Y116-Y137 AromaticContact CD1-CE1 3.86Å; Y116-Y137 HydrophobicContact CD1-CE1 3.86Å; Y116-Y137 AromaticContact CE1-CE1 3.62Å; Y116-Y137 HydrophobicContact CE1-CE1 3.62Å; Y116-Y137 AromaticContact CE1-CZ 3.89Å; Y116-Y137 HydrophobicContact CE2-CE1 4.33Å; Y116-Y137 HydrophobicContact CG-CE1 4.29Å; Y116-Y137 AromaticContact CZ-CE1 3.88Å; Y116-Y137 PolarHBondContact OH-OH 2.87Å; Y116-F213 HydrophobicContact CE1-CD1 4.38Å; Y116-F213 HydrophobicContact CE1-CE1 4.43Å; Y116-F213 WeakPolarHBondContact OH-CE1 3.22Å; Y116-V221 HydrophobicContact CD1-CB 3.68Å; Y116-V221 HydrophobicContact CD1-CG1 3.72Å; Y116-V221 HydrophobicContact CE1-CB 4.02Å; Y116-V221 HydrophobicContact CE1-CG1 3.76Å; Y116-V221 HydrophobicContact CG-CB 4.3Å
117	A	95.2	Very high	94.1	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.9	172.8	0	0	0	0	0	111.1	D119 V120 L220 V221	A117-D119 WeakPolarHBondContact CB-OD1 2.97Å; A117-D119 PolarHBondContact O-N 3.24Å; A117-V120 WeakPolarHBondContact O-CB 3.39Å; A117-V120 PolarHBondContact O-N 3.32Å; A117-V120 VanDerWaalsContact O-N 3.16Å; A117-L220 HydrophobicContact CB-CB 4.19Å; A117-V221 PolarHBondContact N-O 2.88Å
118	E	95.6	Very high	94	Very high	126 Å²	126	58.4 Å²	58.4	59%	0.589	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	-32.1	177.6	-68.8	174.6	163.9	0	0	112.4	R76 G133 L134	R76-E118 IonicContact CZ-OE2 3.83Å; R76-E118 IonicContact NH1-OE1 2.58Å; R76-E118 IonicContact NH1-OE2 3.84Å; R76-E118 PolarHBondContact NH1-OE2 3.44Å; E118-G133 CarbonylContact O-C 3.53Å; E118-G133 WeakPolarHBondContact O-CA 3.28Å; E118-L134 WeakPolarHBondContact O-CB 3.49Å; E118-L134 PolarHBondContact O-N 3.2Å
119	D	94.2	Very high	94.1	Very high	40 Å²	40	56.9 Å²	56.9	21%	0.214	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	26.2	-179.6	70.3	-29.8	0	0	0	113.2	V79 R84 A117 L121	V79-D119 PolarHBondContact N-OD2 2.85Å; R84-D119 IonicContact CZ-OD1 3.8Å; R84-D119 IonicContact CZ-OD2 3.01Å; R84-D119 VanDerWaalsContact CZ-OD2 3.31Å; R84-D119 VanDerWaalsContact NH1-CG 3.34Å; R84-D119 IonicContact NH1-OD1 2.86Å; R84-D119 PolarHBondContact NH1-OD1 3.37Å; R84-D119 IonicContact NH1-OD2 3.94Å; R84-D119 PolarHBondContact NH1-OD2 2.9Å; R84-D119 IonicContact NH2-OD1 3.66Å; R84-D119 IonicContact NH2-OD2 2.89Å; R84-D119 PolarHBondContact NH2-OD2 2.76Å; A117-D119 WeakPolarHBondContact CB-OD1 2.97Å; A117-D119 PolarHBondContact O-N 3.24Å; D119-L121 PolarHBondContact O-N 2.92Å
120	V	95.9	Very high	94.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.2	-179.8	61.8	0	0	0	0	112.5	Y116 A117 G133 L134 Y137 Y222	Y116-V120 HydrophobicContact CD1-CG2 4.01Å; A117-V120 WeakPolarHBondContact O-CB 3.39Å; A117-V120 PolarHBondContact O-N 3.32Å; A117-V120 VanDerWaalsContact O-N 3.16Å; V120-G133 PolarHBondContact O-N 2.93Å; V120-L134 HydrophobicContact CG1-CB 4.16Å; V120-L134 HydrophobicContact CG1-CD1 4.09Å; V120-Y137 HydrophobicContact CG1-CD1 4.12Å; V120-Y137 HydrophobicContact CG1-CG 4.15Å; V120-Y222 CarbonylContact C-O 3.59Å; V120-Y222 WeakPolarHBondContact CA-O 3.46Å
121	L	96.2	Very high	94.5	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	171.5	177.2	67.6	0	0	0	109.6	D119 Q132 Y222 K223 H224	D119-L121 PolarHBondContact O-N 2.92Å; L121-Q132 HydrophobicContact CD1-CG 3.48Å; L121-Q132 VanDerWaalsContact CD1-CG 3.48Å; L121-Y222 PolarHBondContact N-O 2.99Å; L121-K223 HydrophobicContact CB-CG 4.45Å; L121-K223 HydrophobicContact CD2-CD 4.47Å; L121-K223 HydrophobicContact CD2-CG 4.45Å; L121-K223 CarbonylContact O-C 3.48Å; L121-K223 VanDerWaalsContact O-CA 3.27Å; L121-K223 WeakPolarHBondContact O-CA 3.27Å; L121-H224 PolarHBondContact O-N 3.36Å
122	F	97.4	Very high	94.8	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.4	173.6	176.5	-116.5	0	0	0	110.8	N124 E130 V131 Y137 Y140 H224 A226	F122-N124 HydrophobicContact CD1-CB 4.43Å; F122-N124 HydrophobicContact CE1-CB 3.59Å; F122-N124 HydrophobicContact CZ-CB 3.69Å; F122-E130 CarbonylContact O-C 3.55Å; F122-E130 WeakPolarHBondContact O-CA 3.45Å; F122-V131 HydrophobicContact CB-CB 4.3Å; F122-V131 HydrophobicContact CD1-CB 4.29Å; F122-V131 HydrophobicContact CD1-CG2 4.31Å; F122-V131 PolarHBondContact N-O 3.44Å; F122-V131 PolarHBondContact O-N 2.92Å; F122-Y137 HydrophobicContact CB-CD2 3.42Å; F122-Y137 VanDerWaalsContact CB-CD2 3.42Å; F122-Y137 HydrophobicContact CB-CE2 3.71Å; F122-Y137 HydrophobicContact CB-CG 4.45Å; F122-Y137 HydrophobicContact CD1-CD2 4Å; F122-Y137 HydrophobicContact CD1-CE2 4.09Å; F122-Y137 HydrophobicContact CD2-CD2 4.2Å; F122-Y137 AromaticContact CD2-CE2 3.62Å; F122-Y137 HydrophobicContact CD2-CE2 3.62Å; F122-Y137 HydrophobicContact CE2-CE2 4.25Å; F122-Y137 AromaticContact CG-CD2 3.6Å; F122-Y137 HydrophobicContact CG-CD2 3.6Å; F122-Y137 AromaticContact CG-CE2 3.51Å; F122-Y137 HydrophobicContact CG-CE2 3.51Å; F122-Y140 HydrophobicContact CD1-CD1 4.04Å; F122-Y140 HydrophobicContact CD1-CE1 4.11Å; F122-Y140 AromaticContact CE1-CD1 3.68Å; F122-Y140 HydrophobicContact CE1-CD1 3.68Å; F122-Y140 AromaticContact CE1-CE1 3.38Å; F122-Y140 HydrophobicContact CE1-CE1 3.38Å; F122-Y140 HydrophobicContact CZ-CE1 4.31Å; F122-H224 CarbonylContact C-O 3.5Å; F122-H224 WeakPolarHBondContact CA-O 3.21Å; F122-H224 HydrophobicContact CD2-CB 3.93Å; F122-H224 AromaticContact CD2-CE1 3.92Å; F122-H224 AromaticContact CD2-CG 3.62Å; F122-H224 AromaticContact CD2-ND1 3.33Å; F122-H224 VanDerWaalsContact CD2-ND1 3.33Å; F122-H224 WeakPolarHBondContact CD2-ND1 3.38Å; F122-H224 WeakPolarHBondContact CD2-O 3.32Å; F122-H224 AromaticContact CE2-CE1 3.48Å; F122-H224 VanDerWaalsContact CE2-CE1 3.48Å; F122-H224 WeakPolarHBondContact CE2-CE1 3.04Å; F122-H224 AromaticContact CE2-CG 3.89Å; F122-H224 AromaticContact CE2-ND1 3.4Å; F122-H224 WeakPolarHBondContact CE2-ND1 3.11Å; F122-H224 AromaticContact CE2-NE2 3.99Å; F122-A226 HydrophobicContact CE2-CB 3.94Å; F122-A226 HydrophobicContact CZ-CB 4.17Å
123	T	96.7	Very high	94.9	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.086	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.1	176.2	-61.9	0	0	0	0	108.7	R125 E130 H224 V225 A226	T123-R125 HydrophobicContact CG2-CG 4.02Å; T123-E130 HydrophobicContact CG2-CG 4.12Å; T123-E130 VanDerWaalsContact CG2-OE1 3.29Å; T123-E130 WeakPolarHBondContact CG2-OE1 3.22Å; T123-E130 PolarHBondContact OG1-OE1 3.39Å; T123-E130 VanDerWaalsContact OG1-OE1 3.06Å; T123-H224 PolarHBondContact N-O 3.38Å; T123-V225 WeakPolarHBondContact O-CA 3.35Å; T123-A226 PolarHBondContact O-N 2.86Å
124	N	95.4	Very high	95	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	98.1	176.3	-168.9	-10.6	0	0	0	110.2	F122 I126 H127 G128 T129 Y140	F122-N124 HydrophobicContact CD1-CB 4.43Å; F122-N124 HydrophobicContact CE1-CB 3.59Å; F122-N124 HydrophobicContact CZ-CB 3.69Å; N124-I126 VanDerWaalsContact C-N 3.28Å; N124-I126 VanDerWaalsContact OD1-CB 3.27Å; N124-I126 WeakPolarHBondContact OD1-CB 3.45Å; N124-I126 PolarHBondContact OD1-N 3.41Å; N124-I126 VanDerWaalsContact OD1-N 3.12Å; N124-H127 PolarHBondContact ND2-CD2 2.86Å; N124-H127 PolarHBondContact OD1-N 3.25Å; N124-G128 CarbonylContact O-C 3.49Å; N124-G128 VanDerWaalsContact O-CA 3.26Å; N124-G128 WeakPolarHBondContact O-CA 3.31Å; N124-G128 PolarHBondContact O-N 3.45Å; N124-T129 WeakPolarHBondContact CA-O 3.42Å; N124-T129 WeakPolarHBondContact CB-O 3.34Å; N124-T129 WeakPolarHBondContact CB-OG1 3.42Å; N124-T129 PolarHBondContact N-O 3.42Å; N124-T129 PolarHBondContact O-N 3.48Å; N124-Y140 PolarHBondContact ND2-OH 2.67Å
125	R	94.6	Very high	95.2	Very high	150 Å²	150	55.3 Å²	55.3	57%	0.566	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-16	178.3	-67.6	169.2	172.5	176	-3.6	112.7	T123 V225 A226 D227	T123-R125 HydrophobicContact CG2-CG 4.02Å; R125-V225 HydrophobicContact CG-CG1 4.48Å; R125-A226 WeakPolarHBondContact CB-O 3.49Å; R125-A226 PolarHBondContact N-O 3.21Å; R125-D227 WeakPolarHBondContact CB-OD1 3.44Å; R125-D227 WeakPolarHBondContact CD-OD1 3.46Å; R125-D227 IonicContact CZ-OD2 3.62Å; R125-D227 IonicContact NE-OD1 3.52Å; R125-D227 IonicContact NH1-OD1 2.72Å; R125-D227 IonicContact NH1-OD2 3.31Å; R125-D227 PolarHBondContact NH1-OD2 2.93Å
126	I	91.7	Very high	95.2	Very high	48 Å²	48	59.7 Å²	59.7	25%	0.246	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-43.5	175.6	-53.5	174	0	0	0	110.3	N124 W175 F207 A226 R228	N124-I126 VanDerWaalsContact C-N 3.28Å; N124-I126 VanDerWaalsContact OD1-CB 3.27Å; N124-I126 WeakPolarHBondContact OD1-CB 3.45Å; N124-I126 PolarHBondContact OD1-N 3.41Å; N124-I126 VanDerWaalsContact OD1-N 3.12Å; I126-W175 HydrophobicContact CD1-CH2 3.94Å; I126-W175 HydrophobicContact CD1-CZ2 3.99Å; I126-F207 HydrophobicContact CD1-CE1 4.15Å; I126-F207 HydrophobicContact CD1-CZ 4.24Å; I126-F207 HydrophobicContact CG2-CZ 3.86Å; I126-A226 HydrophobicContact CD1-CB 4.43Å; I126-R228 HydrophobicContact CG1-CB 4.23Å
127	H	89.3	Confident	95.2	Very high	67 Å²	67	59 Å²	59	31%	0.31	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-2.5	179.1	-64.1	-81.1	0	0	0	113.4	D31 N124 T129 Y148	D31-H127 IonicContact OD2-ND1 3.52Å; N124-H127 PolarHBondContact ND2-CD2 2.86Å; N124-H127 PolarHBondContact OD1-N 3.25Å; H127-T129 VanDerWaalsContact C-N 3.35Å; H127-T129 HydrophobicContact CB-CG2 4.29Å; H127-T129 PolarHBondContact O-N 2.87Å; H127-Y148 PolarHBondContact CE1-OH 2.81Å; H127-Y148 PolarHBondContact NE2-OH 3.02Å; H127-Y148 VanDerWaalsContact NE2-OH 3.09Å
128	G	92	Very high	95.2	Very high	68 Å²	68	65.8 Å²	65.8	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	31.3	-177.7	0	0	0	0	0	114.1	N124	N124-G128 CarbonylContact O-C 3.49Å; N124-G128 VanDerWaalsContact O-CA 3.26Å; N124-G128 WeakPolarHBondContact O-CA 3.31Å; N124-G128 PolarHBondContact O-N 3.45Å
129	T	94.4	Very high	95.3	Very high	46 Å²	46	63.2 Å²	63.2	28%	0.282	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.2	-177.9	62.6	0	0	0	0	111.6	N124 H127 Y140	N124-T129 WeakPolarHBondContact CA-O 3.42Å; N124-T129 WeakPolarHBondContact CB-O 3.34Å; N124-T129 WeakPolarHBondContact CB-OG1 3.42Å; N124-T129 PolarHBondContact N-O 3.42Å; N124-T129 PolarHBondContact O-N 3.48Å; H127-T129 VanDerWaalsContact C-N 3.35Å; H127-T129 HydrophobicContact CB-CG2 4.29Å; H127-T129 PolarHBondContact O-N 2.87Å; T129-Y140 PolarHBondContact OG1-OH 3.12Å
130	E	96.6	Very high	95.4	Very high	132 Å²	132	62.7 Å²	62.7	62%	0.617	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.9	173	-58.3	-162.6	134.4	0	0	110.8	F122 T123	F122-E130 CarbonylContact O-C 3.55Å; F122-E130 WeakPolarHBondContact O-CA 3.45Å; T123-E130 HydrophobicContact CG2-CG 4.12Å; T123-E130 VanDerWaalsContact CG2-OE1 3.29Å; T123-E130 WeakPolarHBondContact CG2-OE1 3.22Å; T123-E130 PolarHBondContact OG1-OE1 3.39Å; T123-E130 VanDerWaalsContact OG1-OE1 3.06Å
131	V	96.2	Very high	95.4	Very high	19 Å²	19	63.1 Å²	63.1	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132	-177.3	-178.9	0	0	0	0	108.7	F122 H136 Y140	F122-V131 HydrophobicContact CB-CB 4.3Å; F122-V131 HydrophobicContact CD1-CB 4.29Å; F122-V131 HydrophobicContact CD1-CG2 4.31Å; F122-V131 PolarHBondContact N-O 3.44Å; F122-V131 PolarHBondContact O-N 2.92Å; V131-H136 VanDerWaalsContact CG1-C 3.48Å; V131-H136 HydrophobicContact CG1-CB 3.46Å; V131-H136 VanDerWaalsContact CG1-CB 3.46Å; V131-Y140 HydrophobicContact CG2-CD2 3.68Å; V131-Y140 HydrophobicContact CG2-CE2 4.11Å; V131-Y140 HydrophobicContact CG2-CG 3.89Å
132	Q	96.1	Very high	95.3	Very high	129 Å²	129	62.9 Å²	62.9	60%	0.603	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.9	-179.1	-68.9	-176	10.4	0	0	111.8	L121 H136	L121-Q132 HydrophobicContact CD1-CG 3.48Å; L121-Q132 VanDerWaalsContact CD1-CG 3.48Å; Q132-H136 PolarHBondContact O-ND1 3.09Å
133	G	95.7	Very high	95.2	Very high	18 Å²	18	65 Å²	65	19%	0.186	33%	0.33	C	S	.	.	S	Bend	trans	88	146.8	178.3	0	0	0	0	0	113.6	E118 V120 R135 H136 Y137	E118-G133 CarbonylContact O-C 3.53Å; E118-G133 WeakPolarHBondContact O-CA 3.28Å; V120-G133 PolarHBondContact O-N 2.93Å; G133-R135 VanDerWaalsContact C-N 3.32Å; G133-R135 PolarHBondContact O-N 3.36Å; G133-H136 PolarHBondContact O-N 3.26Å; G133-Y137 WeakPolarHBondContact O-CB 3.5Å; G133-Y137 PolarHBondContact O-N 2.83Å
134	L	96.2	Very high	95.1	Very high	46 Å²	46	65.8 Å²	65.8	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-38.6	-172.6	-175.1	59.1	0	0	0	113.2	L113 Y116 E118 V120 Y137 W138	L113-L134 HydrophobicContact CB-CD1 4.28Å; L113-L134 HydrophobicContact CD1-CD1 4.32Å; Y116-L134 HydrophobicContact CG-CD1 4.45Å; E118-L134 WeakPolarHBondContact O-CB 3.49Å; E118-L134 PolarHBondContact O-N 3.2Å; V120-L134 HydrophobicContact CG1-CB 4.16Å; V120-L134 HydrophobicContact CG1-CD1 4.09Å; L134-Y137 HydrophobicContact CD1-CD1 4.34Å; L134-Y137 PolarHBondContact O-N 2.81Å; L134-W138 WeakPolarHBondContact O-CB 3.3Å; L134-W138 PolarHBondContact O-N 3.42Å
135	R	96.7	Very high	95.1	Very high	176 Å²	176	66.7 Å²	66.7	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-65	-45.6	178.6	-167.2	-177.3	83.5	174.9	3.8	112.1	G133 Y137 W138 I139	G133-R135 VanDerWaalsContact C-N 3.32Å; G133-R135 PolarHBondContact O-N 3.36Å; R135-Y137 VanDerWaalsContact C-N 3.34Å; R135-W138 PolarHBondContact O-N 3.5Å; R135-I139 HydrophobicContact CG-CD1 4.26Å; R135-I139 WeakPolarHBondContact O-CG1 3.35Å; R135-I139 PolarHBondContact O-N 3.08Å; R135-I139 VanDerWaalsContact O-N 3.12Å
136	H	96.6	Very high	95.1	Very high	97 Å²	97	65 Å²	65	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-38.2	178.8	-60.9	109.8	0	0	0	110.7	V131 Q132 G133 I139 Y140	V131-H136 VanDerWaalsContact CG1-C 3.48Å; V131-H136 HydrophobicContact CG1-CB 3.46Å; V131-H136 VanDerWaalsContact CG1-CB 3.46Å; Q132-H136 PolarHBondContact O-ND1 3.09Å; G133-H136 PolarHBondContact O-N 3.26Å; H136-I139 PolarHBondContact O-N 3.07Å; H136-Y140 WeakPolarHBondContact O-CB 3.31Å; H136-Y140 PolarHBondContact O-N 3.15Å
137	Y	96.5	Very high	95.3	Very high	3 Å²	3	67.4 Å²	67.4	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-48.5	173	179.3	-118.8	0	0	0	111.8	L113 Y116 V120 F122 G133 L134 R135 I139 Y140 L141 H224	L113-Y137 HydrophobicContact CD2-CD1 4.12Å; L113-Y137 HydrophobicContact CD2-CE1 3.72Å; Y116-Y137 AromaticContact CD1-CE1 3.86Å; Y116-Y137 HydrophobicContact CD1-CE1 3.86Å; Y116-Y137 AromaticContact CE1-CE1 3.62Å; Y116-Y137 HydrophobicContact CE1-CE1 3.62Å; Y116-Y137 AromaticContact CE1-CZ 3.89Å; Y116-Y137 HydrophobicContact CE2-CE1 4.33Å; Y116-Y137 HydrophobicContact CG-CE1 4.29Å; Y116-Y137 AromaticContact CZ-CE1 3.88Å; Y116-Y137 PolarHBondContact OH-OH 2.87Å; V120-Y137 HydrophobicContact CG1-CD1 4.12Å; V120-Y137 HydrophobicContact CG1-CG 4.15Å; F122-Y137 HydrophobicContact CB-CD2 3.42Å; F122-Y137 VanDerWaalsContact CB-CD2 3.42Å; F122-Y137 HydrophobicContact CB-CE2 3.71Å; F122-Y137 HydrophobicContact CB-CG 4.45Å; F122-Y137 HydrophobicContact CD1-CD2 4Å; F122-Y137 HydrophobicContact CD1-CE2 4.09Å; F122-Y137 HydrophobicContact CD2-CD2 4.2Å; F122-Y137 AromaticContact CD2-CE2 3.62Å; F122-Y137 HydrophobicContact CD2-CE2 3.62Å; F122-Y137 HydrophobicContact CE2-CE2 4.25Å; F122-Y137 AromaticContact CG-CD2 3.6Å; F122-Y137 HydrophobicContact CG-CD2 3.6Å; F122-Y137 AromaticContact CG-CE2 3.51Å; F122-Y137 HydrophobicContact CG-CE2 3.51Å; G133-Y137 WeakPolarHBondContact O-CB 3.5Å; G133-Y137 PolarHBondContact O-N 2.83Å; L134-Y137 HydrophobicContact CD1-CD1 4.34Å; L134-Y137 PolarHBondContact O-N 2.81Å; R135-Y137 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 2.86Å; Y137-Y140 PolarHBondContact O-N 2.89Å; Y137-L141 HydrophobicContact CD1-CD1 4.02Å; Y137-L141 HydrophobicContact CD2-CD1 4.18Å; Y137-L141 HydrophobicContact CD2-CG 4.15Å; Y137-L141 HydrophobicContact CE1-CD1 3.49Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.49Å; Y137-L141 HydrophobicContact CE1-CG 4.45Å; Y137-L141 HydrophobicContact CE2-CD1 3.64Å; Y137-L141 HydrophobicContact CE2-CD2 3.95Å; Y137-L141 HydrophobicContact CE2-CG 3.84Å; Y137-L141 HydrophobicContact CG-CD1 4.36Å; Y137-L141 WeakPolarHBondContact O-CG 3.35Å; Y137-L141 PolarHBondContact O-N 3.1Å; Y137-H224 AromaticContact CE2-ND1 3.76Å; Y137-H224 AromaticContact CZ-ND1 3.66Å; Y137-H224 PolarHBondContact OH-ND1 2.74Å
138	W	96.1	Very high	95.6	Very high	147 Å²	147	68.5 Å²	68.5	56%	0.557	35%	0.354	S	S	*	.	H	α-helix	trans	-58.6	-49.1	176.9	178.7	63.1	0	0	0	113.1	L113 L134 R135 Y140 L141 G142	L113-W138 HydrophobicContact CD1-CB 3.46Å; L113-W138 VanDerWaalsContact CD1-CB 3.46Å; L113-W138 HydrophobicContact CD1-CG 3.72Å; L134-W138 WeakPolarHBondContact O-CB 3.3Å; L134-W138 PolarHBondContact O-N 3.42Å; R135-W138 PolarHBondContact O-N 3.5Å; W138-Y140 VanDerWaalsContact C-N 3.29Å; W138-Y140 PolarHBondContact O-N 2.77Å; W138-L141 PolarHBondContact O-N 3.39Å; W138-G142 PolarHBondContact O-N 2.76Å
139	I	96.5	Very high	95.7	Very high	72 Å²	72	72 Å²	72	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-41.5	178.4	-66.7	167.4	0	0	0	110.4	R135 H136 Y137 G142 T143	R135-I139 HydrophobicContact CG-CD1 4.26Å; R135-I139 WeakPolarHBondContact O-CG1 3.35Å; R135-I139 PolarHBondContact O-N 3.08Å; R135-I139 VanDerWaalsContact O-N 3.12Å; H136-I139 PolarHBondContact O-N 3.07Å; Y137-I139 PolarHBondContact O-N 2.86Å; I139-G142 PolarHBondContact O-N 3.34Å; I139-T143 WeakPolarHBondContact O-CB 3.48Å; I139-T143 PolarHBondContact O-N 2.95Å; I139-T143 PolarHBondContact O-OG1 3.3Å
140	Y	96.3	Very high	95.7	Very high	29 Å²	29	74.6 Å²	74.6	11%	0.114	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-48.3	179.6	-176.2	-87.5	0	0	0	111.4	F122 N124 T129 V131 H136 Y137 W138 G142 T143 L144	F122-Y140 HydrophobicContact CD1-CD1 4.04Å; F122-Y140 HydrophobicContact CD1-CE1 4.11Å; F122-Y140 AromaticContact CE1-CD1 3.68Å; F122-Y140 HydrophobicContact CE1-CD1 3.68Å; F122-Y140 AromaticContact CE1-CE1 3.38Å; F122-Y140 HydrophobicContact CE1-CE1 3.38Å; F122-Y140 HydrophobicContact CZ-CE1 4.31Å; N124-Y140 PolarHBondContact ND2-OH 2.67Å; T129-Y140 PolarHBondContact OG1-OH 3.12Å; V131-Y140 HydrophobicContact CG2-CD2 3.68Å; V131-Y140 HydrophobicContact CG2-CE2 4.11Å; V131-Y140 HydrophobicContact CG2-CG 3.89Å; H136-Y140 WeakPolarHBondContact O-CB 3.31Å; H136-Y140 PolarHBondContact O-N 3.15Å; Y137-Y140 PolarHBondContact O-N 2.89Å; W138-Y140 VanDerWaalsContact C-N 3.29Å; W138-Y140 PolarHBondContact O-N 2.77Å; Y140-G142 PolarHBondContact O-N 3.09Å; Y140-T143 WeakPolarHBondContact O-CB 3.24Å; Y140-T143 PolarHBondContact O-N 3.07Å; Y140-L144 HydrophobicContact CD1-CD1 3.88Å; Y140-L144 HydrophobicContact CD1-CG 4.12Å; Y140-L144 HydrophobicContact CE1-CD1 3.37Å; Y140-L144 HydrophobicContact CE1-CD2 4.17Å; Y140-L144 HydrophobicContact CE1-CG 3.72Å; Y140-L144 PolarHBondContact O-N 3.01Å
141	L	95.7	Very high	95.6	Very high	9 Å²	9	71 Å²	71	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-43.7	176.4	-66	-179.5	0	0	0	112.2	F106 L111 L113 Y137 W138 T143 L144 T145	F106-L141 HydrophobicContact CE2-CD2 3.96Å; F106-L141 HydrophobicContact CZ-CD2 4.11Å; L111-L141 HydrophobicContact CD1-CB 3.86Å; L111-L141 HydrophobicContact CD1-CD1 3.79Å; L111-L141 HydrophobicContact CD1-CG 4.38Å; L113-L141 HydrophobicContact CD2-CD1 4.27Å; Y137-L141 HydrophobicContact CD1-CD1 4.02Å; Y137-L141 HydrophobicContact CD2-CD1 4.18Å; Y137-L141 HydrophobicContact CD2-CG 4.15Å; Y137-L141 HydrophobicContact CE1-CD1 3.49Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.49Å; Y137-L141 HydrophobicContact CE1-CG 4.45Å; Y137-L141 HydrophobicContact CE2-CD1 3.64Å; Y137-L141 HydrophobicContact CE2-CD2 3.95Å; Y137-L141 HydrophobicContact CE2-CG 3.84Å; Y137-L141 HydrophobicContact CG-CD1 4.36Å; Y137-L141 WeakPolarHBondContact O-CG 3.35Å; Y137-L141 PolarHBondContact O-N 3.1Å; W138-L141 PolarHBondContact O-N 3.39Å; L141-T143 VanDerWaalsContact C-N 3.26Å; L141-T143 PolarHBondContact O-N 3.44Å; L141-L144 HydrophobicContact CD2-CD1 4.28Å; L141-L144 WeakPolarHBondContact O-CB 3.32Å; L141-L144 PolarHBondContact O-N 2.76Å; L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3Å
142	G	95.5	Very high	95.6	Very high	42 Å²	42	70.6 Å²	70.6	43%	0.433	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-37.2	174.9	0	0	0	0	0	112.5	W138 I139 Y140 T145 L146	W138-G142 PolarHBondContact O-N 2.76Å; I139-G142 PolarHBondContact O-N 3.34Å; Y140-G142 PolarHBondContact O-N 3.09Å; G142-T145 PolarHBondContact O-N 3.5Å; G142-L146 PolarHBondContact O-N 2.83Å; G142-L146 VanDerWaalsContact O-N 3.09Å
143	T	95.2	Very high	95.5	Very high	49 Å²	49	67.3 Å²	67.3	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-65.9	-44.7	174.3	-57.1	0	0	0	0	110.9	L27 I139 Y140 L141 T145 L146 M147	L27-T143 HydrophobicContact CD1-CG2 4.18Å; I139-T143 WeakPolarHBondContact O-CB 3.48Å; I139-T143 PolarHBondContact O-N 2.95Å; I139-T143 PolarHBondContact O-OG1 3.3Å; Y140-T143 WeakPolarHBondContact O-CB 3.24Å; Y140-T143 PolarHBondContact O-N 3.07Å; L141-T143 VanDerWaalsContact C-N 3.26Å; L141-T143 PolarHBondContact O-N 3.44Å; T143-T145 VanDerWaalsContact C-N 3.34Å; T143-T145 PolarHBondContact O-N 3.36Å; T143-L146 PolarHBondContact O-N 2.93Å; T143-M147 HydrophobicContact CG2-CG 4.07Å; T143-M147 WeakPolarHBondContact O-CB 3.5Å; T143-M147 WeakPolarHBondContact O-CG 3.47Å; T143-M147 PolarHBondContact O-N 2.89Å
144	L	94.8	Very high	95.4	Very high	30 Å²	30	67.6 Å²	67.6	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-46.6	174.4	-73.6	179.3	0	0	0	111.6	F106 Y140 L141 L146 M147 Y148	F106-L144 HydrophobicContact CZ-CB 4.48Å; Y140-L144 HydrophobicContact CD1-CD1 3.88Å; Y140-L144 HydrophobicContact CD1-CG 4.12Å; Y140-L144 HydrophobicContact CE1-CD1 3.37Å; Y140-L144 HydrophobicContact CE1-CD2 4.17Å; Y140-L144 HydrophobicContact CE1-CG 3.72Å; Y140-L144 PolarHBondContact O-N 3.01Å; L141-L144 HydrophobicContact CD2-CD1 4.28Å; L141-L144 WeakPolarHBondContact O-CB 3.32Å; L141-L144 PolarHBondContact O-N 2.76Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.03Å; L144-M147 PolarHBondContact O-N 3.38Å; L144-Y148 HydrophobicContact CD2-CE2 4.07Å; L144-Y148 VanDerWaalsContact O-CD2 3.22Å; L144-Y148 WeakPolarHBondContact O-CD2 3.2Å; L144-Y148 PolarHBondContact O-N 2.86Å
145	T	94.3	Very high	95.4	Very high	23 Å²	23	66.2 Å²	66.2	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-56.6	-46.7	177.6	-63.5	0	0	0	0	111.1	F106 F107 L141 G142 T143 R149	F106-T145 PolarHBondContact O-OG1 2.62Å; F106-T145 VanDerWaalsContact O-OG1 3.09Å; F107-T145 HydrophobicContact CD1-CG2 4.41Å; L141-T145 PolarHBondContact O-N 3.09Å; L141-T145 PolarHBondContact O-OG1 3Å; G142-T145 PolarHBondContact O-N 3.5Å; T143-T145 VanDerWaalsContact C-N 3.34Å; T143-T145 PolarHBondContact O-N 3.36Å; T145-R149 WeakPolarHBondContact O-CB 3.26Å; T145-R149 PolarHBondContact O-N 2.95Å
146	L	95.2	Very high	95.3	Very high	114 Å²	114	60.4 Å²	60.4	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-65.5	-44.5	177.7	-177.3	61.7	0	0	0	112.2	G142 T143 L144 Y148 R149 V150	G142-L146 PolarHBondContact O-N 2.83Å; G142-L146 VanDerWaalsContact O-N 3.09Å; T143-L146 PolarHBondContact O-N 2.93Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.03Å; L146-Y148 VanDerWaalsContact C-N 3.26Å; L146-Y148 PolarHBondContact O-N 2.78Å; L146-R149 PolarHBondContact O-N 3.43Å; L146-V150 HydrophobicContact CD1-CG2 3.9Å; L146-V150 HydrophobicContact CG-CG2 4.41Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.22Å; L146-V150 VanDerWaalsContact O-N 3.14Å
147	M	95.4	Very high	95.3	Very high	100 Å²	100	56.4 Å²	56.4	49%	0.493	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-34.7	-177.7	-77.4	-62.9	-63.1	0	0	112.9	T143 L144 P151	T143-M147 HydrophobicContact CG2-CG 4.07Å; T143-M147 WeakPolarHBondContact O-CB 3.5Å; T143-M147 WeakPolarHBondContact O-CG 3.47Å; T143-M147 PolarHBondContact O-N 2.89Å; L144-M147 PolarHBondContact O-N 3.38Å; M147-P151 WeakPolarHBondContact O-CD 3.45Å; M147-P151 VanDerWaalsContact O-CG 3.27Å; M147-P151 WeakPolarHBondContact O-CG 3.22Å
148	Y	94.7	Very high	95.2	Very high	90 Å²	90	59.4 Å²	59.4	35%	0.353	30%	0.301	S	S	.	.	H	α-helix	trans	-90	-30.1	177.2	-71.6	-67	0	0	0	113.4	F107 H127 L144 L146 V150 P151 C152	F107-Y148 HydrophobicContact CE1-CD2 4.17Å; F107-Y148 HydrophobicContact CE1-CG 4.35Å; H127-Y148 PolarHBondContact CE1-OH 2.81Å; H127-Y148 PolarHBondContact NE2-OH 3.02Å; H127-Y148 VanDerWaalsContact NE2-OH 3.09Å; L144-Y148 HydrophobicContact CD2-CE2 4.07Å; L144-Y148 VanDerWaalsContact O-CD2 3.22Å; L144-Y148 WeakPolarHBondContact O-CD2 3.2Å; L144-Y148 PolarHBondContact O-N 2.86Å; L146-Y148 VanDerWaalsContact C-N 3.26Å; L146-Y148 PolarHBondContact O-N 2.78Å; Y148-V150 PolarHBondContact O-N 3.44Å; Y148-P151 WeakPolarHBondContact O-CD 3.48Å; Y148-C152 WeakPolarHBondContact O-CB 3.25Å; Y148-C152 PolarHBondContact O-N 2.92Å; Y148-C152 VanDerWaalsContact O-N 3.12Å
149	R	94.4	Very high	95.3	Very high	141 Å²	141	54.1 Å²	54.1	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-74.9	-23.5	-178.3	-169.8	150.5	128	77.3	-5.3	113.9	F107 T145 L146	F107-R149 WeakPolarHBondContact O-CD 3.5Å; T145-R149 WeakPolarHBondContact O-CB 3.26Å; T145-R149 PolarHBondContact O-N 2.95Å; L146-R149 PolarHBondContact O-N 3.43Å
150	V	94.3	Very high	95.2	Very high	101 Å²	101	54.4 Å²	54.4	61%	0.612	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-55.1	173.8	171.6	0	0	0	0	112.4	L146 Y148	L146-V150 HydrophobicContact CD1-CG2 3.9Å; L146-V150 HydrophobicContact CG-CG2 4.41Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.22Å; L146-V150 VanDerWaalsContact O-N 3.14Å; Y148-V150 PolarHBondContact O-N 3.44Å
151	P	95.3	Very high	95.2	Very high	55 Å²	55	55.2 Å²	55.2	36%	0.357	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.3	179.9	32	-37.6	0	0	0	114.6	M147 Y148 G181 I182	M147-P151 WeakPolarHBondContact O-CD 3.45Å; M147-P151 VanDerWaalsContact O-CG 3.27Å; M147-P151 WeakPolarHBondContact O-CG 3.22Å; Y148-P151 WeakPolarHBondContact O-CD 3.48Å; P151-G181 WeakPolarHBondContact O-CA 3.33Å; P151-I182 WeakPolarHBondContact O-CG1 3.45Å; P151-I182 PolarHBondContact O-N 3Å
152	C	95.5	Very high	95.3	Very high	11 Å²	11	56.1 Å²	56.1	7%	0.074	30%	0.303	C	S	.	.			trans	-123.1	93.3	-179.2	-56.2	0	0	0	0	110.5	Y148 Y154 I155 L180	Y148-C152 WeakPolarHBondContact O-CB 3.25Å; Y148-C152 PolarHBondContact O-N 2.92Å; Y148-C152 VanDerWaalsContact O-N 3.12Å; C152-Y154 PolarHBondContact O-N 2.89Å; C152-I155 HydrophobicContact CB-CB 4.37Å; C152-L180 VanDerWaalsContact CA-O 3.32Å; C152-L180 WeakPolarHBondContact CA-O 3.47Å
153	P	93.7	Very high	95.3	Very high	61 Å²	61	58 Å²	58	40%	0.396	30%	0.3	S	S	.	.	S	Bend	trans	-60.3	-34.3	179.9	-24.2	34.6	0	0	0	112.7	L180 I182 F185	P153-L180 WeakPolarHBondContact CD-O 3.32Å; P153-I182 HydrophobicContact CG-CG1 3.87Å; P153-F185 HydrophobicContact CB-CD1 4.09Å; P153-F185 HydrophobicContact CB-CD2 4.11Å; P153-F185 HydrophobicContact CB-CE1 4.32Å; P153-F185 HydrophobicContact CB-CE2 4.33Å; P153-F185 HydrophobicContact CB-CG 3.99Å; P153-F185 HydrophobicContact CB-CZ 4.44Å; P153-F185 HydrophobicContact CG-CB 4.24Å; P153-F185 HydrophobicContact CG-CD1 4.08Å; P153-F185 HydrophobicContact CG-CG 4.06Å
154	Y	94.7	Very high	95.4	Very high	23 Å²	23	57.6 Å²	57.6	9%	0.09	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.6	169.3	175.8	-107.5	0	0	0	109	C152 E156 Y179 L180 I197	C152-Y154 PolarHBondContact O-N 2.89Å; Y154-E156 PolarHBondContact OH-OE2 2.78Å; Y154-Y179 CarbonylContact O-C 3.57Å; Y154-Y179 VanDerWaalsContact O-CA 3.3Å; Y154-Y179 WeakPolarHBondContact O-CA 3.32Å; Y154-L180 HydrophobicContact CD1-CB 4.08Å; Y154-L180 PolarHBondContact O-N 2.81Å; Y154-I197 HydrophobicContact CE2-CG2 3.93Å
155	I	96.2	Very high	95.4	Very high	17 Å²	17	59 Å²	59	9%	0.087	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.8	173.1	-174	163.3	0	0	0	108.8	F107 Q108 C152 Q178	F107-I155 HydrophobicContact CB-CG1 4.39Å; F107-I155 HydrophobicContact CB-CG2 3.71Å; F107-I155 HydrophobicContact CD1-CD1 3.66Å; F107-I155 HydrophobicContact CD1-CG1 4.25Å; F107-I155 HydrophobicContact CD1-CG2 4.41Å; F107-I155 HydrophobicContact CD2-CD1 3.77Å; F107-I155 HydrophobicContact CD2-CG1 3.61Å; F107-I155 HydrophobicContact CE1-CD1 3.57Å; F107-I155 HydrophobicContact CE1-CG1 4.47Å; F107-I155 HydrophobicContact CE2-CD1 3.66Å; F107-I155 HydrophobicContact CE2-CG1 3.85Å; F107-I155 HydrophobicContact CG-CD1 3.76Å; F107-I155 HydrophobicContact CG-CG1 3.82Å; F107-I155 HydrophobicContact CG-CG2 3.99Å; F107-I155 HydrophobicContact CZ-CD1 3.56Å; F107-I155 HydrophobicContact CZ-CG1 4.28Å; Q108-I155 PolarHBondContact NE2-O 3.49Å; C152-I155 HydrophobicContact CB-CB 4.37Å; I155-Q178 CarbonylContact C-O 3.53Å; I155-Q178 VanDerWaalsContact CA-O 3.31Å; I155-Q178 WeakPolarHBondContact CA-O 2.94Å
156	E	94.4	Very high	95.3	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.2	-178.2	-170.5	-173.9	158.1	0	0	109	Y154 K158 A177 Q178	Y154-E156 PolarHBondContact OH-OE2 2.78Å; E156-K158 WeakPolarHBondContact OE1-CE 2.91Å; E156-K158 IonicContact OE1-NZ 3.75Å; E156-A177 CarbonylContact O-C 3.5Å; E156-A177 WeakPolarHBondContact O-CA 3.21Å; E156-Q178 PolarHBondContact N-O 3.36Å; E156-Q178 PolarHBondContact O-N 3.22Å
157	M	96.2	Very high	95.1	Very high	14 Å²	14	61.8 Å²	61.8	7%	0.069	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.1	174.1	-168	131.5	90.6	0	0	109.3	V103 P104 F106 F107 W175 R176	V103-M157 HydrophobicContact CG1-CE 3.66Å; V103-M157 HydrophobicContact CG1-CG 3.93Å; V103-M157 HydrophobicContact CG1-SD 4.45Å; V103-M157 WeakPolarHBondContact O-CB 3.46Å; V103-M157 WeakPolarHBondContact O-CE 3.26Å; P104-M157 VanDerWaalsContact CA-O 3.32Å; P104-M157 WeakPolarHBondContact CA-O 3.37Å; F106-M157 HydrophobicContact CB-CE 3.27Å; F106-M157 HydrophobicContact CB-SD 4.46Å; F106-M157 HydrophobicContact CD1-CE 3.97Å; F106-M157 HydrophobicContact CD2-CE 3.67Å; F106-M157 HydrophobicContact CG-CE 3.38Å; F107-M157 HydrophobicContact CD2-CB 4.14Å; F107-M157 HydrophobicContact CE2-CB 4.16Å; F107-M157 HydrophobicContact CE2-SD 3.96Å; M157-W175 HydrophobicContact SD-CD2 4.37Å; M157-W175 HydrophobicContact SD-CE3 4.02Å; M157-R176 CarbonylContact C-O 3.56Å
158	K	95.5	Very high	95	Very high	66 Å²	66	62.9 Å²	62.9	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.4	174.8	-64.7	-162.4	178.1	179.9	0	110.5	E156 W175 R176 Q178	E156-K158 WeakPolarHBondContact OE1-CE 2.91Å; E156-K158 IonicContact OE1-NZ 3.75Å; K158-W175 CarbonylContact O-C 3.57Å; K158-W175 VanDerWaalsContact O-CA 3.24Å; K158-W175 WeakPolarHBondContact O-CA 3.45Å; K158-R176 PolarHBondContact N-O 3.12Å; K158-R176 PolarHBondContact O-N 3.43Å; K158-Q178 VanDerWaalsContact CE-NE2 3.31Å
159	V	96.9	Very high	94.9	Very high	36 Å²	36	58.6 Å²	58.6	22%	0.218	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.2	167.6	179.1	0	0	0	0	108	V103 P104 C162 L173	V103-V159 HydrophobicContact CB-CG2 3.85Å; V103-V159 HydrophobicContact CG1-CG2 3.59Å; P104-V159 HydrophobicContact CG-CG2 4.19Å; V159-C162 HydrophobicContact CG1-CB 4.22Å; V159-L173 HydrophobicContact CB-CD1 4.42Å; V159-L173 HydrophobicContact CG1-CD1 3.52Å; V159-L173 HydrophobicContact CG2-CD1 4.09Å
160	I	95.7	Very high	95	Very high	77 Å²	77	52 Å²	52	40%	0.395	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-46.2	174.8	-64.3	168.1	0	0	0	109.8	R174 R176 D208	I160-R174 HydrophobicContact CB-CB 4.37Å; I160-R174 HydrophobicContact CB-CG 4.16Å; I160-R174 HydrophobicContact CD1-CG 4.11Å; I160-R174 PolarHBondContact N-O 3.16Å; I160-R176 HydrophobicContact CD1-CB 3.69Å; I160-R176 HydrophobicContact CG1-CB 4.07Å; I160-D208 WeakPolarHBondContact CD1-OD2 3.22Å
161	S	96.1	Very high	95.2	Very high	46 Å²	46	47.1 Å²	47.1	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	140.4	-177.5	174.8	0	0	0	0	109.2	H163 L173 R174	S161-H163 PolarHBondContact OG-ND1 3.13Å; S161-L173 CarbonylContact O-C 3.5Å; S161-L173 WeakPolarHBondContact O-CA 3.35Å; S161-R174 PolarHBondContact N-O 2.8Å; S161-R174 PolarHBondContact O-N 2.85Å
162	C	97	Very high	95.3	Very high	28 Å²	28	45.2 Å²	45.2	19%	0.189	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116.9	173	-170	0	0	0	0	107.6	V159 S172 L173	V159-C162 HydrophobicContact CG1-CB 4.22Å; C162-S172 WeakPolarHBondContact CA-O 3.36Å; C162-L173 HydrophobicContact CB-CD1 3.75Å
163	H	95.8	Very high	95.4	Very high	81 Å²	81	44.8 Å²	44.8	38%	0.375	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.5	-178.2	55.6	-85.8	0	0	0	111.8	S161 S172	S161-H163 PolarHBondContact OG-ND1 3.13Å; H163-S172 PolarHBondContact CE1-OG 3.37Å; H163-S172 PolarHBondContact N-O 3.38Å; H163-S172 WeakPolarHBondContact NE2-CB 3.49Å; H163-S172 PolarHBondContact NE2-OG 3.16Å; H163-S172 PolarHBondContact O-N 3.36Å
164	P	96.6	Very high	95.5	Very high	41 Å²	41	46.4 Å²	46.4	27%	0.266	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.6	174.7	31.1	-25.7	0	0	0	111.3	L92 I96	L92-P164 HydrophobicContact CB-CB 4.29Å; L92-P164 HydrophobicContact CD1-CB 4.34Å; I96-P164 HydrophobicContact CD1-CB 3.75Å; I96-P164 VanDerWaalsContact CD1-CD 3.47Å; I96-P164 HydrophobicContact CD1-CG 3.57Å
165	I	95	Very high	95.6	Very high	59 Å²	59	46.6 Å²	46.6	30%	0.303	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	91.3	165.9	-54.6	172.7	0	0	0	106	D167 E168 G169 V170	I165-D167 PolarHBondContact O-N 3.18Å; I165-E168 HydrophobicContact CG2-CB 4.27Å; I165-E168 HydrophobicContact CG2-CG 4.18Å; I165-E168 PolarHBondContact O-N 3.15Å; I165-G169 PolarHBondContact O-N 2.77Å; I165-V170 HydrophobicContact CB-CB 4.43Å; I165-V170 PolarHBondContact N-O 2.96Å; I165-V170 PolarHBondContact O-N 3.16Å; I165-V170 VanDerWaalsContact O-N 3.16Å
166	V	92.7	Very high	95.6	Very high	60 Å²	60	49.3 Å²	49.3	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.2	-172.3	-178.5	0	0	0	0	111.9	K86 L92	K86-V166 WeakPolarHBondContact CE-O 3.22Å; K86-V166 PolarHBondContact NZ-O 3.4Å; L92-V166 HydrophobicContact CD1-CG2 4.26Å
167	D	91.7	Very high	95.6	Very high	136 Å²	136	47.1 Å²	47.1	73%	0.727	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-44.1	-178.8	-63	-40.5	0	0	0	112.5	K86 I165	K86-D167 WeakPolarHBondContact CE-O 3.18Å; I165-D167 PolarHBondContact O-N 3.18Å
168	E	91.4	Very high	95.6	Very high	123 Å²	123	47.3 Å²	47.3	58%	0.575	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.9	-178.6	-60.3	-175	179.6	0	0	113.4	I165 V170	I165-E168 HydrophobicContact CG2-CB 4.27Å; I165-E168 HydrophobicContact CG2-CG 4.18Å; I165-E168 PolarHBondContact O-N 3.15Å; E168-V170 HydrophobicContact CB-CB 4.32Å; E168-V170 HydrophobicContact CB-CG2 3.69Å
169	G	94.6	Very high	95.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	34.4	-171.4	0	0	0	0	0	112.7	I165 V215	I165-G169 PolarHBondContact O-N 2.77Å; G169-V215 PolarHBondContact O-N 2.84Å
170	V	96.4	Very high	95.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.9	-175.3	179.9	0	0	0	0	110.4	I165 E168 F213 Y214	I165-V170 HydrophobicContact CB-CB 4.43Å; I165-V170 PolarHBondContact N-O 2.96Å; I165-V170 PolarHBondContact O-N 3.16Å; I165-V170 VanDerWaalsContact O-N 3.16Å; E168-V170 HydrophobicContact CB-CB 4.32Å; E168-V170 HydrophobicContact CB-CG2 3.69Å; V170-F213 CarbonylContact C-O 3.49Å; V170-F213 VanDerWaalsContact CA-O 3.32Å; V170-F213 WeakPolarHBondContact CA-O 3.27Å; V170-Y214 HydrophobicContact CG2-CD1 3.29Å; V170-Y214 HydrophobicContact CG2-CE1 3.4Å; V170-Y214 VanDerWaalsContact CG2-CE1 3.4Å; V170-Y214 HydrophobicContact CG2-CG 3.86Å
171	V	97.8	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	167	-178.8	0	0	0	0	108.6	L92 V95 I96 L99 F213 V215	L92-V171 HydrophobicContact CD2-CG2 3.97Å; V95-V171 HydrophobicContact CB-CG2 4.31Å; V95-V171 HydrophobicContact CG1-CB 4.39Å; V95-V171 HydrophobicContact CG1-CG2 4.02Å; I96-V171 HydrophobicContact CD1-CG1 4.46Å; I96-V171 HydrophobicContact CG1-CG1 3.58Å; I96-V171 HydrophobicContact CG1-CG2 4.13Å; L99-V171 HydrophobicContact CD1-CB 4.41Å; L99-V171 HydrophobicContact CD1-CG1 3.81Å; V171-F213 HydrophobicContact CB-CB 4.32Å; V171-F213 PolarHBondContact N-O 3.34Å; V171-F213 PolarHBondContact O-N 3.41Å; V171-V215 HydrophobicContact CG2-CG2 4.38Å
172	S	96.8	Very high	95.4	Very high	15 Å²	15	44.5 Å²	44.5	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	177.5	-179.3	0	0	0	0	109.7	C162 H163	C162-S172 WeakPolarHBondContact CA-O 3.36Å; H163-S172 PolarHBondContact CE1-OG 3.37Å; H163-S172 PolarHBondContact N-O 3.38Å; H163-S172 WeakPolarHBondContact NE2-CB 3.49Å; H163-S172 PolarHBondContact NE2-OG 3.16Å; H163-S172 PolarHBondContact O-N 3.36Å
173	L	97.4	Very high	95.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114	-177.6	179	75.8	0	0	0	109.6	V103 V159 S161 C162 V210 S211 F213	V103-L173 HydrophobicContact CB-CD2 4.39Å; V103-L173 HydrophobicContact CG1-CD2 4.16Å; V103-L173 HydrophobicContact CG2-CD2 3.61Å; V159-L173 HydrophobicContact CB-CD1 4.42Å; V159-L173 HydrophobicContact CG1-CD1 3.52Å; V159-L173 HydrophobicContact CG2-CD1 4.09Å; S161-L173 CarbonylContact O-C 3.5Å; S161-L173 WeakPolarHBondContact O-CA 3.35Å; C162-L173 HydrophobicContact CB-CD1 3.75Å; L173-V210 CarbonylContact O-C 3.55Å; L173-V210 WeakPolarHBondContact O-CA 3.13Å; L173-S211 PolarHBondContact N-O 2.86Å; L173-S211 PolarHBondContact O-N 2.89Å; L173-F213 HydrophobicContact CB-CD2 4.3Å; L173-F213 HydrophobicContact CB-CE2 3.76Å; L173-F213 HydrophobicContact CD2-CE2 3.72Å; L173-F213 HydrophobicContact CD2-CZ 4.16Å; L173-F213 HydrophobicContact CG-CE2 4.4Å
174	R	96.8	Very high	95.2	Very high	95 Å²	95	47.6 Å²	47.6	36%	0.358	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.6	168.4	-172.9	177.4	176	166.2	0.1	109.6	I160 S161 D208	I160-R174 HydrophobicContact CB-CB 4.37Å; I160-R174 HydrophobicContact CB-CG 4.16Å; I160-R174 HydrophobicContact CD1-CG 4.11Å; I160-R174 PolarHBondContact N-O 3.16Å; S161-R174 PolarHBondContact N-O 2.8Å; S161-R174 PolarHBondContact O-N 2.85Å; R174-D208 IonicContact CZ-OD2 3.69Å; R174-D208 IonicContact NE-OD2 3.58Å; R174-D208 IonicContact NH2-OD2 2.9Å; R174-D208 PolarHBondContact NH2-OD2 2.69Å
175	W	96.6	Very high	95.1	Very high	28 Å²	28	48 Å²	48	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.1	-178	51.6	-97	0	0	0	111.3	V103 I126 M157 K158 A177 F207 D208 G209 S211	V103-W175 HydrophobicContact CG1-CB 4.39Å; I126-W175 HydrophobicContact CD1-CH2 3.94Å; I126-W175 HydrophobicContact CD1-CZ2 3.99Å; M157-W175 HydrophobicContact SD-CD2 4.37Å; M157-W175 HydrophobicContact SD-CE3 4.02Å; K158-W175 CarbonylContact O-C 3.57Å; K158-W175 VanDerWaalsContact O-CA 3.24Å; K158-W175 WeakPolarHBondContact O-CA 3.45Å; W175-A177 HydrophobicContact CZ3-CB 4.4Å; W175-F207 HydrophobicContact CH2-CD1 4.15Å; W175-F207 AromaticContact CH2-CE1 3.75Å; W175-F207 HydrophobicContact CH2-CE1 3.75Å; W175-F207 AromaticContact CZ3-CD1 3.84Å; W175-F207 HydrophobicContact CZ3-CD1 3.84Å; W175-F207 AromaticContact CZ3-CE1 3.94Å; W175-F207 HydrophobicContact CZ3-CE1 3.94Å; W175-D208 VanDerWaalsContact O-CA 3.27Å; W175-D208 WeakPolarHBondContact O-CA 3.27Å; W175-D208 WeakPolarHBondContact O-CB 3.22Å; W175-G209 PolarHBondContact N-O 2.89Å; W175-G209 PolarHBondContact O-N 3.24Å; W175-G209 VanDerWaalsContact O-O 3.14Å; W175-S211 PolarHBondContact NE1-OG 2.94Å
176	R	95.5	Very high	95.1	Very high	73 Å²	73	50 Å²	50	28%	0.275	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118	178.5	175.6	169.5	-67.4	-176.9	1.1	109.6	M157 K158 I160 Q178 W206 F207 D208	M157-R176 CarbonylContact C-O 3.56Å; K158-R176 PolarHBondContact N-O 3.12Å; K158-R176 PolarHBondContact O-N 3.43Å; I160-R176 HydrophobicContact CD1-CB 3.69Å; I160-R176 HydrophobicContact CG1-CB 4.07Å; R176-Q178 HydrophobicContact CG-CG 4.46Å; R176-W206 HydrophobicContact CG-CB 3.9Å; R176-F207 CarbonylContact C-O 3.58Å; R176-F207 WeakPolarHBondContact CA-O 3.28Å; R176-D208 WeakPolarHBondContact CB-OD1 3.29Å; R176-D208 WeakPolarHBondContact CD-OD1 2.82Å; R176-D208 WeakPolarHBondContact CG-OD1 3.46Å; R176-D208 IonicContact CZ-OD1 3.84Å; R176-D208 IonicContact CZ-OD2 3.49Å; R176-D208 IonicContact NE-OD1 3.59Å; R176-D208 PolarHBondContact NE-OD1 2.82Å; R176-D208 IonicContact NE-OD2 2.68Å; R176-D208 IonicContact NH2-OD1 3.45Å; R176-D208 PolarHBondContact NH2-OD1 2.78Å; R176-D208 IonicContact NH2-OD2 3.45Å; R176-D208 PolarHBondContact NH2-OD2 2.89Å
177	A	95.1	Very high	95.2	Very high	8 Å²	8	51.5 Å²	51.5	7%	0.066	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.7	169.2	0	0	0	0	0	109.2	F107 E156 W175 W206 F207	F107-A177 HydrophobicContact CE2-CB 4.38Å; E156-A177 CarbonylContact O-C 3.5Å; E156-A177 WeakPolarHBondContact O-CA 3.21Å; W175-A177 HydrophobicContact CZ3-CB 4.4Å; A177-W206 CarbonylContact O-C 3.6Å; A177-W206 VanDerWaalsContact O-CA 3.26Å; A177-W206 WeakPolarHBondContact O-CA 3.1Å; A177-F207 PolarHBondContact N-O 2.89Å; A177-F207 PolarHBondContact O-N 2.82Å
178	Q	95.2	Very high	95.3	Very high	19 Å²	19	45.8 Å²	45.8	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.3	167.9	-81.9	158.4	96.8	0	0	109.2	I155 E156 K158 R176 R205 W206	I155-Q178 CarbonylContact C-O 3.53Å; I155-Q178 VanDerWaalsContact CA-O 3.31Å; I155-Q178 WeakPolarHBondContact CA-O 2.94Å; E156-Q178 PolarHBondContact N-O 3.36Å; E156-Q178 PolarHBondContact O-N 3.22Å; K158-Q178 VanDerWaalsContact CE-NE2 3.31Å; R176-Q178 HydrophobicContact CG-CG 4.46Å; Q178-R205 CarbonylContact C-O 3.59Å; Q178-R205 VanDerWaalsContact CA-O 3.28Å; Q178-R205 WeakPolarHBondContact CA-O 3.34Å; Q178-W206 HydrophobicContact CG-CB 4.14Å
179	Y	95.7	Very high	95.4	Very high	71 Å²	71	41.5 Å²	41.5	28%	0.278	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156	-178.6	64.3	-86.2	0	0	0	112	Y154 S204 R205 F207	Y154-Y179 CarbonylContact O-C 3.57Å; Y154-Y179 VanDerWaalsContact O-CA 3.3Å; Y154-Y179 WeakPolarHBondContact O-CA 3.32Å; Y179-S204 WeakPolarHBondContact O-CA 3.48Å; Y179-S204 WeakPolarHBondContact O-CB 3.4Å; Y179-R205 HydrophobicContact CE1-CB 4.23Å; Y179-R205 HydrophobicContact CE2-CB 4.08Å; Y179-R205 PolarHBondContact N-O 3.16Å; Y179-R205 PolarHBondContact O-N 2.81Å; Y179-F207 HydrophobicContact CE1-CB 4.07Å
180	L	95.4	Very high	95.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.3	173.4	-161	65.8	0	0	0	108.1	C152 P153 Y154 E184 F185 V188 Y200 H203	C152-L180 VanDerWaalsContact CA-O 3.32Å; C152-L180 WeakPolarHBondContact CA-O 3.47Å; P153-L180 WeakPolarHBondContact CD-O 3.32Å; Y154-L180 HydrophobicContact CD1-CB 4.08Å; Y154-L180 PolarHBondContact O-N 2.81Å; L180-E184 HydrophobicContact CD1-CB 3.47Å; L180-E184 VanDerWaalsContact CD1-CB 3.47Å; L180-E184 HydrophobicContact CG-CB 3.77Å; L180-F185 VanDerWaalsContact CD2-CA 3.48Å; L180-F185 HydrophobicContact CD2-CB 3.94Å; L180-F185 HydrophobicContact CD2-CD2 4.15Å; L180-F185 HydrophobicContact CG-CB 4.13Å; L180-V188 HydrophobicContact CD2-CB 4.43Å; L180-V188 HydrophobicContact CD2-CG2 4.41Å; L180-Y200 HydrophobicContact CD2-CD1 3.9Å; L180-Y200 HydrophobicContact CD2-CG 4.44Å; L180-H203 WeakPolarHBondContact CD1-O 3.35Å
181	G	95.1	Very high	95.1	Very high	17 Å²	17	55.7 Å²	55.7	18%	0.175	28%	0.277	C	S	.	.			trans	-67.9	158.7	177.6	0	0	0	0	0	111.4	P151 L183 E184 F185	P151-G181 WeakPolarHBondContact O-CA 3.33Å; G181-L183 VanDerWaalsContact C-N 3.29Å; G181-L183 PolarHBondContact O-N 3.45Å; G181-L183 VanDerWaalsContact O-N 3.16Å; G181-E184 PolarHBondContact N-OE2 3.29Å; G181-E184 PolarHBondContact O-N 3.3Å; G181-F185 WeakPolarHBondContact O-CB 3.11Å; G181-F185 PolarHBondContact O-N 2.92Å
182	I	95.6	Very high	94.8	Very high	76 Å²	76	57.8 Å²	57.8	39%	0.39	29%	0.294	S	S	.	.	H	α-helix	trans	-47.4	-48.4	-178.6	-70.6	156	0	0	0	112.8	P151 P153 E184 F185 L186	P151-I182 WeakPolarHBondContact O-CG1 3.45Å; P151-I182 PolarHBondContact O-N 3Å; P153-I182 HydrophobicContact CG-CG1 3.87Å; I182-E184 PolarHBondContact O-N 2.83Å; I182-F185 PolarHBondContact O-N 3.23Å; I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.31Å; I182-L186 WeakPolarHBondContact O-CB 3.48Å; I182-L186 VanDerWaalsContact O-CG 3.25Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 2.9Å
183	L	94.3	Very high	94.4	Very high	128 Å²	128	68.2 Å²	68.2	67%	0.67	33%	0.331	S	S	*	.	H	α-helix	trans	-64.3	-42.3	-177.8	-62.4	178.2	0	0	0	112.1	G181 T187	G181-L183 VanDerWaalsContact C-N 3.29Å; G181-L183 PolarHBondContact O-N 3.45Å; G181-L183 VanDerWaalsContact O-N 3.16Å; L183-T187 WeakPolarHBondContact O-CB 3.27Å; L183-T187 VanDerWaalsContact O-CG2 3.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.24Å; L183-T187 PolarHBondContact O-N 2.68Å; L183-T187 PolarHBondContact O-OG1 3.32Å
184	E	93.1	Very high	93.8	Very high	47 Å²	47	70.1 Å²	70.1	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-68	-40.4	177.5	-62.4	176	145.9	0	0	110.6	L180 G181 I182 T187 V188 R205	L180-E184 HydrophobicContact CD1-CB 3.47Å; L180-E184 VanDerWaalsContact CD1-CB 3.47Å; L180-E184 HydrophobicContact CG-CB 3.77Å; G181-E184 PolarHBondContact N-OE2 3.29Å; G181-E184 PolarHBondContact O-N 3.3Å; I182-E184 PolarHBondContact O-N 2.83Å; E184-T187 WeakPolarHBondContact CA-OG1 3.46Å; E184-T187 PolarHBondContact O-N 2.98Å; E184-T187 PolarHBondContact O-OG1 3.39Å; E184-V188 VanDerWaalsContact O-CB 3.29Å; E184-V188 WeakPolarHBondContact O-CB 3.45Å; E184-V188 WeakPolarHBondContact O-CG2 3.46Å; E184-V188 PolarHBondContact O-N 2.99Å; E184-R205 IonicContact OE1-CZ 3.06Å; E184-R205 IonicContact OE1-NE 3.58Å; E184-R205 PolarHBondContact OE1-NE 2.83Å; E184-R205 IonicContact OE1-NH1 3.94Å; E184-R205 IonicContact OE1-NH2 2.67Å; E184-R205 PolarHBondContact OE1-NH2 2.81Å; E184-R205 IonicContact OE2-NE 3.03Å
185	F	94.5	Very high	93.3	Very high	48 Å²	48	71.1 Å²	71.1	21%	0.211	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-47	175.4	177.9	-93.1	0	0	0	112	P153 L180 G181 I182 T189 Y200	P153-F185 HydrophobicContact CB-CD1 4.09Å; P153-F185 HydrophobicContact CB-CD2 4.11Å; P153-F185 HydrophobicContact CB-CE1 4.32Å; P153-F185 HydrophobicContact CB-CE2 4.33Å; P153-F185 HydrophobicContact CB-CG 3.99Å; P153-F185 HydrophobicContact CB-CZ 4.44Å; P153-F185 HydrophobicContact CG-CB 4.24Å; P153-F185 HydrophobicContact CG-CD1 4.08Å; P153-F185 HydrophobicContact CG-CG 4.06Å; L180-F185 VanDerWaalsContact CD2-CA 3.48Å; L180-F185 HydrophobicContact CD2-CB 3.94Å; L180-F185 HydrophobicContact CD2-CD2 4.15Å; L180-F185 HydrophobicContact CG-CB 4.13Å; G181-F185 WeakPolarHBondContact O-CB 3.11Å; G181-F185 PolarHBondContact O-N 2.92Å; I182-F185 PolarHBondContact O-N 3.23Å; F185-T189 VanDerWaalsContact O-CB 3.24Å; F185-T189 WeakPolarHBondContact O-CB 3.13Å; F185-T189 PolarHBondContact O-N 2.8Å; F185-T189 PolarHBondContact O-OG1 2.74Å; F185-Y200 HydrophobicContact CD2-CD1 4.29Å; F185-Y200 AromaticContact CD2-CE1 4Å; F185-Y200 HydrophobicContact CD2-CE1 4Å; F185-Y200 HydrophobicContact CD2-CE2 4.48Å; F185-Y200 HydrophobicContact CE2-CD1 4.37Å; F185-Y200 HydrophobicContact CE2-CD2 4.25Å; F185-Y200 AromaticContact CE2-CE1 3.82Å; F185-Y200 HydrophobicContact CE2-CE1 3.82Å; F185-Y200 AromaticContact CE2-CE2 3.68Å; F185-Y200 HydrophobicContact CE2-CE2 3.68Å; F185-Y200 AromaticContact CE2-CZ 3.42Å; F185-Y200 VanDerWaalsContact CE2-CZ 3.42Å; F185-Y200 HydrophobicContact CZ-CE2 4.45Å
186	L	94.6	Very high	93	Very high	102 Å²	102	74 Å²	74	53%	0.534	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-44.2	178.3	-69.1	174.5	0	0	0	111.8	I182 A190	I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.31Å; I182-L186 WeakPolarHBondContact O-CB 3.48Å; I182-L186 VanDerWaalsContact O-CG 3.25Å; I182-L186 WeakPolarHBondContact O-CG 3.38Å; I182-L186 PolarHBondContact O-N 2.9Å; L186-A190 VanDerWaalsContact O-CB 3.22Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 2.83Å
187	T	94.6	Very high	92.7	Very high	91 Å²	91	75.6 Å²	75.6	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-66.8	-43.6	179.2	50	0	0	0	0	112.8	L183 E184 A190 R191	L183-T187 WeakPolarHBondContact O-CB 3.27Å; L183-T187 VanDerWaalsContact O-CG2 3.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.24Å; L183-T187 PolarHBondContact O-N 2.68Å; L183-T187 PolarHBondContact O-OG1 3.32Å; E184-T187 WeakPolarHBondContact CA-OG1 3.46Å; E184-T187 PolarHBondContact O-N 2.98Å; E184-T187 PolarHBondContact O-OG1 3.39Å; T187-A190 PolarHBondContact O-N 3.22Å; T187-R191 VanDerWaalsContact O-CB 3.3Å; T187-R191 WeakPolarHBondContact O-CB 3.33Å; T187-R191 PolarHBondContact O-N 3.32Å
188	V	93.8	Very high	92.6	Very high	16 Å²	16	79.7 Å²	79.7	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-63.8	-46.6	176.4	171.3	0	0	0	0	110.5	L180 E184 A190 R191 A192 V199 Y200 H203	L180-V188 HydrophobicContact CD2-CB 4.43Å; L180-V188 HydrophobicContact CD2-CG2 4.41Å; E184-V188 VanDerWaalsContact O-CB 3.29Å; E184-V188 WeakPolarHBondContact O-CB 3.45Å; E184-V188 WeakPolarHBondContact O-CG2 3.46Å; E184-V188 PolarHBondContact O-N 2.99Å; V188-A190 PolarHBondContact O-N 3.02Å; V188-R191 PolarHBondContact O-N 2.6Å; V188-A192 VanDerWaalsContact O-CB 3.29Å; V188-A192 WeakPolarHBondContact O-CB 3.13Å; V188-A192 PolarHBondContact O-N 2.96Å; V188-V199 HydrophobicContact CG1-CG1 3.68Å; V188-Y200 HydrophobicContact CG1-CD1 3.87Å; V188-Y200 HydrophobicContact CG1-CE1 4.07Å; V188-H203 HydrophobicContact CG2-CB 3.78Å
189	T	93.5	Very high	92.5	Very high	34 Å²	34	80.3 Å²	80.3	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-42.9	179	-55.1	0	0	0	0	111.5	F185 R191 R193 T195 Y200	F185-T189 VanDerWaalsContact O-CB 3.24Å; F185-T189 WeakPolarHBondContact O-CB 3.13Å; F185-T189 PolarHBondContact O-N 2.8Å; F185-T189 PolarHBondContact O-OG1 2.74Å; T189-R191 PolarHBondContact O-N 3.45Å; T189-R193 VanDerWaalsContact O-CA 3.32Å; T189-R193 WeakPolarHBondContact O-CA 3.17Å; T189-R193 PolarHBondContact O-N 2.69Å; T189-T195 HydrophobicContact CG2-CG2 4.47Å; T189-Y200 VanDerWaalsContact OG1-CE1 3.3Å; T189-Y200 WeakPolarHBondContact OG1-CE1 3.27Å; T189-Y200 PolarHBondContact OG1-OH 2.97Å
190	A	93.1	Very high	92.4	Very high	73 Å²	73	77.5 Å²	77.5	60%	0.603	40%	0.404	S	S	*	.	H	α-helix	trans	-64.7	-39.4	177.5	0	0	0	0	0	112.6	L186 T187 V188	L186-A190 VanDerWaalsContact O-CB 3.22Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 2.83Å; T187-A190 PolarHBondContact O-N 3.22Å; V188-A190 PolarHBondContact O-N 3.02Å
191	R	92.5	Very high	92.2	Very high	226 Å²	226	82.2 Å²	82.2	85%	0.853	42%	0.421	S	S	*	.	H	α-helix	trans	-75	-46.3	-179	-177.5	174.9	179.6	156.1	0.7	112.6	T187 V188 T189 R193	T187-R191 VanDerWaalsContact O-CB 3.3Å; T187-R191 WeakPolarHBondContact O-CB 3.33Å; T187-R191 PolarHBondContact O-N 3.32Å; V188-R191 PolarHBondContact O-N 2.6Å; T189-R191 PolarHBondContact O-N 3.45Å; R191-R193 VanDerWaalsContact C-N 3.3Å
192	A	91.2	Very high	92.1	Very high	45 Å²	45	89.7 Å²	89.7	37%	0.372	45%	0.449	S	S	.	.	H	α-helix	trans	-75.9	-22.8	-179.2	0	0	0	0	0	112.2	V188 S194 V199	V188-A192 VanDerWaalsContact O-CB 3.29Å; V188-A192 WeakPolarHBondContact O-CB 3.13Å; V188-A192 PolarHBondContact O-N 2.96Å; A192-S194 PolarHBondContact O-N 2.68Å; A192-V199 HydrophobicContact CB-CG1 3.85Å
193	R	87.8	Confident	91.9	Very high	233 Å²	233	91 Å²	91	88%	0.879	45%	0.453	S	S	*	.			trans	51.3	25.3	-171.2	-59.8	-177.1	177.5	171.1	-1.5	112.9	T189 R191	T189-R193 VanDerWaalsContact O-CA 3.32Å; T189-R193 WeakPolarHBondContact O-CA 3.17Å; T189-R193 PolarHBondContact O-N 2.69Å; R191-R193 VanDerWaalsContact C-N 3.3Å
194	S	86.1	Confident	91.9	Very high	42 Å²	42	85.7 Å²	85.7	29%	0.294	43%	0.427	S	S	.	.			trans	-131.9	149.8	179.1	66.1	0	0	0	0	109.7	A192	A192-S194 PolarHBondContact O-N 2.68Å
195	T	85	Confident	91.9	Very high	116 Å²	116	90 Å²	90	71%	0.712	44%	0.442	S	S	*	.			trans	-105.3	36.2	173.7	59.6	0	0	0	0	110.5	T189	T189-T195 HydrophobicContact CG2-CG2 4.47Å
196	D	90.8	Very high	91.8	Very high	89 Å²	89	92.5 Å²	92.5	48%	0.476	45%	0.45	S	S	.	.			trans	-81.1	129.8	-179.6	-169.6	-11	0	0	0	110.1	E198 V199 Y200	D196-E198 PolarHBondContact O-N 2.92Å; D196-E198 PolarHBondContact OD1-N 3.41Å; D196-V199 HydrophobicContact CB-CG2 4.07Å; D196-V199 PolarHBondContact O-N 3.06Å; D196-Y200 WeakPolarHBondContact O-CD2 3.06Å; D196-Y200 PolarHBondContact O-N 2.81Å
197	I	90.1	Very high	91.7	Very high	106 Å²	106	89.8 Å²	89.8	54%	0.544	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-33.7	179.2	-61.4	170.6	0	0	0	110.5	Y154 V199 Y200 R201	Y154-I197 HydrophobicContact CE2-CG2 3.93Å; I197-V199 VanDerWaalsContact C-N 3.3Å; I197-V199 PolarHBondContact O-N 2.87Å; I197-Y200 PolarHBondContact O-N 2.87Å; I197-R201 WeakPolarHBondContact O-CB 3.27Å; I197-R201 PolarHBondContact O-N 2.83Å
198	E	92	Very high	91.7	Very high	93 Å²	93	85.5 Å²	85.5	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-35.7	179.9	-176.8	55.3	-154.4	0	0	112.1	D196 R201 K202	D196-E198 PolarHBondContact O-N 2.92Å; D196-E198 PolarHBondContact OD1-N 3.41Å; E198-R201 PolarHBondContact O-N 2.9Å; E198-R201 IonicContact OE1-CZ 2.67Å; E198-R201 IonicContact OE1-NE 3.24Å; E198-R201 IonicContact OE1-NH2 2.62Å; E198-R201 PolarHBondContact OE1-NH2 3.11Å; E198-R201 IonicContact OE2-CZ 2.77Å; E198-R201 VanDerWaalsContact OE2-CZ 3.24Å; E198-R201 IonicContact OE2-NE 3.6Å; E198-R201 PolarHBondContact OE2-NE 2.76Å; E198-R201 IonicContact OE2-NH2 3.87Å; E198-R201 PolarHBondContact OE2-NH2 2.58Å; E198-K202 PolarHBondContact O-N 2.77Å; E198-K202 VanDerWaalsContact O-N 3.08Å
199	V	92.9	Very high	91.7	Very high	33 Å²	33	84.7 Å²	84.7	20%	0.2	40%	0.402	C	S	.	.	H	α-helix	trans	-65.7	-42	174.9	177.6	0	0	0	0	110.3	V188 A192 D196 I197 K202 H203	V188-V199 HydrophobicContact CG1-CG1 3.68Å; A192-V199 HydrophobicContact CB-CG1 3.85Å; D196-V199 HydrophobicContact CB-CG2 4.07Å; D196-V199 PolarHBondContact O-N 3.06Å; I197-V199 VanDerWaalsContact C-N 3.3Å; I197-V199 PolarHBondContact O-N 2.87Å; V199-K202 PolarHBondContact O-N 2.85Å; V199-H203 PolarHBondContact O-N 2.98Å; V199-H203 PolarHBondContact O-ND1 2.72Å
200	Y	93.9	Very high	91.8	Very high	12 Å²	12	84.6 Å²	84.6	5%	0.047	40%	0.402	C	S	.	.	H	α-helix	trans	-66	-42	176.5	-58.7	-39.1	0	0	0	112	L180 F185 V188 T189 D196 I197 K202 H203 S204	L180-Y200 HydrophobicContact CD2-CD1 3.9Å; L180-Y200 HydrophobicContact CD2-CG 4.44Å; F185-Y200 HydrophobicContact CD2-CD1 4.29Å; F185-Y200 AromaticContact CD2-CE1 4Å; F185-Y200 HydrophobicContact CD2-CE1 4Å; F185-Y200 HydrophobicContact CD2-CE2 4.48Å; F185-Y200 HydrophobicContact CE2-CD1 4.37Å; F185-Y200 HydrophobicContact CE2-CD2 4.25Å; F185-Y200 AromaticContact CE2-CE1 3.82Å; F185-Y200 HydrophobicContact CE2-CE1 3.82Å; F185-Y200 AromaticContact CE2-CE2 3.68Å; F185-Y200 HydrophobicContact CE2-CE2 3.68Å; F185-Y200 AromaticContact CE2-CZ 3.42Å; F185-Y200 VanDerWaalsContact CE2-CZ 3.42Å; F185-Y200 HydrophobicContact CZ-CE2 4.45Å; V188-Y200 HydrophobicContact CG1-CD1 3.87Å; V188-Y200 HydrophobicContact CG1-CE1 4.07Å; T189-Y200 VanDerWaalsContact OG1-CE1 3.3Å; T189-Y200 WeakPolarHBondContact OG1-CE1 3.27Å; T189-Y200 PolarHBondContact OG1-OH 2.97Å; D196-Y200 WeakPolarHBondContact O-CD2 3.06Å; D196-Y200 PolarHBondContact O-N 2.81Å; I197-Y200 PolarHBondContact O-N 2.87Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 2.87Å; Y200-H203 CarbonylContact O-C 3.6Å; Y200-H203 PolarHBondContact O-N 2.8Å; Y200-S204 WeakPolarHBondContact O-CB 3.28Å; Y200-S204 PolarHBondContact O-N 3.01Å
201	R	92.7	Very high	92	Very high	99 Å²	99	81.4 Å²	81.4	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-45	176.7	-168.4	175.4	70.7	96.1	-8.9	111.8	I197 E198 H203 S204	I197-R201 WeakPolarHBondContact O-CB 3.27Å; I197-R201 PolarHBondContact O-N 2.83Å; E198-R201 PolarHBondContact O-N 2.9Å; E198-R201 IonicContact OE1-CZ 2.67Å; E198-R201 IonicContact OE1-NE 3.24Å; E198-R201 IonicContact OE1-NH2 2.62Å; E198-R201 PolarHBondContact OE1-NH2 3.11Å; E198-R201 IonicContact OE2-CZ 2.77Å; E198-R201 VanDerWaalsContact OE2-CZ 3.24Å; E198-R201 IonicContact OE2-NE 3.6Å; E198-R201 PolarHBondContact OE2-NE 2.76Å; E198-R201 IonicContact OE2-NH2 3.87Å; E198-R201 PolarHBondContact OE2-NH2 2.58Å; R201-H203 VanDerWaalsContact C-N 3.31Å; R201-H203 PolarHBondContact O-N 3.44Å; R201-S204 PolarHBondContact O-N 2.86Å; R201-S204 PolarHBondContact O-OG 3.34Å
202	K	92.1	Very high	92.3	Very high	174 Å²	174	71.8 Å²	71.8	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-31.9	179.4	-173.9	175.9	179.4	178.7	0	113.8	E198 V199 Y200	E198-K202 PolarHBondContact O-N 2.77Å; E198-K202 VanDerWaalsContact O-N 3.08Å; V199-K202 PolarHBondContact O-N 2.85Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 2.87Å
203	H	92.4	Very high	92.6	Very high	103 Å²	103	69.9 Å²	69.9	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-99.9	0.2	-179.4	-61.6	88.9	0	0	0	113.4	L180 V188 V199 Y200 R201	L180-H203 WeakPolarHBondContact CD1-O 3.35Å; V188-H203 HydrophobicContact CG2-CB 3.78Å; V199-H203 PolarHBondContact O-N 2.98Å; V199-H203 PolarHBondContact O-ND1 2.72Å; Y200-H203 CarbonylContact O-C 3.6Å; Y200-H203 PolarHBondContact O-N 2.8Å; R201-H203 VanDerWaalsContact C-N 3.31Å; R201-H203 PolarHBondContact O-N 3.44Å
204	S	93.7	Very high	93	Very high	18 Å²	18	61.2 Å²	61.2	13%	0.126	29%	0.293	C	S	.	.			trans	-71.8	145.1	-177.9	68.3	0	0	0	0	112	Y179 Y200 R201	Y179-S204 WeakPolarHBondContact O-CA 3.48Å; Y179-S204 WeakPolarHBondContact O-CB 3.4Å; Y200-S204 WeakPolarHBondContact O-CB 3.28Å; Y200-S204 PolarHBondContact O-N 3.01Å; R201-S204 PolarHBondContact O-N 2.86Å; R201-S204 PolarHBondContact O-OG 3.34Å
205	R	93.4	Very high	93.5	Very high	137 Å²	137	59.4 Å²	59.4	52%	0.517	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	156.4	163.9	-66.3	-175.3	178.9	164.8	5.2	108.8	Q178 Y179 E184	Q178-R205 CarbonylContact C-O 3.59Å; Q178-R205 VanDerWaalsContact CA-O 3.28Å; Q178-R205 WeakPolarHBondContact CA-O 3.34Å; Y179-R205 HydrophobicContact CE1-CB 4.23Å; Y179-R205 HydrophobicContact CE2-CB 4.08Å; Y179-R205 PolarHBondContact N-O 3.16Å; Y179-R205 PolarHBondContact O-N 2.81Å; E184-R205 IonicContact OE1-CZ 3.06Å; E184-R205 IonicContact OE1-NE 3.58Å; E184-R205 PolarHBondContact OE1-NE 2.83Å; E184-R205 IonicContact OE1-NH1 3.94Å; E184-R205 IonicContact OE1-NH2 2.67Å; E184-R205 PolarHBondContact OE1-NH2 2.81Å; E184-R205 IonicContact OE2-NE 3.03Å
206	W	92.5	Very high	94	Very high	101 Å²	101	53.9 Å²	53.9	38%	0.383	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.7	175.5	50.1	-101.5	0	0	0	111.4	R176 A177 Q178 M230 D232	R176-W206 HydrophobicContact CG-CB 3.9Å; A177-W206 CarbonylContact O-C 3.6Å; A177-W206 VanDerWaalsContact O-CA 3.26Å; A177-W206 WeakPolarHBondContact O-CA 3.1Å; Q178-W206 HydrophobicContact CG-CB 4.14Å; W206-M230 HydrophobicContact CD2-CE 4.25Å; W206-M230 HydrophobicContact CD2-SD 4.37Å; W206-M230 HydrophobicContact CE3-CE 3.43Å; W206-M230 VanDerWaalsContact CE3-CE 3.43Å; W206-M230 HydrophobicContact CE3-SD 3.18Å; W206-M230 HydrophobicContact CH2-CE 3.21Å; W206-M230 HydrophobicContact CH2-SD 3.87Å; W206-M230 HydrophobicContact CZ2-CE 4.01Å; W206-M230 HydrophobicContact CZ3-CB 4.35Å; W206-M230 HydrophobicContact CZ3-CE 2.94Å; W206-M230 HydrophobicContact CZ3-CG 4.13Å; W206-M230 HydrophobicContact CZ3-SD 2.94Å; W206-M230 WeakPolarHBondContact CZ3-SD 3.47Å; W206-D232 WeakPolarHBondContact CH2-OD1 3.32Å; W206-D232 VanDerWaalsContact CZ3-OD1 3.22Å; W206-D232 WeakPolarHBondContact CZ3-OD1 3.36Å
207	F	91.9	Very high	94.1	Very high	45 Å²	45	51.8 Å²	51.8	20%	0.197	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	120.7	173.9	173.6	-96	0	0	0	108	I126 W175 R176 A177 Y179 R228	I126-F207 HydrophobicContact CD1-CE1 4.15Å; I126-F207 HydrophobicContact CD1-CZ 4.24Å; I126-F207 HydrophobicContact CG2-CZ 3.86Å; W175-F207 HydrophobicContact CH2-CD1 4.15Å; W175-F207 AromaticContact CH2-CE1 3.75Å; W175-F207 HydrophobicContact CH2-CE1 3.75Å; W175-F207 AromaticContact CZ3-CD1 3.84Å; W175-F207 HydrophobicContact CZ3-CD1 3.84Å; W175-F207 AromaticContact CZ3-CE1 3.94Å; W175-F207 HydrophobicContact CZ3-CE1 3.94Å; R176-F207 CarbonylContact C-O 3.58Å; R176-F207 WeakPolarHBondContact CA-O 3.28Å; A177-F207 PolarHBondContact N-O 2.89Å; A177-F207 PolarHBondContact O-N 2.82Å; Y179-F207 HydrophobicContact CE1-CB 4.07Å; F207-R228 HydrophobicContact CE2-CG 3.83Å; F207-R228 HydrophobicContact CZ-CB 4.38Å; F207-R228 HydrophobicContact CZ-CG 3.87Å
208	D	93.7	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.2	174.7	-57.9	-6.2	0	0	0	112.1	I160 R174 W175 R176 V229 M230	I160-D208 WeakPolarHBondContact CD1-OD2 3.22Å; R174-D208 IonicContact CZ-OD2 3.69Å; R174-D208 IonicContact NE-OD2 3.58Å; R174-D208 IonicContact NH2-OD2 2.9Å; R174-D208 PolarHBondContact NH2-OD2 2.69Å; W175-D208 VanDerWaalsContact O-CA 3.27Å; W175-D208 WeakPolarHBondContact O-CA 3.27Å; W175-D208 WeakPolarHBondContact O-CB 3.22Å; R176-D208 WeakPolarHBondContact CB-OD1 3.29Å; R176-D208 WeakPolarHBondContact CD-OD1 2.82Å; R176-D208 WeakPolarHBondContact CG-OD1 3.46Å; R176-D208 IonicContact CZ-OD1 3.84Å; R176-D208 IonicContact CZ-OD2 3.49Å; R176-D208 IonicContact NE-OD1 3.59Å; R176-D208 PolarHBondContact NE-OD1 2.82Å; R176-D208 IonicContact NE-OD2 2.68Å; R176-D208 IonicContact NH2-OD1 3.45Å; R176-D208 PolarHBondContact NH2-OD1 2.78Å; R176-D208 IonicContact NH2-OD2 3.45Å; R176-D208 PolarHBondContact NH2-OD2 2.89Å; D208-V229 HydrophobicContact CB-CB 4.45Å; D208-V229 PolarHBondContact O-N 3.22Å; D208-M230 HydrophobicContact CB-CE 4.35Å; D208-M230 HydrophobicContact CB-CG 3.66Å; D208-M230 HydrophobicContact CB-SD 3.21Å; D208-M230 WeakPolarHBondContact CB-SD 3.38Å; D208-M230 PolarHBondContact N-SD 3.34Å; D208-M230 VanDerWaalsContact N-SD 3.36Å; D208-M230 VanDerWaalsContact OD1-SD 3.39Å; D208-M230 VanDerWaalsContact OD2-CE 3.22Å; D208-M230 WeakPolarHBondContact OD2-CE 3.11Å
209	G	95.3	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.6	165.2	0	0	0	0	0	111.8	W175 D227	W175-G209 PolarHBondContact N-O 2.89Å; W175-G209 PolarHBondContact O-N 3.24Å; W175-G209 VanDerWaalsContact O-O 3.14Å; G209-D227 CarbonylContact C-O 3.54Å; G209-D227 WeakPolarHBondContact CA-O 3.45Å
210	V	95.9	Very high	94.6	Very high	32 Å²	32	48.1 Å²	48.1	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.8	165.8	64.2	0	0	0	0	107.8	L173 D227 V229	L173-V210 CarbonylContact O-C 3.55Å; L173-V210 WeakPolarHBondContact O-CA 3.13Å; V210-D227 HydrophobicContact CG1-CB 3.63Å; V210-D227 PolarHBondContact N-O 3.42Å; V210-D227 PolarHBondContact O-N 3.45Å; V210-V229 HydrophobicContact CB-CG2 3.45Å; V210-V229 VanDerWaalsContact CB-CG2 3.45Å; V210-V229 HydrophobicContact CG1-CG2 3.44Å; V210-V229 VanDerWaalsContact CG1-CG2 3.44Å
211	S	97.3	Very high	94.7	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128	174.3	-76.8	0	0	0	0	109.4	L173 W175 F213 H224 V225	L173-S211 PolarHBondContact N-O 2.86Å; L173-S211 PolarHBondContact O-N 2.89Å; W175-S211 PolarHBondContact NE1-OG 2.94Å; S211-F213 VanDerWaalsContact CB-CE2 3.45Å; S211-H224 VanDerWaalsContact CB-NE2 3.33Å; S211-H224 WeakPolarHBondContact CB-NE2 3.46Å; S211-H224 PolarHBondContact OG-NE2 3.31Å; S211-V225 CarbonylContact C-O 3.58Å; S211-V225 WeakPolarHBondContact CA-O 3.5Å
212	S	97.4	Very high	94.8	Very high	24 Å²	24	43.5 Å²	43.5	17%	0.168	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.5	174.1	-58.4	0	0	0	0	109.2	H224 V225	S212-H224 WeakPolarHBondContact O-CA 3.23Å; S212-V225 PolarHBondContact N-O 2.86Å; S212-V225 PolarHBondContact O-N 2.78Å
213	F	97.6	Very high	95	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.6	179.6	-58.9	-89.6	0	0	0	109.5	L99 Y116 V170 V171 L173 S211 V221 H224	L99-F213 HydrophobicContact CD1-CD2 3.51Å; L99-F213 HydrophobicContact CD1-CE2 3.68Å; L99-F213 HydrophobicContact CD1-CG 4.01Å; L99-F213 HydrophobicContact CD1-CZ 4.31Å; L99-F213 HydrophobicContact CD2-CD1 4.32Å; L99-F213 HydrophobicContact CD2-CD2 4.26Å; L99-F213 HydrophobicContact CD2-CE1 3.86Å; L99-F213 HydrophobicContact CD2-CE2 3.78Å; L99-F213 HydrophobicContact CD2-CZ 3.56Å; L99-F213 HydrophobicContact CG-CE2 4.4Å; Y116-F213 HydrophobicContact CE1-CD1 4.38Å; Y116-F213 HydrophobicContact CE1-CE1 4.43Å; Y116-F213 WeakPolarHBondContact OH-CE1 3.22Å; V170-F213 CarbonylContact C-O 3.49Å; V170-F213 VanDerWaalsContact CA-O 3.32Å; V170-F213 WeakPolarHBondContact CA-O 3.27Å; V171-F213 HydrophobicContact CB-CB 4.32Å; V171-F213 PolarHBondContact N-O 3.34Å; V171-F213 PolarHBondContact O-N 3.41Å; L173-F213 HydrophobicContact CB-CD2 4.3Å; L173-F213 HydrophobicContact CB-CE2 3.76Å; L173-F213 HydrophobicContact CD2-CE2 3.72Å; L173-F213 HydrophobicContact CD2-CZ 4.16Å; L173-F213 HydrophobicContact CG-CE2 4.4Å; S211-F213 VanDerWaalsContact CB-CE2 3.45Å; F213-V221 HydrophobicContact CB-CG1 4.18Å; F213-V221 HydrophobicContact CB-CG2 4.29Å; F213-V221 HydrophobicContact CD1-CG1 4.11Å; F213-H224 HydrophobicContact CD1-CB 4.03Å; F213-H224 AromaticContact CD1-CD2 3.76Å; F213-H224 AromaticContact CD1-CG 3.78Å; F213-H224 HydrophobicContact CE1-CB 4.22Å; F213-H224 AromaticContact CE1-CD2 3.41Å; F213-H224 VanDerWaalsContact CE1-CD2 3.41Å; F213-H224 WeakPolarHBondContact CE1-CD2 3.38Å; F213-H224 AromaticContact CE1-CE1 3.64Å; F213-H224 AromaticContact CE1-CG 3.51Å; F213-H224 AromaticContact CE1-ND1 3.63Å; F213-H224 AromaticContact CE1-NE2 3.54Å; F213-H224 AromaticContact CZ-CD2 3.78Å; F213-H224 AromaticContact CZ-CE1 3.88Å; F213-H224 AromaticContact CZ-NE2 3.53Å
214	Y	96.8	Very high	95.3	Very high	51 Å²	51	33.8 Å²	33.8	20%	0.2	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.4	177.9	-57.7	-109.5	0	0	0	110	V170 V221 Y222 K223 V225	V170-Y214 HydrophobicContact CG2-CD1 3.29Å; V170-Y214 HydrophobicContact CG2-CE1 3.4Å; V170-Y214 VanDerWaalsContact CG2-CE1 3.4Å; V170-Y214 HydrophobicContact CG2-CG 3.86Å; Y214-V221 WeakPolarHBondContact O-CA 3.44Å; Y214-Y222 WeakPolarHBondContact CB-OH 3.36Å; Y214-Y222 WeakPolarHBondContact O-CD1 3.44Å; Y214-Y222 WeakPolarHBondContact O-CE1 3.45Å; Y214-Y222 PolarHBondContact O-N 3.45Å; Y214-Y222 VanDerWaalsContact O-N 3.09Å; Y214-K223 HydrophobicContact CD2-CB 3.86Å; Y214-K223 HydrophobicContact CD2-CD 3.85Å; Y214-K223 HydrophobicContact CD2-CG 3.84Å; Y214-K223 HydrophobicContact CE2-CD 4Å; Y214-K223 HydrophobicContact CE2-CG 4.29Å; Y214-K223 HydrophobicContact CG-CB 4.15Å; Y214-K223 HydrophobicContact CG-CD 4.32Å; Y214-K223 HydrophobicContact CG-CG 4.5Å; Y214-K223 PolarHBondContact N-O 3.46Å; Y214-V225 HydrophobicContact CE2-CG2 3.88Å
215	V	96.5	Very high	95.5	Very high	3 Å²	3	33 Å²	33	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.4	-173.4	-171.2	0	0	0	0	109.7	P87 L92 V95 G169 V171 L220 V221	P87-V215 HydrophobicContact CB-CB 4.24Å; P87-V215 HydrophobicContact CB-CG1 4.02Å; P87-V215 WeakPolarHBondContact CD-O 3.34Å; P87-V215 HydrophobicContact CG-CB 4.24Å; L92-V215 HydrophobicContact CD2-CB 3.93Å; L92-V215 HydrophobicContact CD2-CG1 4.49Å; L92-V215 HydrophobicContact CD2-CG2 3.85Å; V95-V215 HydrophobicContact CB-CG2 4.47Å; V95-V215 HydrophobicContact CG1-CG2 4.37Å; V95-V215 HydrophobicContact CG2-CG1 4.34Å; V95-V215 HydrophobicContact CG2-CG2 4.02Å; G169-V215 PolarHBondContact O-N 2.84Å; V171-V215 HydrophobicContact CG2-CG2 4.38Å; V215-L220 WeakPolarHBondContact CA-O 3.41Å; V215-V221 HydrophobicContact CG2-CG2 4.18Å
216	G	94.6	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.			trans	-86	175.3	176.2	0	0	0	0	0	112.9	P87 D218 G219 L220	P87-G216 WeakPolarHBondContact CB-O 3.42Å; G216-D218 WeakPolarHBondContact CA-OD1 3.32Å; G216-D218 PolarHBondContact O-N 3.33Å; G216-G219 PolarHBondContact O-N 3.31Å; G216-L220 PolarHBondContact N-O 2.81Å
217	A	93.7	Very high	95.8	Very high	46 Å²	46	23.8 Å²	23.8	38%	0.38	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.8	175	0	0	0	0	0	113.7	R84 Q91 G219	R84-A217 WeakPolarHBondContact O-CB 3.32Å; R84-A217 PolarHBondContact O-N 3.31Å; Q91-A217 PolarHBondContact NE2-O 3.31Å; Q91-A217 PolarHBondContact OE1-O 2.97Å; A217-G219 PolarHBondContact O-N 2.89Å
218	D	93.2	Very high	95.8	Very high	90 Å²	90	26.9 Å²	26.9	48%	0.481	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.7	170.5	58.4	-6	0	0	0	113.2	G216 L220	G216-D218 WeakPolarHBondContact CA-OD1 3.32Å; G216-D218 PolarHBondContact O-N 3.33Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 HydrophobicContact CB-CG 4.43Å; D218-L220 PolarHBondContact OD1-N 3.42Å
219	G	94.8	Very high	95.3	Very high	9 Å²	9	29.8 Å²	29.8	9%	0.093	16%	0.158	C	C	.	.	S	Bend	trans	77.6	11	-175.2	0	0	0	0	0	113.7	Q91 G216 A217	Q91-G219 VanDerWaalsContact CD-CA 3.5Å; G216-G219 PolarHBondContact O-N 3.31Å; A217-G219 PolarHBondContact O-N 2.89Å
220	L	96.4	Very high	94.1	Very high	56 Å²	56	31.3 Å²	31.3	29%	0.293	17%	0.165	S	C	.	.			trans	-98.9	145.1	178.1	-59.4	178.6	0	0	0	111.1	F115 A117 V215 G216 D218 Y222	F115-L220 WeakPolarHBondContact O-CA 3.2Å; A117-L220 HydrophobicContact CB-CB 4.19Å; V215-L220 WeakPolarHBondContact CA-O 3.41Å; G216-L220 PolarHBondContact N-O 2.81Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 HydrophobicContact CB-CG 4.43Å; D218-L220 PolarHBondContact OD1-N 3.42Å; L220-Y222 PolarHBondContact O-N 3.49Å
221	V	96.9	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.1	173.9	177.3	0	0	0	0	109.3	V95 F115 Y116 A117 F213 Y214 V215	V95-V221 HydrophobicContact CG1-CG2 4.03Å; V95-V221 HydrophobicContact CG2-CG2 4.27Å; F115-V221 HydrophobicContact CD2-CG2 3.89Å; F115-V221 HydrophobicContact CE2-CG2 4.17Å; F115-V221 PolarHBondContact O-N 2.98Å; Y116-V221 HydrophobicContact CD1-CB 3.68Å; Y116-V221 HydrophobicContact CD1-CG1 3.72Å; Y116-V221 HydrophobicContact CE1-CB 4.02Å; Y116-V221 HydrophobicContact CE1-CG1 3.76Å; Y116-V221 HydrophobicContact CG-CB 4.3Å; A117-V221 PolarHBondContact N-O 2.88Å; F213-V221 HydrophobicContact CB-CG1 4.18Å; F213-V221 HydrophobicContact CB-CG2 4.29Å; F213-V221 HydrophobicContact CD1-CG1 4.11Å; Y214-V221 WeakPolarHBondContact O-CA 3.44Å; V215-V221 HydrophobicContact CG2-CG2 4.18Å
222	Y	95.6	Very high	90	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-16.1	177.5	70.2	-89.3	0	0	0	113	F81 V120 L121 Y214 L220	F81-Y222 HydrophobicContact CD2-CE1 4.44Å; F81-Y222 AromaticContact CD2-CE2 3.73Å; F81-Y222 HydrophobicContact CD2-CE2 3.73Å; F81-Y222 AromaticContact CD2-CZ 3.45Å; F81-Y222 VanDerWaalsContact CD2-CZ 3.45Å; F81-Y222 WeakPolarHBondContact CD2-OH 3.48Å; F81-Y222 HydrophobicContact CE2-CE2 4.45Å; F81-Y222 AromaticContact CE2-CZ 3.77Å; F81-Y222 WeakPolarHBondContact CE2-OH 3.35Å; V120-Y222 CarbonylContact C-O 3.59Å; V120-Y222 WeakPolarHBondContact CA-O 3.46Å; L121-Y222 PolarHBondContact N-O 2.99Å; Y214-Y222 WeakPolarHBondContact CB-OH 3.36Å; Y214-Y222 WeakPolarHBondContact O-CD1 3.44Å; Y214-Y222 WeakPolarHBondContact O-CE1 3.45Å; Y214-Y222 PolarHBondContact O-N 3.45Å; Y214-Y222 VanDerWaalsContact O-N 3.09Å; L220-Y222 PolarHBondContact O-N 3.49Å
223	K	96.5	Very high	87.9	Confident	61 Å²	61	44.4 Å²	44.4	27%	0.265	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.5	175.6	-177	-178.1	-179.6	-177.3	0	110.9	L121 Y214 V225	L121-K223 HydrophobicContact CB-CG 4.45Å; L121-K223 HydrophobicContact CD2-CD 4.47Å; L121-K223 HydrophobicContact CD2-CG 4.45Å; L121-K223 CarbonylContact O-C 3.48Å; L121-K223 VanDerWaalsContact O-CA 3.27Å; L121-K223 WeakPolarHBondContact O-CA 3.27Å; Y214-K223 HydrophobicContact CD2-CB 3.86Å; Y214-K223 HydrophobicContact CD2-CD 3.85Å; Y214-K223 HydrophobicContact CD2-CG 3.84Å; Y214-K223 HydrophobicContact CE2-CD 4Å; Y214-K223 HydrophobicContact CE2-CG 4.29Å; Y214-K223 HydrophobicContact CG-CB 4.15Å; Y214-K223 HydrophobicContact CG-CD 4.32Å; Y214-K223 HydrophobicContact CG-CG 4.5Å; Y214-K223 PolarHBondContact N-O 3.46Å; K223-V225 HydrophobicContact CD-CG2 4.36Å; K223-V225 HydrophobicContact CG-CG2 4.21Å
224	H	97.4	Very high	85.9	Confident	12 Å²	12	50 Å²	50	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.8	173.7	172	-157.9	0	0	0	108.8	L121 F122 T123 Y137 S211 S212 F213	L121-H224 PolarHBondContact O-N 3.36Å; F122-H224 CarbonylContact C-O 3.5Å; F122-H224 WeakPolarHBondContact CA-O 3.21Å; F122-H224 HydrophobicContact CD2-CB 3.93Å; F122-H224 AromaticContact CD2-CE1 3.92Å; F122-H224 AromaticContact CD2-CG 3.62Å; F122-H224 AromaticContact CD2-ND1 3.33Å; F122-H224 VanDerWaalsContact CD2-ND1 3.33Å; F122-H224 WeakPolarHBondContact CD2-ND1 3.38Å; F122-H224 WeakPolarHBondContact CD2-O 3.32Å; F122-H224 AromaticContact CE2-CE1 3.48Å; F122-H224 VanDerWaalsContact CE2-CE1 3.48Å; F122-H224 WeakPolarHBondContact CE2-CE1 3.04Å; F122-H224 AromaticContact CE2-CG 3.89Å; F122-H224 AromaticContact CE2-ND1 3.4Å; F122-H224 WeakPolarHBondContact CE2-ND1 3.11Å; F122-H224 AromaticContact CE2-NE2 3.99Å; T123-H224 PolarHBondContact N-O 3.38Å; Y137-H224 AromaticContact CE2-ND1 3.76Å; Y137-H224 AromaticContact CZ-ND1 3.66Å; Y137-H224 PolarHBondContact OH-ND1 2.74Å; S211-H224 VanDerWaalsContact CB-NE2 3.33Å; S211-H224 WeakPolarHBondContact CB-NE2 3.46Å; S211-H224 PolarHBondContact OG-NE2 3.31Å; S212-H224 WeakPolarHBondContact O-CA 3.23Å; F213-H224 HydrophobicContact CD1-CB 4.03Å; F213-H224 AromaticContact CD1-CD2 3.76Å; F213-H224 AromaticContact CD1-CG 3.78Å; F213-H224 HydrophobicContact CE1-CB 4.22Å; F213-H224 AromaticContact CE1-CD2 3.41Å; F213-H224 VanDerWaalsContact CE1-CD2 3.41Å; F213-H224 WeakPolarHBondContact CE1-CD2 3.38Å; F213-H224 AromaticContact CE1-CE1 3.64Å; F213-H224 AromaticContact CE1-CG 3.51Å; F213-H224 AromaticContact CE1-ND1 3.63Å; F213-H224 AromaticContact CE1-NE2 3.54Å; F213-H224 AromaticContact CZ-CD2 3.78Å; F213-H224 AromaticContact CZ-CE1 3.88Å; F213-H224 AromaticContact CZ-NE2 3.53Å
225	V	97.4	Very high	84	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127	175.6	-177	0	0	0	0	108.6	T123 R125 S211 S212 Y214 K223	T123-V225 WeakPolarHBondContact O-CA 3.35Å; R125-V225 HydrophobicContact CG-CG1 4.48Å; S211-V225 CarbonylContact C-O 3.58Å; S211-V225 WeakPolarHBondContact CA-O 3.5Å; S212-V225 PolarHBondContact N-O 2.86Å; S212-V225 PolarHBondContact O-N 2.78Å; Y214-V225 HydrophobicContact CE2-CG2 3.88Å; K223-V225 HydrophobicContact CD-CG2 4.36Å; K223-V225 HydrophobicContact CG-CG2 4.21Å
226	A	97.1	Very high	81.9	Confident	5 Å²	5	57.4 Å²	57.4	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.1	175.8	0	0	0	0	0	110.6	F122 T123 R125 I126	F122-A226 HydrophobicContact CE2-CB 3.94Å; F122-A226 HydrophobicContact CZ-CB 4.17Å; T123-A226 PolarHBondContact O-N 2.86Å; R125-A226 WeakPolarHBondContact CB-O 3.49Å; R125-A226 PolarHBondContact N-O 3.21Å; I126-A226 HydrophobicContact CD1-CB 4.43Å
227	D	95.1	Very high	80.1	Confident	39 Å²	39	61.1 Å²	61.1	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.5	-174	-86.3	-50.9	0	0	0	111.1	R125 G209 V210	R125-D227 WeakPolarHBondContact CB-OD1 3.44Å; R125-D227 WeakPolarHBondContact CD-OD1 3.46Å; R125-D227 IonicContact CZ-OD2 3.62Å; R125-D227 IonicContact NE-OD1 3.52Å; R125-D227 IonicContact NH1-OD1 2.72Å; R125-D227 IonicContact NH1-OD2 3.31Å; R125-D227 PolarHBondContact NH1-OD2 2.93Å; G209-D227 CarbonylContact C-O 3.54Å; G209-D227 WeakPolarHBondContact CA-O 3.45Å; V210-D227 HydrophobicContact CG1-CB 3.63Å; V210-D227 PolarHBondContact N-O 3.42Å; V210-D227 PolarHBondContact O-N 3.45Å
228	R	92.5	Very high	78.3	Confident	110 Å²	110	61.2 Å²	61.2	42%	0.415	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.6	174.7	-176.2	176.5	179.4	169.8	7.8	109.5	I126 F207 M230 E235	I126-R228 HydrophobicContact CG1-CB 4.23Å; F207-R228 HydrophobicContact CE2-CG 3.83Å; F207-R228 HydrophobicContact CZ-CB 4.38Å; F207-R228 HydrophobicContact CZ-CG 3.87Å; R228-M230 PolarHBondContact NE-O 3.27Å; R228-M230 VanDerWaalsContact NE-O 3.16Å; R228-E235 IonicContact CZ-OE2 3.96Å; R228-E235 IonicContact NH1-OE1 3.39Å; R228-E235 IonicContact NH1-OE2 2.89Å; R228-E235 IonicContact NH2-OE1 3.67Å; R228-E235 IonicContact NH2-OE2 3.23Å; R228-E235 PolarHBondContact NH2-OE2 2.93Å
229	V	83.7	Confident	76.4	Confident	60 Å²	60	58.3 Å²	58.3	36%	0.364	29%	0.292	S	S	.	.			trans	-98.7	-21.5	-178.6	174.2	0	0	0	0	112.5	D208 V210	D208-V229 HydrophobicContact CB-CB 4.45Å; D208-V229 PolarHBondContact O-N 3.22Å; V210-V229 HydrophobicContact CB-CG2 3.45Å; V210-V229 VanDerWaalsContact CB-CG2 3.45Å; V210-V229 HydrophobicContact CG1-CG2 3.44Å; V210-V229 VanDerWaalsContact CG1-CG2 3.44Å
230	M	68.9	Low	74.3	Confident	32 Å²	32	63.4 Å²	63.4	16%	0.158	31%	0.311	C	S	.	.			trans	-100.3	115.1	-170.4	-74.1	175.9	127.5	0	0	114.1	W206 D208 R228	W206-M230 HydrophobicContact CD2-CE 4.25Å; W206-M230 HydrophobicContact CD2-SD 4.37Å; W206-M230 HydrophobicContact CE3-CE 3.43Å; W206-M230 VanDerWaalsContact CE3-CE 3.43Å; W206-M230 HydrophobicContact CE3-SD 3.18Å; W206-M230 HydrophobicContact CH2-CE 3.21Å; W206-M230 HydrophobicContact CH2-SD 3.87Å; W206-M230 HydrophobicContact CZ2-CE 4.01Å; W206-M230 HydrophobicContact CZ3-CB 4.35Å; W206-M230 HydrophobicContact CZ3-CE 2.94Å; W206-M230 HydrophobicContact CZ3-CG 4.13Å; W206-M230 HydrophobicContact CZ3-SD 2.94Å; W206-M230 WeakPolarHBondContact CZ3-SD 3.47Å; D208-M230 HydrophobicContact CB-CE 4.35Å; D208-M230 HydrophobicContact CB-CG 3.66Å; D208-M230 HydrophobicContact CB-SD 3.21Å; D208-M230 WeakPolarHBondContact CB-SD 3.38Å; D208-M230 PolarHBondContact N-SD 3.34Å; D208-M230 VanDerWaalsContact N-SD 3.36Å; D208-M230 VanDerWaalsContact OD1-SD 3.39Å; D208-M230 VanDerWaalsContact OD2-CE 3.22Å; D208-M230 WeakPolarHBondContact OD2-CE 3.11Å; R228-M230 PolarHBondContact NE-O 3.27Å; R228-M230 VanDerWaalsContact NE-O 3.16Å
231	R	56	Low	72.4	Confident	192 Å²	192	68.7 Å²	68.7	73%	0.725	33%	0.327	S	S	*	.			trans	-90.3	98.2	152.5	-173.8	178.3	-168.9	159.4	2.1	106.6	P233	R231-P233 WeakPolarHBondContact O-CD 3.4Å
232	D	51.2	Low	70.3	Confident	46 Å²	46	75.1 Å²	75.1	25%	0.246	36%	0.355	C	S	.	.			trans	-63.4	126.5	164	-69.9	-25.2	0	0	0	107	W206 D234 E235 Y236	W206-D232 WeakPolarHBondContact CH2-OD1 3.32Å; W206-D232 VanDerWaalsContact CZ3-OD1 3.22Å; W206-D232 WeakPolarHBondContact CZ3-OD1 3.36Å; D232-D234 PolarHBondContact O-N 3.09Å; D232-D234 VanDerWaalsContact O-N 3.16Å; D232-E235 HydrophobicContact CB-CB 3.68Å; D232-E235 PolarHBondContact O-N 2.98Å; D232-E235 VanDerWaalsContact O-N 3.09Å; D232-Y236 PolarHBondContact O-N 3.06Å
233	P	53.6	Low	68.3	Low	100 Å²	100	82.1 Å²	82.1	65%	0.649	39%	0.386	S	S	*	.	H	α-helix	trans	-54.4	-33.2	171.4	21.7	-30.7	0	0	0	110.3	R231	R231-P233 WeakPolarHBondContact O-CD 3.4Å
234	D	56.8	Low	66.2	Low	121 Å²	121	80.7 Å²	80.7	65%	0.647	39%	0.389	S	S	*	.	H	α-helix	trans	-77.7	-22.7	179.7	-58.6	-32.5	0	0	0	114.2	D232 E237 S238	D232-D234 PolarHBondContact O-N 3.09Å; D232-D234 VanDerWaalsContact O-N 3.16Å; D234-E237 WeakPolarHBondContact O-CB 3.44Å; D234-E237 PolarHBondContact O-N 3.44Å; D234-S238 VanDerWaalsContact O-CB 3.22Å; D234-S238 WeakPolarHBondContact O-CB 3.33Å; D234-S238 PolarHBondContact O-N 3.06Å
235	E	56.6	Low	64.3	Low	90 Å²	90	85.3 Å²	85.3	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-80.2	-30.4	177.5	-168.6	173.5	-175.1	0	0	111.4	R228 D232 E237 G239	R228-E235 IonicContact CZ-OE2 3.96Å; R228-E235 IonicContact NH1-OE1 3.39Å; R228-E235 IonicContact NH1-OE2 2.89Å; R228-E235 IonicContact NH2-OE1 3.67Å; R228-E235 IonicContact NH2-OE2 3.23Å; R228-E235 PolarHBondContact NH2-OE2 2.93Å; D232-E235 HydrophobicContact CB-CB 3.68Å; D232-E235 PolarHBondContact O-N 2.98Å; D232-E235 VanDerWaalsContact O-N 3.09Å; E235-E237 PolarHBondContact O-N 2.92Å; E235-G239 PolarHBondContact O-N 3.46Å
236	Y	52.6	Low	62.3	Low	121 Å²	121	89.7 Å²	89.7	48%	0.475	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-34.9	166.9	-172.1	-103.4	0	0	0	111.4	D232 K240	D232-Y236 PolarHBondContact O-N 3.06Å; Y236-K240 VanDerWaalsContact CE1-NZ 3.27Å; Y236-K240 VanDerWaalsContact CZ-NZ 3.33Å; Y236-K240 WeakPolarHBondContact OH-CE 3.45Å; Y236-K240 PolarHBondContact OH-NZ 3.5Å
237	E	55.7	Low	60.6	Low	78 Å²	78	92 Å²	92	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-78.9	-46.5	176.8	-74.8	-69.2	129.6	0	0	113	D234 E235 K240 R241	D234-E237 WeakPolarHBondContact O-CB 3.44Å; D234-E237 PolarHBondContact O-N 3.44Å; E235-E237 PolarHBondContact O-N 2.92Å; E237-K240 PolarHBondContact O-N 3.31Å; E237-R241 WeakPolarHBondContact O-CG 3.43Å; E237-R241 PolarHBondContact O-N 3.26Å; E237-R241 IonicContact OE2-CZ 3.61Å; E237-R241 IonicContact OE2-NE 3.71Å; E237-R241 IonicContact OE2-NH2 2.92Å; E237-R241 PolarHBondContact OE2-NH2 2.92Å
238	S	55.5	Low	58.9	Low	47 Å²	47	98.5 Å²	98.5	33%	0.329	48%	0.479	S	S	.	.	H	α-helix	trans	-69.7	-35.9	-175.8	-169.7	0	0	0	0	112.3	D234 R241 K242	D234-S238 VanDerWaalsContact O-CB 3.22Å; D234-S238 WeakPolarHBondContact O-CB 3.33Å; D234-S238 PolarHBondContact O-N 3.06Å; S238-R241 PolarHBondContact O-N 3.27Å; S238-K242 WeakPolarHBondContact O-CB 3.46Å; S238-K242 VanDerWaalsContact O-CG 3.31Å; S238-K242 WeakPolarHBondContact O-CG 2.88Å; S238-K242 PolarHBondContact O-N 3Å
239	G	54.7	Low	57.7	Low	30 Å²	30	99 Å²	99	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-56.9	-51.7	170.2	0	0	0	0	0	111.3	E235 R241 K242 F243	E235-G239 PolarHBondContact O-N 3.46Å; G239-R241 PolarHBondContact O-N 2.96Å; G239-K242 PolarHBondContact O-N 3.15Å; G239-F243 VanDerWaalsContact O-CD2 3.24Å; G239-F243 WeakPolarHBondContact O-CD2 2.8Å; G239-F243 PolarHBondContact O-N 3.16Å
240	K	51	Low	56.7	Low	116 Å²	116	102.9 Å²	102.9	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.4	-75.9	-176.7	-177.4	178.2	0	112.7	Y236 E237 F243 G244	Y236-K240 VanDerWaalsContact CE1-NZ 3.27Å; Y236-K240 VanDerWaalsContact CZ-NZ 3.33Å; Y236-K240 WeakPolarHBondContact OH-CE 3.45Å; Y236-K240 PolarHBondContact OH-NZ 3.5Å; E237-K240 PolarHBondContact O-N 3.31Å; K240-F243 PolarHBondContact O-N 3.33Å; K240-G244 PolarHBondContact O-N 3.16Å
241	R	54.9	Low	56.1	Low	166 Å²	166	104.4 Å²	104.4	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-65.6	-38.1	178.5	-69.4	176.3	-156	175	9.3	112.5	E237 S238 G239 G244 L245	E237-R241 WeakPolarHBondContact O-CG 3.43Å; E237-R241 PolarHBondContact O-N 3.26Å; E237-R241 IonicContact OE2-CZ 3.61Å; E237-R241 IonicContact OE2-NE 3.71Å; E237-R241 IonicContact OE2-NH2 2.92Å; E237-R241 PolarHBondContact OE2-NH2 2.92Å; S238-R241 PolarHBondContact O-N 3.27Å; G239-R241 PolarHBondContact O-N 2.96Å; R241-G244 CarbonylContact O-C 3.55Å; R241-G244 PolarHBondContact O-N 3.05Å; R241-L245 WeakPolarHBondContact O-CB 3.04Å; R241-L245 PolarHBondContact O-N 2.73Å
242	K	54.3	Low	56	Low	135 Å²	135	103.5 Å²	103.5	59%	0.587	53%	0.526	S	S	*	.	H	α-helix	trans	-70.2	-40.2	177.2	-72.9	176.8	-176.3	176.3	0	112.3	S238 G239 G244 L245 L246	S238-K242 WeakPolarHBondContact O-CB 3.46Å; S238-K242 VanDerWaalsContact O-CG 3.31Å; S238-K242 WeakPolarHBondContact O-CG 2.88Å; S238-K242 PolarHBondContact O-N 3Å; G239-K242 PolarHBondContact O-N 3.15Å; K242-G244 VanDerWaalsContact C-N 3.31Å; K242-L245 PolarHBondContact O-N 3.38Å; K242-L246 WeakPolarHBondContact O-CG 3.48Å; K242-L246 PolarHBondContact O-N 3.27Å
243	F	53.7	Low	56.2	Low	161 Å²	161	106.3 Å²	106.3	71%	0.706	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-37.6	170	-82.4	-76.3	0	0	0	111.7	G239 K240 S247	G239-F243 VanDerWaalsContact O-CD2 3.24Å; G239-F243 WeakPolarHBondContact O-CD2 2.8Å; G239-F243 PolarHBondContact O-N 3.16Å; K240-F243 PolarHBondContact O-N 3.33Å; F243-S247 WeakPolarHBondContact O-CB 3.44Å; F243-S247 PolarHBondContact O-N 3.19Å; F243-S247 PolarHBondContact O-OG 3.39Å
244	G	51.8	Low	56.2	Low	32 Å²	32	107.2 Å²	107.2	33%	0.33	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-31	174.3	0	0	0	0	0	114.9	K240 R241 K242 S247 K248	K240-G244 PolarHBondContact O-N 3.16Å; R241-G244 CarbonylContact O-C 3.55Å; R241-G244 PolarHBondContact O-N 3.05Å; K242-G244 VanDerWaalsContact C-N 3.31Å; G244-S247 WeakPolarHBondContact CA-OG 3.42Å; G244-S247 PolarHBondContact O-OG 2.87Å; G244-K248 PolarHBondContact O-N 3.14Å
245	L	56.9	Low	56.1	Low	109 Å²	109	110.4 Å²	110.4	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-77.7	-40.2	175.7	-164.2	79.1	0	0	0	111.2	R241 K242 K248 I249	R241-L245 WeakPolarHBondContact O-CB 3.04Å; R241-L245 PolarHBondContact O-N 2.73Å; K242-L245 PolarHBondContact O-N 3.38Å; L245-K248 PolarHBondContact O-N 3.15Å; L245-I249 HydrophobicContact CD2-CD1 4.49Å; L245-I249 HydrophobicContact CG-CD1 4.24Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.09Å
246	L	55.8	Low	55.7	Low	93 Å²	93	111.9 Å²	111.9	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-37.3	175.5	-70.4	173.4	0	0	0	111.7	K242 K248 I249 F250	K242-L246 WeakPolarHBondContact O-CG 3.48Å; K242-L246 PolarHBondContact O-N 3.27Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 3.22Å; L246-I249 PolarHBondContact O-N 2.92Å; L246-F250 HydrophobicContact CD2-CD2 4.45Å; L246-F250 HydrophobicContact CD2-CE2 4.28Å; L246-F250 WeakPolarHBondContact O-CB 3.47Å; L246-F250 WeakPolarHBondContact O-CD2 3.41Å; L246-F250 PolarHBondContact O-N 3.31Å
247	S	61.3	Low	55.5	Low	53 Å²	53	112.1 Å²	112.1	37%	0.371	60%	0.6	S	S	.	*	H	α-helix	trans	-66.2	-32.6	172.8	65.2	0	0	0	0	112.7	F243 G244 G251	F243-S247 WeakPolarHBondContact O-CB 3.44Å; F243-S247 PolarHBondContact O-N 3.19Å; F243-S247 PolarHBondContact O-OG 3.39Å; G244-S247 WeakPolarHBondContact CA-OG 3.42Å; G244-S247 PolarHBondContact O-OG 2.87Å; S247-G251 WeakPolarHBondContact O-CA 3.44Å; S247-G251 PolarHBondContact O-N 2.9Å
248	K	58.9	Low	55	Low	177 Å²	177	111.8 Å²	111.8	77%	0.77	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-36.6	172	-90.2	-179.7	169.1	177.5	0	113.7	G244 L245 L246	G244-K248 PolarHBondContact O-N 3.14Å; L245-K248 PolarHBondContact O-N 3.15Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 3.22Å
249	I	67.3	Low	54.7	Low	120 Å²	120	114.6 Å²	114.6	62%	0.615	64%	0.643	S	S	*	*	H	α-helix	trans	-79.7	-36.6	178.9	-65.3	168	0	0	0	111.3	L245 L246	L245-I249 HydrophobicContact CD2-CD1 4.49Å; L245-I249 HydrophobicContact CG-CD1 4.24Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.09Å; L246-I249 PolarHBondContact O-N 2.92Å
250	F	64.5	Low	54.7	Low	142 Å²	142	121.1 Å²	121.1	62%	0.623	67%	0.67	S	S	*	*	H	α-helix	trans	-96.2	2.3	-178.5	-76.1	-80.5	0	0	0	114.9	L246 F252	L246-F250 HydrophobicContact CD2-CD2 4.45Å; L246-F250 HydrophobicContact CD2-CE2 4.28Å; L246-F250 WeakPolarHBondContact O-CB 3.47Å; L246-F250 WeakPolarHBondContact O-CD2 3.41Å; L246-F250 PolarHBondContact O-N 3.31Å; F250-F252 HydrophobicContact CB-CD2 4.48Å; F250-F252 WeakPolarHBondContact O-CD2 2.85Å; F250-F252 PolarHBondContact O-N 3.34Å
251	G	55.1	Low	54.8	Low	63 Å²	63	123.7 Å²	123.7	65%	0.649	71%	0.712	S	S	*	*			trans	64.3	10.4	168.3	0	0	0	0	0	116.7	S247 S253	S247-G251 WeakPolarHBondContact O-CA 3.44Å; S247-G251 PolarHBondContact O-N 2.9Å; G251-S253 PolarHBondContact O-N 3.4Å; G251-S253 VanDerWaalsContact O-N 3.11Å
252	F	53.6	Low	54.8	Low	173 Å²	173	121.6 Å²	121.6	76%	0.759	72%	0.716	S	S	*	*			trans	-80.8	93.6	175.1	-82.5	-83.5	0	0	0	110.1	F250	F250-F252 HydrophobicContact CB-CD2 4.48Å; F250-F252 WeakPolarHBondContact O-CD2 2.85Å; F250-F252 PolarHBondContact O-N 3.34Å
253	S	56.8	Low	54.8	Low	106 Å²	106	120.8 Å²	120.8	74%	0.741	72%	0.723	S	S	*	*			trans	-81.4	123.5	162.4	-164.3	0	0	0	0	108.6	G251 K255	G251-S253 PolarHBondContact O-N 3.4Å; G251-S253 VanDerWaalsContact O-N 3.11Å; S253-K255 PolarHBondContact O-N 3.28Å
254	P	53.4	Low	54.9	Low	119 Å²	119	118.6 Å²	118.6	77%	0.773	72%	0.724	S	S	*	*			trans	-64.8	111.6	173.4	24.9	-30.1	0	0	0	109.1
255	K	53.9	Low	55	Low	187 Å²	187	123.7 Å²	123.7	81%	0.813	75%	0.747	S	S	*	*			trans	-63	127.9	174.3	-172.9	176.7	-178.6	177.6	0	108.8	S253 S257	S253-K255 PolarHBondContact O-N 3.28Å; K255-S257 PolarHBondContact O-N 3.34Å; K255-S257 VanDerWaalsContact O-N 3.09Å
256	P	48.7	Very low	54.9	Low	121 Å²	121	124.6 Å²	124.6	79%	0.786	76%	0.758	S	S	*	*			trans	-68.3	109.3	177.7	26	-31.6	0	0	0	109.6
257	S	47.5	Very low	54.9	Low	126 Å²	126	126.7 Å²	126.7	88%	0.881	78%	0.777	S	S	*	*			trans	-78.4	116.8	165.7	-71	0	0	0	0	108.7	K255	K255-S257 PolarHBondContact O-N 3.34Å; K255-S257 VanDerWaalsContact O-N 3.09Å
258	G	45.8	Very low	54.4	Low	72 Å²	72	132 Å²	132	74%	0.742	81%	0.806	S	S	*	*			trans	102.4	71.2	161	0	0	0	0	0	115.7
259	A	50.1	Low	54.1	Low	105 Å²	105	128.5 Å²	128.5	87%	0.868	81%	0.808	S	S	*	*			trans	-103.3	103	139.4	0	0	0	0	0	105.6
260	I	53	Low	53	Low	168 Å²	168	129.3 Å²	129.3	86%	0.862	82%	0.824	S	S	*	*			trans	-68.3	136.3	170.6	-61	171.2	0	0	0	106.5
261	A	53.3	Low	51.9	Low	169 Å²	169	128.1 Å²	128.1	100%	1.397	84%	0.843	S	S	*	*			trans	-56.2	0	-178.9	0	0	0	0	0	113.7

Retrieved 261 of 261 residues in 94.8 ms (Link to these results)

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