A0A096NUW1_PAPAN Loading...

L-2-hydroxyglutarate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NUW1, Species PAPAN (Papio anubis, Olive baboon), Gene L2HGDH, Length 463 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	27.6	Very low	26	Very low	247 Å²	247	149.4 Å²	149.4	100%	1.217	84%	0.839	S	S	*	*				0	117.7	0	-94.4	176.2	-174.5	0	0	107.6
2	V	23.2	Very low	26	Very low	137 Å²	137	148.8 Å²	148.8	83%	0.83	85%	0.85	S	S	*	*			trans	-99.7	145.1	-179.2	175.9	0	0	0	0	108.6
3	P	30.4	Very low	25.9	Very low	121 Å²	121	143.1 Å²	143.1	79%	0.786	84%	0.843	S	S	*	*			trans	-125.1	117	141.4	30.5	-16.5	0	0	0	108.8
4	A	27.6	Very low	26	Very low	82 Å²	82	150.3 Å²	150.3	68%	0.678	85%	0.849	S	S	*	*				64.2	98.3	62	0	0	0	0	0	114.3
5	L	26.7	Very low	26	Very low	154 Å²	154	147.1 Å²	147.1	81%	0.806	85%	0.849	S	S	*	*			trans	-162.4	112.2	155	-118.1	96	0	0	0	104.8	Y7	L5-Y7 HydrophobicContact CD2-CD2 4.33Å; L5-Y7 HydrophobicContact CD2-CE2 4.02Å
6	R	25.5	Very low	26.2	Very low	237 Å²	237	153.4 Å²	153.4	89%	0.894	85%	0.854	S	S	*	*				55.6	99.5	52.1	-82.5	-164.5	-179	-167.7	2.1	115.2
7	Y	26.7	Very low	26.3	Very low	201 Å²	201	149 Å²	149	79%	0.788	85%	0.851	S	S	*	*			trans	-155.2	109.4	140.3	-92	-83.2	0	0	0	106.5	L5	L5-Y7 HydrophobicContact CD2-CD2 4.33Å; L5-Y7 HydrophobicContact CD2-CE2 4.02Å
8	L	26.7	Very low	26.1	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	84%	0.843	S	S	*	*				98.8	103.9	74.1	-106.2	163.1	0	0	0	111.8
9	V	23.3	Very low	26.2	Very low	138 Å²	138	148.4 Å²	148.4	84%	0.836	85%	0.849	S	S	*	*			trans	-74.7	132.6	169.7	173.6	0	0	0	0	108.6
10	G	24.1	Very low	26.2	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	85%	0.849	S	S	*	*			trans	-129.9	110.6	167.4	0	0	0	0	0	109.7
11	A	24.1	Very low	26.2	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	85%	0.847	S	S	*	*			trans	-104.8	134.4	172.2	0	0	0	0	0	109.3
12	C	25.6	Very low	26	Very low	143 Å²	143	134.4 Å²	134.4	97%	0.966	82%	0.823	S	S	*	*				-179.8	146.2	127.8	-140.1	0	0	0	0	111.4
13	G	25.4	Very low	26.2	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	83%	0.829	S	S	*	*			trans	142.9	62.5	161.6	0	0	0	0	0	116.1
14	R	26.6	Very low	26.1	Very low	244 Å²	244	140.7 Å²	140.7	92%	0.921	84%	0.835	S	S	*	*			trans	-69.7	131	162.2	-100.5	179.5	171.8	178.3	-1.1	109.7
15	A	26.8	Very low	26	Very low	103 Å²	103	140.3 Å²	140.3	85%	0.851	84%	0.839	S	S	*	*			trans	-131	123.7	155.4	0	0	0	0	0	109.1
16	R	29.3	Very low	26.1	Very low	248 Å²	248	138 Å²	138	94%	0.936	84%	0.842	S	S	*	*			trans	-82.6	140.3	169.5	-77.2	178	169.3	-178.1	-3.5	108.6
17	G	26.8	Very low	26.2	Very low	78 Å²	78	133.3 Å²	133.3	80%	0.804	84%	0.844	S	S	*	*			trans	-175	99.4	165.4	0	0	0	0	0	109.4
18	G	24	Very low	26.2	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	84%	0.843	S	S	*	*			trans	-81	148.4	173.6	0	0	0	0	0	111
19	F	26.6	Very low	26.3	Very low	218 Å²	218	125.9 Å²	125.9	96%	0.956	85%	0.846	S	S	*	*			trans	-150	128.4	150.6	-104.8	-81.9	0	0	0	108.8
20	A	27.1	Very low	26.6	Very low	102 Å²	102	124.3 Å²	124.3	84%	0.843	85%	0.847	S	S	*	*			trans	-84.4	150.1	169.4	0	0	0	0	0	109.7
21	G	26.3	Very low	27.1	Very low	79 Å²	79	126.5 Å²	126.5	81%	0.814	85%	0.85	S	S	*	*			trans	163.3	94.7	170.3	0	0	0	0	0	111.3
22	G	24.2	Very low	27.3	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	85%	0.846	S	S	*	*			trans	-74.1	154.5	171.1	0	0	0	0	0	111.9
23	F	27.2	Very low	27.4	Very low	214 Å²	214	130 Å²	130	94%	0.939	84%	0.844	S	S	*	*			trans	-151	125.2	154.3	-110.2	-83.4	0	0	0	109.8
24	L	26.9	Very low	27.7	Very low	175 Å²	175	132.6 Å²	132.6	92%	0.916	85%	0.847	S	S	*	*			trans	-67	146.1	160.1	-79	133.6	0	0	0	109.4
25	G	26.9	Very low	27.8	Very low	74 Å²	74	132 Å²	132	76%	0.763	85%	0.845	S	S	*	*			trans	167.7	86.7	166.6	0	0	0	0	0	117
26	A	27.7	Very low	27.9	Very low	106 Å²	106	132.9 Å²	132.9	88%	0.876	84%	0.842	S	S	*	*			trans	54.6	134.9	134.6	0	0	0	0	0	123.1
27	C	27.6	Very low	28.1	Very low	138 Å²	138	129.4 Å²	129.4	93%	0.932	84%	0.841	S	S	*	*			trans	-41.8	140.9	163.6	-66.2	0	0	0	0	115.5
28	G	26.1	Very low	28.5	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	85%	0.847	S	S	*	*			trans	-148.3	113.1	160.1	0	0	0	0	0	110.5	A30	G28-A30 PolarHBondContact O-N 2.83Å
29	S	29.3	Very low	28.7	Very low	124 Å²	124	132 Å²	132	87%	0.867	85%	0.845	S	S	*	*			trans	-69.3	119	173.5	51.8	0	0	0	0	110.9
30	A	29.8	Very low	29	Very low	104 Å²	104	126 Å²	126	86%	0.86	85%	0.845	S	S	*	*			trans	-106.9	94.3	173.1	0	0	0	0	0	110.5	G28 G32	G28-A30 PolarHBondContact O-N 2.83Å; A30-G32 PolarHBondContact O-N 2.72Å
31	S	34.4	Very low	29	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	84%	0.84	S	S	*	*			trans	-81.1	88.6	163.7	44.5	0	0	0	0	109.4
32	G	27.9	Very low	29.7	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	84%	0.844	S	S	*	*			trans	-114.2	109.6	173.7	0	0	0	0	0	111.2	A30	A30-G32 PolarHBondContact O-N 2.72Å
33	R	29.2	Very low	30.2	Very low	243 Å²	243	134.6 Å²	134.6	92%	0.917	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.9	166.6	-72.6	-179.6	176.5	-175.8	-1.3	109	R35	R33-R35 PolarHBondContact O-N 3.07Å
34	P	31.3	Very low	31.1	Very low	128 Å²	128	127.4 Å²	127.4	83%	0.831	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.2	173.8	10.1	1	0	0	0	109.8
35	R	27.8	Very low	32.4	Very low	232 Å²	232	122.4 Å²	122.4	88%	0.875	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.3	140.3	163.6	-75	-177.1	175	-167.1	-1.4	108.5	R33 L37	R33-R35 PolarHBondContact O-N 3.07Å; R35-L37 PolarHBondContact O-N 3.49Å
36	P	30.2	Very low	34.4	Very low	122 Å²	122	123.3 Å²	123.3	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.2	120.8	175.8	22.1	-16.1	0	0	0	109	C38	P36-C38 PolarHBondContact O-N 3.22Å
37	L	32.8	Very low	37	Very low	174 Å²	174	121.1 Å²	121.1	91%	0.911	78%	0.779	S	S	*	*			trans	-74.9	112.3	167.5	-78.5	161.7	0	0	0	108	R35 G39	R35-L37 PolarHBondContact O-N 3.49Å; L37-G39 PolarHBondContact O-N 3.46Å
38	C	34.6	Very low	40.1	Very low	137 Å²	137	115.6 Å²	115.6	93%	0.926	74%	0.742	S	S	*	*			trans	-66.9	111.9	164.9	-67.5	0	0	0	0	109.1	P36	P36-C38 PolarHBondContact O-N 3.22Å
39	G	29.3	Very low	43.5	Very low	66 Å²	66	112.2 Å²	112.2	68%	0.68	71%	0.706	S	S	*	*			trans	-142.8	128.5	166	0	0	0	0	0	107.8	L37 G41	L37-G39 PolarHBondContact O-N 3.46Å; G39-G41 PolarHBondContact O-N 3.26Å
40	G	32	Very low	46.7	Very low	92 Å²	92	107.2 Å²	107.2	95%	0.948	67%	0.67	S	S	*	*			trans	-46.7	104.5	-163.1	0	0	0	0	0	115.2
41	G	28.4	Very low	50	Low	72 Å²	72	102.3 Å²	102.3	74%	0.742	63%	0.629	S	S	*	*			trans	-81.7	120.9	172.4	0	0	0	0	0	110.2	G39 S43	G39-G41 PolarHBondContact O-N 3.26Å; G41-S43 PolarHBondContact O-N 3.18Å
42	R	40.7	Very low	53	Low	237 Å²	237	96.2 Å²	96.2	89%	0.894	59%	0.587	S	S	*	*			trans	-56	119.2	148.3	-84.7	179.6	166.6	-176.5	-4.4	106.1	A44	R42-A44 PolarHBondContact O-N 3.05Å
43	S	34.7	Very low	56.4	Low	120 Å²	120	93.1 Å²	93.1	84%	0.839	55%	0.554	S	S	*	*			trans	-64.2	92.2	162.4	178.1	0	0	0	0	106.2	G41 S45	G41-S43 PolarHBondContact O-N 3.18Å; S43-S45 PolarHBondContact O-N 3.38Å
44	A	44.9	Very low	59.7	Low	64 Å²	64	82 Å²	82	53%	0.529	51%	0.513	S	S	.	.			trans	-59	113.8	175.7	0	0	0	0	0	107.4	R42 T46	R42-A44 PolarHBondContact O-N 3.05Å; A44-T46 PolarHBondContact O-N 3.37Å
45	S	54.6	Low	62.9	Low	69 Å²	69	76.4 Å²	76.4	48%	0.483	48%	0.479	S	S	.	.			trans	-61.7	110.7	168.1	54	0	0	0	0	106.9	S43 S47 S48	S43-S45 PolarHBondContact O-N 3.38Å; S45-S47 PolarHBondContact O-N 3.4Å; S45-S48 PolarHBondContact O-N 3.1Å
46	T	68.7	Low	66.3	Low	93 Å²	93	65.4 Å²	65.4	57%	0.571	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	4.6	179.7	54.9	0	0	0	0	113.3	A44 I250	A44-T46 PolarHBondContact O-N 3.37Å; T46-I250 WeakPolarHBondContact O-CD1 3.1Å
47	S	82.8	Confident	69.5	Low	60 Å²	60	60.5 Å²	60.5	42%	0.42	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-6.2	-178.1	56.2	0	0	0	0	114.3	S45 R251	S45-S47 PolarHBondContact O-N 3.4Å; S47-R251 PolarHBondContact O-N 3.06Å
48	S	93.7	Very high	72.7	Confident	22 Å²	22	52.5 Å²	52.5	15%	0.154	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.3	-179.1	-59.7	0	0	0	0	113.4	S45 R251	S45-S48 PolarHBondContact O-N 3.1Å; S48-R251 CarbonylContact C-O 3.49Å; S48-R251 WeakPolarHBondContact CA-O 3.01Å
49	F	96.7	Very high	75.7	Confident	5 Å²	5	47 Å²	47	2%	0.022	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153	-177.2	-60.9	-79.4	0	0	0	112.3	V52 S75 L214 Y238 I250 R251 C252 Q253	F49-V52 HydrophobicContact CB-CG2 3.89Å; F49-V52 HydrophobicContact CD2-CG2 3.88Å; F49-V52 HydrophobicContact CG-CG2 4.21Å; F49-S75 WeakPolarHBondContact CA-OG 3.1Å; F49-L214 HydrophobicContact CE2-CD1 4.18Å; F49-L214 HydrophobicContact CZ-CD1 3.94Å; F49-Y238 WeakPolarHBondContact O-CD1 3.37Å; F49-Y238 WeakPolarHBondContact O-CE1 3.48Å; F49-I250 HydrophobicContact CD2-CG2 3.73Å; F49-I250 HydrophobicContact CE2-CD1 4.49Å; F49-I250 HydrophobicContact CE2-CG2 4.02Å; F49-R251 PolarHBondContact N-O 3.37Å; F49-C252 HydrophobicContact CB-CB 4.48Å; F49-C252 WeakPolarHBondContact O-CA 3.2Å; F49-C252 WeakPolarHBondContact O-CB 3.47Å; F49-Q253 PolarHBondContact O-N 3Å
50	D	97.1	Very high	79	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-47.2	168.7	-60	-56.6	0	0	0	110.2	L74 S75 Q253 Y254	D50-L74 HydrophobicContact CB-CB 4.21Å; D50-L74 HydrophobicContact CB-CD2 4.01Å; D50-S75 WeakPolarHBondContact CA-O 3.47Å; D50-S75 WeakPolarHBondContact CB-O 3.39Å; D50-S75 VanDerWaalsContact CG-OG 3.29Å; D50-S75 PolarHBondContact N-O 2.81Å; D50-S75 PolarHBondContact N-OG 3.05Å; D50-S75 PolarHBondContact OD2-N 3.21Å; D50-S75 PolarHBondContact OD2-OG 2.97Å; D50-Q253 VanDerWaalsContact O-CB 3.28Å; D50-Q253 WeakPolarHBondContact O-CB 3.32Å; D50-Q253 PolarHBondContact O-N 3.42Å; D50-Q253 PolarHBondContact OD1-NE2 3.43Å; D50-Y254 PolarHBondContact O-N 2.9Å
51	I	98.2	Very high	82.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.9	178.3	-52.5	178	0	0	0	110.1	I53 L67 L74 S75 I76 G77 Y254 V256 V457 L463	I51-I53 HydrophobicContact CG2-CD1 4.17Å; I51-L67 HydrophobicContact CG2-CD1 4.45Å; I51-L74 HydrophobicContact CD1-CD1 3.89Å; I51-L74 HydrophobicContact CG1-CD1 4.47Å; I51-S75 PolarHBondContact N-O 2.91Å; I51-S75 VanDerWaalsContact N-O 3.13Å; I51-I76 HydrophobicContact CB-CG1 4.29Å; I51-I76 HydrophobicContact CB-CG2 4.41Å; I51-I76 HydrophobicContact CD1-CD1 4.45Å; I51-I76 VanDerWaalsContact O-CA 3.31Å; I51-I76 WeakPolarHBondContact O-CA 3.31Å; I51-G77 PolarHBondContact O-N 3.38Å; I51-Y254 WeakPolarHBondContact CA-O 3.4Å; I51-Y254 HydrophobicContact CG1-CD2 4.49Å; I51-V256 HydrophobicContact CG2-CG2 4.15Å; I51-V457 HydrophobicContact CD1-CG1 4.26Å; I51-L463 HydrophobicContact CD1-CD1 3.67Å
52	V	98.5	Very high	85.5	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130	168.2	172.9	0	0	0	0	110.7	F49 V54 G77 L79 I242 I250 C252 Y254 V255 V256	F49-V52 HydrophobicContact CB-CG2 3.89Å; F49-V52 HydrophobicContact CD2-CG2 3.88Å; F49-V52 HydrophobicContact CG-CG2 4.21Å; V52-V54 HydrophobicContact CG1-CG2 4.38Å; V52-G77 CarbonylContact C-O 3.51Å; V52-G77 WeakPolarHBondContact CA-O 3.13Å; V52-L79 HydrophobicContact CG1-CD1 3.46Å; V52-L79 VanDerWaalsContact CG1-CD1 3.46Å; V52-L79 HydrophobicContact CG1-CG 3.59Å; V52-I242 HydrophobicContact CB-CD1 3.83Å; V52-I242 HydrophobicContact CG1-CD1 3.55Å; V52-I242 HydrophobicContact CG2-CD1 4.26Å; V52-I250 HydrophobicContact CG2-CG2 4Å; V52-C252 HydrophobicContact CB-CB 4.32Å; V52-C252 HydrophobicContact CG2-CB 3.6Å; V52-Y254 PolarHBondContact N-O 3.18Å; V52-V255 CarbonylContact O-C 3.6Å; V52-V255 VanDerWaalsContact O-CA 3.3Å; V52-V255 WeakPolarHBondContact O-CA 3.44Å; V52-V256 PolarHBondContact O-N 3.46Å
53	I	98.8	Very high	88.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.7	170.2	-59.9	85.5	0	0	0	109	I51 A64 L67 I76 G77 V78 L79 V256	I51-I53 HydrophobicContact CG2-CD1 4.17Å; I53-A64 HydrophobicContact CD1-CB 3.88Å; I53-A64 HydrophobicContact CG1-CB 4.17Å; I53-L67 HydrophobicContact CD1-CD1 4.38Å; I53-I76 HydrophobicContact CD1-CG2 3.19Å; I53-G77 PolarHBondContact N-O 3.45Å; I53-V78 HydrophobicContact CB-CG2 4.21Å; I53-V78 CarbonylContact O-C 3.29Å; I53-V78 WeakPolarHBondContact O-CA 3.22Å; I53-L79 PolarHBondContact O-N 3.46Å; I53-V256 CarbonylContact C-O 3.29Å; I53-V256 WeakPolarHBondContact CA-O 3.5Å; I53-V256 HydrophobicContact CG1-CB 4.33Å
54	V	98.7	Very high	91.3	Very high	9 Å²	9	19 Å²	19	6%	0.055	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.6	175.2	-177.9	0	0	0	0	109.8	V52 V219 V255 V256 T257 C258	V52-V54 HydrophobicContact CG1-CG2 4.38Å; V54-V219 HydrophobicContact CG1-CB 4.17Å; V54-V219 HydrophobicContact CG1-CG2 3.74Å; V54-V219 HydrophobicContact CG2-CG2 4.04Å; V54-V255 HydrophobicContact CG2-CG1 3.93Å; V54-V256 PolarHBondContact N-O 3.16Å; V54-T257 HydrophobicContact CB-CG2 4.19Å; V54-T257 HydrophobicContact CG2-CG2 4.28Å; V54-C258 CarbonylContact O-C 3.54Å; V54-C258 WeakPolarHBondContact O-CA 3.32Å; V54-C258 PolarHBondContact O-N 2.99Å
55	G	98.5	Very high	93.9	Very high	12 Å²	12	18 Å²	18	12%	0.124	12%	0.116	C	C	.	.			trans	115.5	114.9	177.7	0	0	0	0	0	113.3	G57 G60 L79	G55-G57 VanDerWaalsContact C-N 3.3Å; G55-G57 PolarHBondContact O-N 2.8Å; G55-G60 WeakPolarHBondContact O-CA 3.47Å; G55-L79 PolarHBondContact N-O 3.23Å
56	G	98.4	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.098	C	C	.	.			trans	-91	30.7	177.6	0	0	0	0	0	114	L61 E80 A86	G56-L61 WeakPolarHBondContact O-CD1 3.48Å; G56-E80 WeakPolarHBondContact CA-OE2 3.45Å; G56-E80 PolarHBondContact N-OE2 2.88Å; G56-A86 PolarHBondContact O-N 3.02Å
57	G	98.3	Very high	97.4	Very high	19 Å²	19	10.8 Å²	10.8	20%	0.196	7%	0.071	C	C	.	.	S	Bend	trans	-83.7	174.4	168.6	0	0	0	0	0	112.3	G55 V59 G60 L61	G55-G57 VanDerWaalsContact C-N 3.3Å; G55-G57 PolarHBondContact O-N 2.8Å; G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 2.92Å; G57-G60 PolarHBondContact O-N 3.13Å; G57-G60 VanDerWaalsContact O-N 3.13Å; G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 WeakPolarHBondContact O-CG 3.44Å; G57-L61 PolarHBondContact O-N 2.96Å
58	I	98.5	Very high	98.2	Very high	7 Å²	7	8.1 Å²	8.1	4%	0.036	5%	0.052	C	C	.	.	H	α-helix	trans	-56.9	-36.4	-175.7	-163.3	168	0	0	0	113.8	A62 T90 Y195 V198 A199 F202 A443	I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 3.28Å; I58-T90 HydrophobicContact CB-CG2 3.69Å; I58-T90 HydrophobicContact CG2-CG2 4.23Å; I58-T90 PolarHBondContact N-OG1 2.82Å; I58-Y195 HydrophobicContact CD1-CD1 3.67Å; I58-Y195 HydrophobicContact CD1-CE1 4.46Å; I58-Y195 HydrophobicContact CD1-CG 4.41Å; I58-V198 HydrophobicContact CD1-CG1 4.16Å; I58-A199 HydrophobicContact CB-CB 4.07Å; I58-A199 HydrophobicContact CG1-CB 4.09Å; I58-F202 HydrophobicContact CD1-CE2 4.22Å; I58-F202 HydrophobicContact CG1-CD2 4.09Å; I58-F202 HydrophobicContact CG1-CE2 3.77Å; I58-A443 HydrophobicContact CD1-CB 4.39Å; I58-A443 HydrophobicContact CG2-CB 4.44Å
59	V	98.1	Very high	98.4	Very high	20 Å²	20	11.7 Å²	11.7	12%	0.121	7%	0.069	C	C	.	.	H	α-helix	trans	-68.9	-46.4	178.2	179.5	0	0	0	0	110.8	G57 S63 C258 A438 A442 I449 I453	G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 2.92Å; V59-S63 VanDerWaalsContact O-CB 3.32Å; V59-S63 WeakPolarHBondContact O-CB 3.33Å; V59-S63 PolarHBondContact O-N 3.39Å; V59-S63 PolarHBondContact O-OG 3.02Å; V59-C258 HydrophobicContact CG1-CB 4.35Å; V59-A438 HydrophobicContact CG2-CB 4.21Å; V59-A442 HydrophobicContact CG2-CB 4.21Å; V59-I449 HydrophobicContact CG1-CG2 4.17Å; V59-I453 HydrophobicContact CG1-CD1 3.86Å
60	G	98.5	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.2	-44.2	178.6	0	0	0	0	0	112.3	G55 G57 S63 A64	G55-G60 WeakPolarHBondContact O-CA 3.47Å; G57-G60 PolarHBondContact O-N 3.13Å; G57-G60 VanDerWaalsContact O-N 3.13Å; G60-S63 PolarHBondContact O-N 3.41Å; G60-A64 WeakPolarHBondContact O-CB 3.17Å; G60-A64 PolarHBondContact O-N 3.02Å
61	L	98.9	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.9	-41	178.2	-66.3	172.6	0	0	0	112.5	G56 G57 S63 A64 R65 V78 L85 A199 F202 A203	G56-L61 WeakPolarHBondContact O-CD1 3.48Å; G57-L61 WeakPolarHBondContact O-CB 3.32Å; G57-L61 WeakPolarHBondContact O-CG 3.44Å; G57-L61 PolarHBondContact O-N 2.96Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.03Å; L61-A64 PolarHBondContact O-N 3.32Å; L61-R65 VanDerWaalsContact O-CB 3.31Å; L61-R65 WeakPolarHBondContact O-CB 3.29Å; L61-R65 PolarHBondContact O-N 3.43Å; L61-V78 HydrophobicContact CD2-CG1 4.29Å; L61-L85 HydrophobicContact CD1-CB 4.27Å; L61-L85 HydrophobicContact CD1-CD1 4.19Å; L61-L85 HydrophobicContact CD2-CD1 4.22Å; L61-L85 HydrophobicContact CD2-CD2 4.32Å; L61-A199 HydrophobicContact CD1-CB 4.1Å; L61-A199 WeakPolarHBondContact CD1-O 3.27Å; L61-F202 HydrophobicContact CB-CB 4.11Å; L61-A203 HydrophobicContact CD1-CB 4.25Å; L61-A203 HydrophobicContact CD2-CB 3.94Å
62	A	98.8	Very high	98.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-37.7	173.5	0	0	0	0	0	111.6	I58 A66 F202 S450	I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 3.28Å; A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.14Å; A62-F202 HydrophobicContact CB-CD2 3.8Å; A62-F202 HydrophobicContact CB-CE2 3.83Å; A62-S450 WeakPolarHBondContact O-CB 3.43Å; A62-S450 PolarHBondContact O-OG 3.34Å
63	S	98.6	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69	-46.7	177.5	-56.2	0	0	0	0	111.9	V59 G60 L61 R65 A66 L67 I453	V59-S63 VanDerWaalsContact O-CB 3.32Å; V59-S63 WeakPolarHBondContact O-CB 3.33Å; V59-S63 PolarHBondContact O-N 3.39Å; V59-S63 PolarHBondContact O-OG 3.02Å; G60-S63 PolarHBondContact O-N 3.41Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.03Å; S63-R65 VanDerWaalsContact C-N 3.32Å; S63-R65 PolarHBondContact O-N 2.98Å; S63-A66 PolarHBondContact O-N 3.3Å; S63-L67 WeakPolarHBondContact O-CB 3.44Å; S63-L67 VanDerWaalsContact O-CG 3.3Å; S63-L67 WeakPolarHBondContact O-CG 3.46Å; S63-L67 PolarHBondContact O-N 3.35Å; S63-I453 VanDerWaalsContact OG-CD1 3.25Å; S63-I453 WeakPolarHBondContact OG-CD1 3.23Å
64	A	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-45.7	175.5	0	0	0	0	0	111.4	I53 G60 L61 L67 I68 V78 F206	I53-A64 HydrophobicContact CD1-CB 3.88Å; I53-A64 HydrophobicContact CG1-CB 4.17Å; G60-A64 WeakPolarHBondContact O-CB 3.17Å; G60-A64 PolarHBondContact O-N 3.02Å; L61-A64 PolarHBondContact O-N 3.32Å; A64-L67 PolarHBondContact O-N 3.23Å; A64-I68 PolarHBondContact O-N 2.74Å; A64-V78 HydrophobicContact CB-CG2 3.51Å; A64-F206 HydrophobicContact CB-CD1 4.48Å; A64-F206 HydrophobicContact CB-CD2 3.77Å; A64-F206 HydrophobicContact CB-CE1 4.47Å; A64-F206 HydrophobicContact CB-CE2 3.79Å; A64-F206 HydrophobicContact CB-CG 4.13Å; A64-F206 HydrophobicContact CB-CZ 4.14Å; A64-F206 WeakPolarHBondContact O-CD2 3.41Å
65	R	98.7	Very high	98.1	Very high	41 Å²	41	29.2 Å²	29.2	16%	0.155	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-47.6	173.5	179.6	-175.6	177.2	-79.5	-6.1	112.2	L61 S63 L67 I68 L69 D205 F206	L61-R65 VanDerWaalsContact O-CB 3.31Å; L61-R65 WeakPolarHBondContact O-CB 3.29Å; L61-R65 PolarHBondContact O-N 3.43Å; S63-R65 VanDerWaalsContact C-N 3.32Å; S63-R65 PolarHBondContact O-N 2.98Å; R65-L67 PolarHBondContact O-N 2.9Å; R65-I68 WeakPolarHBondContact O-CG2 3.21Å; R65-L69 HydrophobicContact CG-CD1 3.91Å; R65-L69 WeakPolarHBondContact O-CB 3.32Å; R65-L69 WeakPolarHBondContact O-CD1 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.74Å; R65-D205 HydrophobicContact CG-CB 3.99Å; R65-D205 IonicContact CZ-OD2 3.23Å; R65-D205 IonicContact NE-OD2 3.66Å; R65-D205 PolarHBondContact NE-OD2 3.4Å; R65-D205 IonicContact NH2-OD2 3.12Å; R65-D205 PolarHBondContact NH2-OD2 2.92Å; R65-F206 HydrophobicContact CB-CB 4.39Å
66	A	98.6	Very high	98.1	Very high	12 Å²	12	28.8 Å²	28.8	10%	0.099	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-43.3	179.9	0	0	0	0	0	111.9	A62 S63 R70 A454	A62-A66 WeakPolarHBondContact O-CB 3.39Å; A62-A66 PolarHBondContact O-N 3.14Å; S63-A66 PolarHBondContact O-N 3.3Å; A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 3.13Å; A66-A454 HydrophobicContact CB-CB 4.2Å
67	L	98.6	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-47.6	-179.6	-71.7	170	0	0	0	112.3	I51 I53 S63 A64 R65 L69 R70 H71 I76 A454 V457	I51-L67 HydrophobicContact CG2-CD1 4.45Å; I53-L67 HydrophobicContact CD1-CD1 4.38Å; S63-L67 WeakPolarHBondContact O-CB 3.44Å; S63-L67 VanDerWaalsContact O-CG 3.3Å; S63-L67 WeakPolarHBondContact O-CG 3.46Å; S63-L67 PolarHBondContact O-N 3.35Å; A64-L67 PolarHBondContact O-N 3.23Å; R65-L67 PolarHBondContact O-N 2.9Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 2.79Å; L67-R70 PolarHBondContact O-N 3.11Å; L67-H71 PolarHBondContact O-N 3.25Å; L67-I76 HydrophobicContact CB-CD1 3.79Å; L67-A454 HydrophobicContact CD2-CB 3.89Å; L67-A454 HydrophobicContact CG-CB 4.38Å; L67-V457 HydrophobicContact CD1-CG1 4.42Å; L67-V457 HydrophobicContact CD2-CB 3.88Å; L67-V457 HydrophobicContact CD2-CG1 3.49Å; L67-V457 VanDerWaalsContact CD2-CG1 3.49Å; L67-V457 HydrophobicContact CD2-CG2 4.36Å
68	I	98.5	Very high	98.1	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-32.4	-177.6	-158.5	164.3	0	0	0	112.4	A64 R65 R70 H71 P72 I76 F206 A209 G211	A64-I68 PolarHBondContact O-N 2.74Å; R65-I68 WeakPolarHBondContact O-CG2 3.21Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-H71 CarbonylContact O-C 3.55Å; I68-P72 WeakPolarHBondContact O-CA 3.28Å; I68-I76 HydrophobicContact CB-CD1 4.02Å; I68-I76 HydrophobicContact CG1-CD1 4.4Å; I68-F206 HydrophobicContact CB-CD2 3.98Å; I68-F206 HydrophobicContact CB-CE2 4.11Å; I68-F206 HydrophobicContact CD1-CD2 4.01Å; I68-F206 HydrophobicContact CD1-CE2 3.84Å; I68-F206 HydrophobicContact CG2-CD2 3.64Å; I68-F206 HydrophobicContact CG2-CE2 4.29Å; I68-A209 HydrophobicContact CD1-CB 4.06Å; I68-A209 WeakPolarHBondContact CD1-O 3.18Å; I68-A209 HydrophobicContact CG1-CB 4.08Å; I68-A209 HydrophobicContact CG2-CB 3.66Å; I68-G211 VanDerWaalsContact CD1-CA 3.44Å
69	L	97.9	Very high	98.1	Very high	96 Å²	96	27.6 Å²	27.6	50%	0.503	16%	0.155	S	C	.	.	H	α-helix	trans	-71.7	-29.7	176.8	-69.1	174.9	0	0	0	112.4	R65 L67 A209	R65-L69 HydrophobicContact CG-CD1 3.91Å; R65-L69 WeakPolarHBondContact O-CB 3.32Å; R65-L69 WeakPolarHBondContact O-CD1 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.74Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 2.79Å; L69-A209 HydrophobicContact CD2-CB 4.44Å
70	R	97.9	Very high	98.1	Very high	102 Å²	102	27.3 Å²	27.3	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-83.7	-33.8	176.3	-71	178.2	-179.8	-160.5	2.8	112.8	A66 L67 I68 P72 G451 D455	A66-R70 WeakPolarHBondContact O-CG 3.37Å; A66-R70 PolarHBondContact O-N 3.13Å; L67-R70 PolarHBondContact O-N 3.11Å; I68-R70 VanDerWaalsContact C-N 3.34Å; R70-P72 VanDerWaalsContact C-CD 3.46Å; R70-P72 WeakPolarHBondContact O-CD 3.46Å; R70-G451 PolarHBondContact NH2-O 2.93Å; R70-D455 IonicContact CZ-OD1 3.06Å; R70-D455 VanDerWaalsContact CZ-OD1 3.28Å; R70-D455 IonicContact NH1-OD1 3.12Å; R70-D455 PolarHBondContact NH1-OD1 2.98Å; R70-D455 IonicContact NH2-OD1 2.73Å; R70-D455 PolarHBondContact NH2-OD1 2.99Å
71	H	97.6	Very high	98.1	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.088	16%	0.162	C	C	.	.			trans	-125.2	68.9	-177	-55.8	-88.3	0	0	0	110.8	L67 I68 S73 L74	L67-H71 PolarHBondContact O-N 3.25Å; I68-H71 CarbonylContact O-C 3.55Å; H71-S73 PolarHBondContact O-N 3.04Å; H71-L74 HydrophobicContact CB-CB 4.24Å; H71-L74 HydrophobicContact CB-CD1 3.5Å; H71-L74 HydrophobicContact CB-CG 3.75Å; H71-L74 PolarHBondContact O-N 3.45Å
72	P	96.6	Very high	98.1	Very high	103 Å²	103	32.7 Å²	32.7	67%	0.669	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.9	-173.8	27.3	-36.6	0	0	0	114.1	I68 R70	I68-P72 WeakPolarHBondContact O-CA 3.28Å; R70-P72 VanDerWaalsContact C-CD 3.46Å; R70-P72 WeakPolarHBondContact O-CD 3.46Å
73	S	96.1	Very high	98.1	Very high	100 Å²	100	39.5 Å²	39.5	70%	0.699	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17	175.2	55.4	0	0	0	0	113.9	H71	H71-S73 PolarHBondContact O-N 3.04Å
74	L	96.4	Very high	98.1	Very high	37 Å²	37	43.4 Å²	43.4	19%	0.194	23%	0.226	C	C	.	.	S	Bend	trans	-82.4	139.6	-178.3	-63.2	-177.7	0	0	0	110.9	D50 I51 H71 I76 L463	D50-L74 HydrophobicContact CB-CB 4.21Å; D50-L74 HydrophobicContact CB-CD2 4.01Å; I51-L74 HydrophobicContact CD1-CD1 3.89Å; I51-L74 HydrophobicContact CG1-CD1 4.47Å; H71-L74 HydrophobicContact CB-CB 4.24Å; H71-L74 HydrophobicContact CB-CD1 3.5Å; H71-L74 HydrophobicContact CB-CG 3.75Å; H71-L74 PolarHBondContact O-N 3.45Å; L74-I76 HydrophobicContact CB-CD1 4.41Å; L74-I76 HydrophobicContact CB-CG1 4.14Å; L74-L463 HydrophobicContact CD1-CD1 4.04Å; L74-L463 HydrophobicContact CD1-CD2 4.16Å
75	S	97.3	Very high	98.1	Very high	41 Å²	41	44.2 Å²	44.2	29%	0.287	23%	0.231	S	C	.	.			trans	-80.5	119.2	168.1	58.7	0	0	0	0	109.6	F49 D50 I51	F49-S75 WeakPolarHBondContact CA-OG 3.1Å; D50-S75 WeakPolarHBondContact CA-O 3.47Å; D50-S75 WeakPolarHBondContact CB-O 3.39Å; D50-S75 VanDerWaalsContact CG-OG 3.29Å; D50-S75 PolarHBondContact N-O 2.81Å; D50-S75 PolarHBondContact N-OG 3.05Å; D50-S75 PolarHBondContact OD2-N 3.21Å; D50-S75 PolarHBondContact OD2-OG 2.97Å; I51-S75 PolarHBondContact N-O 2.91Å; I51-S75 VanDerWaalsContact N-O 3.13Å
76	I	98.6	Very high	98	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.4	-175.1	-54.3	-173.6	0	0	0	110.2	I51 I53 L67 I68 L74 F206 S212	I51-I76 HydrophobicContact CB-CG1 4.29Å; I51-I76 HydrophobicContact CB-CG2 4.41Å; I51-I76 HydrophobicContact CD1-CD1 4.45Å; I51-I76 VanDerWaalsContact O-CA 3.31Å; I51-I76 WeakPolarHBondContact O-CA 3.31Å; I53-I76 HydrophobicContact CD1-CG2 3.19Å; L67-I76 HydrophobicContact CB-CD1 3.79Å; I68-I76 HydrophobicContact CB-CD1 4.02Å; I68-I76 HydrophobicContact CG1-CD1 4.4Å; L74-I76 HydrophobicContact CB-CD1 4.41Å; L74-I76 HydrophobicContact CB-CG1 4.14Å; I76-F206 HydrophobicContact CB-CE2 3.9Å; I76-F206 HydrophobicContact CB-CZ 4.17Å; I76-F206 HydrophobicContact CG2-CE2 3.68Å; I76-F206 HydrophobicContact CG2-CZ 3.88Å; I76-F206 WeakPolarHBondContact O-CZ 3.37Å; I76-S212 PolarHBondContact O-N 2.9Å
77	G	98.4	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145	177.1	0	0	0	0	0	112.5	I51 V52 I53 S212	I51-G77 PolarHBondContact O-N 3.38Å; V52-G77 CarbonylContact C-O 3.51Å; V52-G77 WeakPolarHBondContact CA-O 3.13Å; I53-G77 PolarHBondContact N-O 3.45Å; G77-S212 CarbonylContact C-O 3.17Å; G77-S212 VanDerWaalsContact CA-O 3.31Å; G77-S212 WeakPolarHBondContact CA-O 3.32Å
78	V	98.8	Very high	97.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.2	167.9	176.6	0	0	0	0	108.7	I53 L61 A64 F206 S212 V213 L214	I53-V78 HydrophobicContact CB-CG2 4.21Å; I53-V78 CarbonylContact O-C 3.29Å; I53-V78 WeakPolarHBondContact O-CA 3.22Å; L61-V78 HydrophobicContact CD2-CG1 4.29Å; A64-V78 HydrophobicContact CB-CG2 3.51Å; V78-F206 HydrophobicContact CB-CE1 4.4Å; V78-F206 HydrophobicContact CG2-CD1 4.25Å; V78-F206 HydrophobicContact CG2-CE1 3.62Å; V78-F206 HydrophobicContact CG2-CZ 3.89Å; V78-S212 PolarHBondContact N-O 3.45Å; V78-V213 HydrophobicContact CB-CG2 4.33Å; V78-L214 PolarHBondContact O-N 3.17Å
79	L	98.8	Very high	97.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.4	174.4	-53.8	179.4	0	0	0	109.5	V52 I53 G55 L214 F217 V219 I242 I250	V52-L79 HydrophobicContact CG1-CD1 3.46Å; V52-L79 VanDerWaalsContact CG1-CD1 3.46Å; V52-L79 HydrophobicContact CG1-CG 3.59Å; I53-L79 PolarHBondContact O-N 3.46Å; G55-L79 PolarHBondContact N-O 3.23Å; L79-L214 HydrophobicContact CD2-CB 3.89Å; L79-L214 HydrophobicContact CD2-CD1 4.28Å; L79-L214 HydrophobicContact CD2-CD2 4.25Å; L79-L214 HydrophobicContact CD2-CG 4.37Å; L79-F217 HydrophobicContact CB-CB 4.49Å; L79-F217 HydrophobicContact CB-CD1 3.98Å; L79-F217 HydrophobicContact CB-CG 4.48Å; L79-F217 HydrophobicContact CD1-CD1 3.67Å; L79-F217 HydrophobicContact CD1-CE1 3.58Å; L79-F217 HydrophobicContact CD1-CZ 4.4Å; L79-F217 HydrophobicContact CD2-CD1 3.99Å; L79-F217 HydrophobicContact CD2-CE1 4.37Å; L79-F217 HydrophobicContact CD2-CG 4.07Å; L79-F217 HydrophobicContact CG-CD1 4.08Å; L79-F217 HydrophobicContact CG-CE1 4.43Å; L79-V219 HydrophobicContact CB-CG2 4.33Å; L79-V219 HydrophobicContact CD1-CG2 3.89Å; L79-I242 HydrophobicContact CD1-CB 4.47Å; L79-I242 HydrophobicContact CD1-CD1 4.05Å; L79-I242 HydrophobicContact CD1-CG2 3.88Å; L79-I250 HydrophobicContact CD2-CG1 4.28Å
80	E	98.7	Very high	97.6	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.061	23%	0.23	C	C	.	.			trans	-123.2	131.5	176.3	173.1	52.7	-114.5	0	0	109.6	G56 E82 L85 L214 T215 N216 F217	G56-E80 WeakPolarHBondContact CA-OE2 3.45Å; G56-E80 PolarHBondContact N-OE2 2.88Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 HydrophobicContact CG-CB 4.17Å; E80-E82 WeakPolarHBondContact OE1-CB 3.35Å; E80-E82 WeakPolarHBondContact OE1-CG 3.35Å; E80-E82 PolarHBondContact OE1-N 2.97Å; E80-L85 HydrophobicContact CB-CD2 3.97Å; E80-L85 HydrophobicContact CG-CD2 4.06Å; E80-L214 PolarHBondContact N-O 2.9Å; E80-T215 HydrophobicContact CB-CG2 4.39Å; E80-T215 CarbonylContact O-C 3.55Å; E80-T215 VanDerWaalsContact O-C 3.29Å; E80-T215 VanDerWaalsContact O-CA 3.31Å; E80-T215 WeakPolarHBondContact O-CA 3.48Å; E80-N216 PolarHBondContact O-N 3.48Å; E80-F217 CarbonylContact C-O 3.58Å; E80-F217 PolarHBondContact O-N 3.4Å
81	K	98.4	Very high	97.5	Very high	51 Å²	51	40.4 Å²	40.4	22%	0.222	23%	0.226	C	C	.	.	S	Bend	trans	-71.8	-33.9	-178.8	74.7	175.9	-169.2	150.4	0	111.8	H88 N216 E218 E336	K81-H88 WeakPolarHBondContact CE-NE2 3.43Å; K81-N216 VanDerWaalsContact O-CA 3.31Å; K81-N216 WeakPolarHBondContact O-CA 3.32Å; K81-E218 HydrophobicContact CB-CB 3.72Å; K81-E218 HydrophobicContact CB-CG 3.96Å; K81-E218 HydrophobicContact CD-CG 4.46Å; K81-E336 WeakPolarHBondContact CE-OE1 3.37Å; K81-E336 IonicContact NZ-OE1 3.52Å; K81-E336 PolarHBondContact NZ-OE1 3.13Å; K81-E336 IonicContact NZ-OE2 3.25Å; K81-E336 PolarHBondContact NZ-OE2 2.78Å
82	E	98.3	Very high	97.3	Very high	63 Å²	63	42.7 Å²	42.7	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-79.2	161.6	-177.5	-64.7	-66	157.2	0	0	111.1	E80 D84 V87 H88 T215 N216	E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 HydrophobicContact CG-CB 4.17Å; E80-E82 WeakPolarHBondContact OE1-CB 3.35Å; E80-E82 WeakPolarHBondContact OE1-CG 3.35Å; E80-E82 PolarHBondContact OE1-N 2.97Å; E82-D84 VanDerWaalsContact C-N 3.26Å; E82-D84 WeakPolarHBondContact CB-O 3.39Å; E82-D84 PolarHBondContact O-N 2.73Å; E82-V87 HydrophobicContact CB-CG2 3.65Å; E82-V87 HydrophobicContact CG-CG2 3.4Å; E82-V87 VanDerWaalsContact CG-CG2 3.4Å; E82-H88 VanDerWaalsContact CG-NE2 3.27Å; E82-H88 WeakPolarHBondContact CG-NE2 3.42Å; E82-H88 IonicContact OE1-CE1 2.65Å; E82-H88 PolarHBondContact OE1-CE1 2.84Å; E82-H88 VanDerWaalsContact OE1-CE1 3.27Å; E82-H88 IonicContact OE1-NE2 2.64Å; E82-H88 PolarHBondContact OE1-NE2 2.76Å; E82-T215 VanDerWaalsContact O-CB 3.25Å; E82-T215 WeakPolarHBondContact O-CB 3.45Å; E82-N216 PolarHBondContact O-N 2.75Å
83	K	98.3	Very high	97.2	Very high	143 Å²	143	39.1 Å²	39.1	62%	0.622	21%	0.212	S	C	*	.	S	Bend	trans	-65.6	-34.9	173.3	179.4	-175.5	172.3	-172.3	0	111.7	T215	K83-T215 WeakPolarHBondContact O-CB 3.42Å; K83-T215 WeakPolarHBondContact O-CG2 3.44Å; K83-T215 PolarHBondContact O-OG1 3.17Å
84	D	98.4	Very high	96.9	Very high	82 Å²	82	35 Å²	35	44%	0.439	18%	0.183	S	C	.	.	S	Bend	trans	-119.7	146	-175.1	-62.1	-67	0	0	0	110.4	E82 V87	E82-D84 VanDerWaalsContact C-N 3.26Å; E82-D84 WeakPolarHBondContact CB-O 3.39Å; E82-D84 PolarHBondContact O-N 2.73Å; D84-V87 HydrophobicContact CB-CG1 3.69Å; D84-V87 WeakPolarHBondContact O-CG1 3.41Å
85	L	98.7	Very high	96.9	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.089	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	156.9	177.6	-64	173.7	0	0	0	112	L61 E80 V87 R196 L200 A203 V213	L61-L85 HydrophobicContact CD1-CB 4.27Å; L61-L85 HydrophobicContact CD1-CD1 4.19Å; L61-L85 HydrophobicContact CD2-CD1 4.22Å; L61-L85 HydrophobicContact CD2-CD2 4.32Å; E80-L85 HydrophobicContact CB-CD2 3.97Å; E80-L85 HydrophobicContact CG-CD2 4.06Å; L85-V87 PolarHBondContact O-N 3.07Å; L85-V87 VanDerWaalsContact O-N 3.13Å; L85-R196 PolarHBondContact O-NH1 2.98Å; L85-R196 PolarHBondContact O-NH2 2.83Å; L85-L200 HydrophobicContact CB-CD2 3.9Å; L85-L200 HydrophobicContact CD1-CD2 4.31Å; L85-A203 HydrophobicContact CD1-CB 3.51Å; L85-V213 HydrophobicContact CD1-CG1 4.23Å; L85-V213 HydrophobicContact CD2-CG1 3.84Å; L85-V213 HydrophobicContact CG-CG1 4.4Å
86	A	97.9	Very high	96.8	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	31	169	0	0	0	0	0	115.3	G56 T90 G91 R196 A199	G56-A86 PolarHBondContact O-N 3.02Å; A86-T90 HydrophobicContact CB-CG2 3.61Å; A86-G91 WeakPolarHBondContact O-CA 3.41Å; A86-G91 PolarHBondContact O-N 2.95Å; A86-G91 VanDerWaalsContact O-N 3.1Å; A86-R196 HydrophobicContact CB-CG 4.28Å; A86-R196 PolarHBondContact O-NH1 3Å; A86-A199 HydrophobicContact CB-CB 3.78Å
87	V	97.1	Very high	96.8	Very high	34 Å²	34	31.4 Å²	31.4	21%	0.206	16%	0.161	C	C	.	.			trans	-84.8	-15.1	-176.6	-64.5	0	0	0	0	114.8	E82 D84 L85 H92 R196	E82-V87 HydrophobicContact CB-CG2 3.65Å; E82-V87 HydrophobicContact CG-CG2 3.4Å; E82-V87 VanDerWaalsContact CG-CG2 3.4Å; D84-V87 HydrophobicContact CB-CG1 3.69Å; D84-V87 WeakPolarHBondContact O-CG1 3.41Å; L85-V87 PolarHBondContact O-N 3.07Å; L85-V87 VanDerWaalsContact O-N 3.13Å; V87-H92 PolarHBondContact O-CD2 3.16Å; V87-H92 PolarHBondContact O-NE2 2.89Å; V87-R196 VanDerWaalsContact CG1-NH1 3.26Å
88	H	96.1	Very high	96.7	Very high	36 Å²	36	32.7 Å²	32.7	17%	0.167	17%	0.167	C	C	.	.	S	Bend	trans	-95.5	-126.4	-179.8	-61	-49.7	0	0	0	111.9	K81 E82 T90 G91 H92 E336 Y338	K81-H88 WeakPolarHBondContact CE-NE2 3.43Å; E82-H88 VanDerWaalsContact CG-NE2 3.27Å; E82-H88 WeakPolarHBondContact CG-NE2 3.42Å; E82-H88 IonicContact OE1-CE1 2.65Å; E82-H88 PolarHBondContact OE1-CE1 2.84Å; E82-H88 VanDerWaalsContact OE1-CE1 3.27Å; E82-H88 IonicContact OE1-NE2 2.64Å; E82-H88 PolarHBondContact OE1-NE2 2.76Å; H88-T90 PolarHBondContact O-N 2.9Å; H88-G91 PolarHBondContact O-N 3.2Å; H88-H92 WeakPolarHBondContact O-CB 3.09Å; H88-H92 PolarHBondContact O-CD2 3.21Å; H88-H92 VanDerWaalsContact O-CD2 3.31Å; H88-H92 PolarHBondContact O-N 3.19Å; H88-E336 IonicContact CD2-OE1 3.34Å; H88-E336 VanDerWaalsContact CE1-CD 3.49Å; H88-E336 IonicContact CE1-OE1 3.73Å; H88-E336 PolarHBondContact CE1-OE1 2.78Å; H88-E336 IonicContact CE1-OE2 2.75Å; H88-E336 IonicContact CG-OE1 3.03Å; H88-E336 IonicContact ND1-OE1 3.34Å; H88-E336 IonicContact NE2-OE1 2.99Å; H88-E336 PolarHBondContact NE2-OE1 3.01Å; H88-E336 VanDerWaalsContact NE2-OE1 3.12Å; H88-Y338 VanDerWaalsContact CA-OH 3.28Å; H88-Y338 WeakPolarHBondContact CA-OH 3.4Å; H88-Y338 VanDerWaalsContact CB-OH 3.25Å; H88-Y338 WeakPolarHBondContact CB-OH 3.4Å; H88-Y338 AromaticContact ND1-CE2 3.98Å; H88-Y338 PolarHBondContact ND1-OH 3.18Å
89	Q	95.3	Very high	96.4	Very high	61 Å²	61	33.3 Å²	33.3	29%	0.285	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.9	-175.1	-55.3	-178.9	-97.5	0	0	114	H92 N93 L261 V404 A406	Q89-H92 CarbonylContact O-C 3.46Å; Q89-N93 PolarHBondContact O-ND2 3.12Å; Q89-L261 HydrophobicContact CG-CD1 3.93Å; Q89-L261 HydrophobicContact CG-CG 4.04Å; Q89-V404 WeakPolarHBondContact CG-O 3.4Å; Q89-A406 VanDerWaalsContact NE2-N 3.17Å
90	T	96.9	Very high	96.1	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.086	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.1	176.1	-58.1	0	0	0	0	113.3	I58 A86 H88 N93 A199	I58-T90 HydrophobicContact CB-CG2 3.69Å; I58-T90 HydrophobicContact CG2-CG2 4.23Å; I58-T90 PolarHBondContact N-OG1 2.82Å; A86-T90 HydrophobicContact CB-CG2 3.61Å; H88-T90 PolarHBondContact O-N 2.9Å; T90-N93 VanDerWaalsContact C-ND2 3.29Å; T90-N93 PolarHBondContact O-ND2 3.43Å; T90-A199 HydrophobicContact CG2-CB 3.75Å
91	G	95.2	Very high	95.9	Very high	29 Å²	29	32.7 Å²	32.7	30%	0.299	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-25	173.8	0	0	0	0	0	112.9	A86 H88	A86-G91 WeakPolarHBondContact O-CA 3.41Å; A86-G91 PolarHBondContact O-N 2.95Å; A86-G91 VanDerWaalsContact O-N 3.1Å; H88-G91 PolarHBondContact O-N 3.2Å
92	H	94.3	Very high	95.5	Very high	66 Å²	66	32.3 Å²	32.3	31%	0.306	17%	0.166	S	C	.	.	S	Bend	trans	-108.9	61.4	-173.8	-68.9	-106.2	0	0	0	112.8	V87 H88 Q89 Y338 A402	V87-H92 PolarHBondContact O-CD2 3.16Å; V87-H92 PolarHBondContact O-NE2 2.89Å; H88-H92 WeakPolarHBondContact O-CB 3.09Å; H88-H92 PolarHBondContact O-CD2 3.21Å; H88-H92 VanDerWaalsContact O-CD2 3.31Å; H88-H92 PolarHBondContact O-N 3.19Å; Q89-H92 CarbonylContact O-C 3.46Å; H92-Y338 HydrophobicContact CB-CD1 4.42Å; H92-Y338 HydrophobicContact CB-CE1 3.9Å; H92-Y338 AromaticContact CE1-CD1 3.92Å; H92-Y338 AromaticContact CG-CD1 3.96Å; H92-Y338 AromaticContact CG-CE1 3.66Å; H92-Y338 AromaticContact ND1-CD1 3.55Å; H92-Y338 AromaticContact ND1-CE1 3.76Å; H92-A402 PolarHBondContact ND1-O 3.37Å
93	N	92.5	Very high	95.2	Very high	29 Å²	29	30.7 Å²	30.7	16%	0.155	16%	0.157	C	C	.	.	S	Bend	trans	-137.9	177.1	174	62.5	69.5	0	0	0	110.9	Q89 T90 G95 Y195 R318	Q89-N93 PolarHBondContact O-ND2 3.12Å; T90-N93 VanDerWaalsContact C-ND2 3.29Å; T90-N93 PolarHBondContact O-ND2 3.43Å; N93-G95 VanDerWaalsContact C-N 3.28Å; N93-G95 PolarHBondContact O-N 3.38Å; N93-G95 WeakPolarHBondContact OD1-CA 3.33Å; N93-G95 PolarHBondContact OD1-N 3.35Å; N93-Y195 VanDerWaalsContact OD1-CD2 3.27Å; N93-Y195 WeakPolarHBondContact OD1-CD2 3.41Å; N93-R318 PolarHBondContact O-NH1 3.37Å
94	S	91.3	Very high	94.8	Very high	14 Å²	14	30.7 Å²	30.7	10%	0.098	16%	0.157	C	C	.	.			trans	-74.7	-10.1	-175.3	58.6	0	0	0	0	114.6	V96 T316 R318	S94-V96 PolarHBondContact O-N 3.24Å; S94-T316 WeakPolarHBondContact O-CG2 3.43Å; S94-R318 VanDerWaalsContact CA-NH1 3.34Å; S94-R318 PolarHBondContact O-NH1 3.02Å
95	G	95.3	Very high	94.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.146	C	C	.	.			trans	76.9	1.2	-176.5	0	0	0	0	0	114.5	N93 I192 V193	N93-G95 VanDerWaalsContact C-N 3.28Å; N93-G95 PolarHBondContact O-N 3.38Å; N93-G95 WeakPolarHBondContact OD1-CA 3.33Å; N93-G95 PolarHBondContact OD1-N 3.35Å; G95-I192 CarbonylContact O-C 3.51Å; G95-I192 VanDerWaalsContact O-CA 3.23Å; G95-I192 WeakPolarHBondContact O-CA 3.36Å; G95-V193 VanDerWaalsContact CA-O 3.27Å; G95-V193 WeakPolarHBondContact CA-O 3.35Å; G95-V193 PolarHBondContact O-N 3.08Å
96	V	96.8	Very high	94.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.2	-172.6	177.7	0	0	0	0	111.8	S94 T190 G191 I192 Y195 T316 T444	S94-V96 PolarHBondContact O-N 3.24Å; V96-T190 HydrophobicContact CG1-CG2 3.82Å; V96-G191 CarbonylContact C-O 3.55Å; V96-G191 WeakPolarHBondContact CA-O 3.49Å; V96-I192 HydrophobicContact CG2-CG2 4.38Å; V96-Y195 WeakPolarHBondContact O-CE2 3.46Å; V96-Y195 PolarHBondContact O-OH 3.38Å; V96-T316 HydrophobicContact CG2-CG2 3.61Å; V96-T444 PolarHBondContact O-OG1 2.82Å
97	I	97.8	Very high	93.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	101.3	165.3	-55.7	177	0	0	0	106.9	A117 L120 Y121 T190 G191 V193 Y195 T444	I97-A117 HydrophobicContact CG2-CB 3.96Å; I97-L120 HydrophobicContact CD1-CD2 4.08Å; I97-L120 HydrophobicContact CG1-CD2 3.92Å; I97-L120 HydrophobicContact CG2-CD2 4.29Å; I97-Y121 HydrophobicContact CD1-CD1 4.14Å; I97-Y121 HydrophobicContact CD1-CE1 3.47Å; I97-Y121 VanDerWaalsContact CD1-CE1 3.47Å; I97-Y121 HydrophobicContact CG2-CE2 3.86Å; I97-T190 WeakPolarHBondContact O-CG2 3.27Å; I97-G191 PolarHBondContact N-O 3.39Å; I97-G191 PolarHBondContact O-N 3.35Å; I97-V193 HydrophobicContact CD1-CB 4.03Å; I97-V193 HydrophobicContact CD1-CG1 3.92Å; I97-V193 HydrophobicContact CG1-CB 4.32Å; I97-V193 HydrophobicContact CG1-CG1 3.75Å; I97-Y195 WeakPolarHBondContact CA-OH 3.3Å; I97-T444 HydrophobicContact CG2-CG2 3.95Å
98	H	95.6	Very high	93.4	Very high	27 Å²	27	36.6 Å²	36.6	13%	0.125	19%	0.187	C	C	.	.			trans	-75.4	144.8	-171.2	-69.9	-77.8	0	0	0	112.9	C113 P441 T444	H98-C113 PolarHBondContact O-SG 3.44Å; H98-P441 HydrophobicContact CB-CB 4Å; H98-T444 PolarHBondContact N-OG1 2.58Å; H98-T444 VanDerWaalsContact N-OG1 3.1Å
99	S	93.5	Very high	93	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.098	19%	0.185	C	C	.	.			trans	-80.4	-17.4	179.2	59.9	0	0	0	0	115.1	I161	S99-I161 WeakPolarHBondContact O-CD1 3.35Å; S99-I161 VanDerWaalsContact O-CG1 3.3Å; S99-I161 WeakPolarHBondContact O-CG1 3.23Å
100	G	92.8	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	97.5	-2.8	-173.6	0	0	0	0	0	115.7	Y102 Y103 C113 N159	G100-Y102 PolarHBondContact O-N 3.47Å; G100-Y103 VanDerWaalsContact O-CD2 3.3Å; G100-Y103 WeakPolarHBondContact O-CD2 3.34Å; G100-Y103 PolarHBondContact O-N 3.49Å; G100-C113 PolarHBondContact N-SG 3.42Å; G100-C113 VanDerWaalsContact N-SG 3.4Å; G100-N159 PolarHBondContact O-ND2 3.22Å
101	I	94	Very high	92.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-30.2	-164	-165.4	165	0	0	0	115.5	I138 L152 R155 I161 L164 I185	I101-I138 HydrophobicContact CD1-CD1 4.1Å; I101-I138 HydrophobicContact CG2-CD1 3.78Å; I101-L152 HydrophobicContact CD1-CG 4.32Å; I101-L152 HydrophobicContact CG1-CD1 4.06Å; I101-L152 HydrophobicContact CG1-CG 4.03Å; I101-L152 VanDerWaalsContact O-CD1 3.24Å; I101-L152 WeakPolarHBondContact O-CD1 3.26Å; I101-R155 WeakPolarHBondContact O-CD 3.38Å; I101-I161 VanDerWaalsContact CA-CD1 3.41Å; I101-I161 HydrophobicContact CB-CD1 3.7Å; I101-I161 HydrophobicContact CG1-CD1 4.25Å; I101-I161 VanDerWaalsContact N-CD1 3.33Å; I101-L164 HydrophobicContact CD1-CD1 4.12Å; I101-L164 HydrophobicContact CD1-CD2 4.16Å; I101-I185 HydrophobicContact CD1-CD1 3.98Å; I101-I185 HydrophobicContact CD1-CG2 3.79Å
102	Y	90.4	Very high	92.5	Very high	44 Å²	44	36.8 Å²	36.8	17%	0.173	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.2	-175.7	-67.4	-74.5	0	0	0	113.3	G100 I138 L152 R155 Y301 P304 L311	G100-Y102 PolarHBondContact O-N 3.47Å; Y102-I138 HydrophobicContact CE1-CD1 4.21Å; Y102-I138 HydrophobicContact CE2-CD1 4.22Å; Y102-I138 WeakPolarHBondContact OH-CD1 3.41Å; Y102-L152 HydrophobicContact CD1-CD1 4.12Å; Y102-L152 HydrophobicContact CD1-CD2 4.22Å; Y102-L152 HydrophobicContact CE1-CD2 3.88Å; Y102-R155 PolarHBondContact O-NH1 3.3Å; Y102-Y301 HydrophobicContact CE2-CD2 4.38Å; Y102-P304 HydrophobicContact CD1-CB 4.25Å; Y102-P304 HydrophobicContact CD1-CG 3.94Å; Y102-P304 HydrophobicContact CE1-CB 4.03Å; Y102-P304 HydrophobicContact CE1-CG 3.71Å; Y102-L311 HydrophobicContact CE1-CD1 4.19Å
103	Y	90.3	Very high	92.6	Very high	28 Å²	28	33.7 Å²	33.7	11%	0.11	16%	0.163	C	C	.	.	S	Bend	trans	-82.2	143.7	-167.2	-47.4	-55	0	0	0	111.8	G100 K109 C113 R155 N159 P441	G100-Y103 VanDerWaalsContact O-CD2 3.3Å; G100-Y103 WeakPolarHBondContact O-CD2 3.34Å; G100-Y103 PolarHBondContact O-N 3.49Å; Y103-K109 HydrophobicContact CD1-CB 4.24Å; Y103-K109 HydrophobicContact CD1-CD 4.08Å; Y103-K109 HydrophobicContact CG-CB 4.04Å; Y103-C113 HydrophobicContact CD2-CB 4.04Å; Y103-C113 HydrophobicContact CE2-CB 3.82Å; Y103-R155 WeakPolarHBondContact O-CD 3.5Å; Y103-N159 PolarHBondContact O-ND2 3.15Å; Y103-P441 HydrophobicContact CE1-CG 4.46Å; Y103-P441 HydrophobicContact CE2-CB 4.48Å; Y103-P441 HydrophobicContact CE2-CG 3.59Å; Y103-P441 VanDerWaalsContact CZ-CD 3.45Å; Y103-P441 VanDerWaalsContact OH-CB 3.3Å; Y103-P441 WeakPolarHBondContact OH-CB 3.49Å; Y103-P441 WeakPolarHBondContact OH-CD 3.47Å; Y103-P441 WeakPolarHBondContact OH-CG 3.41Å
104	K	91.1	Very high	92.7	Very high	144 Å²	144	34.6 Å²	34.6	63%	0.626	17%	0.17	S	C	*	.	P	Polyproline II helix	trans	-53.8	130.2	176.6	-174.5	-178.8	177	-178	0	109.7	S107 A110	K104-S107 VanDerWaalsContact O-CB 3.26Å; K104-S107 WeakPolarHBondContact O-CB 3.39Å; K104-S107 PolarHBondContact O-N 2.84Å; K104-S107 PolarHBondContact O-OG 2.69Å; K104-A110 WeakPolarHBondContact O-CB 3.47Å
105	P	93.2	Very high	92.9	Very high	31 Å²	31	39 Å²	39	20%	0.201	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	149.5	174.8	-25.9	34.7	0	0	0	112.3	S107 R155 Q158 N159	P105-S107 PolarHBondContact O-N 3.46Å; P105-R155 HydrophobicContact CG-CG 3.98Å; P105-Q158 HydrophobicContact CB-CB 4.26Å; P105-Q158 HydrophobicContact CG-CB 4.13Å; P105-Q158 VanDerWaalsContact CG-OE1 3.26Å; P105-N159 WeakPolarHBondContact CA-OD1 3.42Å
106	E	90.1	Very high	92.9	Very high	133 Å²	133	38.9 Å²	38.9	62%	0.621	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	-9.2	-175.9	-59.6	-53.7	121.6	0	0	117.3	K111	E106-K111 WeakPolarHBondContact O-CE 3.45Å; E106-K111 PolarHBondContact O-NZ 2.79Å; E106-K111 VanDerWaalsContact O-NZ 3.17Å; E106-K111 WeakPolarHBondContact OE2-CE 3.32Å; E106-K111 IonicContact OE2-NZ 3.16Å; E106-K111 PolarHBondContact OE2-NZ 2.99Å
107	S	90.2	Very high	93	Very high	27 Å²	27	39.5 Å²	39.5	19%	0.189	19%	0.193	C	C	.	.	S	Bend	trans	-64.6	153.6	173.9	68.4	0	0	0	0	112	K104 P105 K109 A110 K111	K104-S107 VanDerWaalsContact O-CB 3.26Å; K104-S107 WeakPolarHBondContact O-CB 3.39Å; K104-S107 PolarHBondContact O-N 2.84Å; K104-S107 PolarHBondContact O-OG 2.69Å; P105-S107 PolarHBondContact O-N 3.46Å; S107-K109 VanDerWaalsContact C-N 3.26Å; S107-K109 PolarHBondContact O-N 3.15Å; S107-A110 PolarHBondContact O-N 3.37Å; S107-A110 VanDerWaalsContact O-N 3.14Å; S107-A110 PolarHBondContact OG-N 3.18Å; S107-A110 VanDerWaalsContact OG-N 3.17Å; S107-K111 PolarHBondContact O-N 3.29Å; S107-K111 VanDerWaalsContact O-N 3.12Å
108	L	88.1	Confident	92.9	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.356	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-38.9	174.7	-65.7	176.3	0	0	0	110.9	A110 K111 L112 D418 F419 M452	L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 2.9Å; L108-K111 PolarHBondContact O-N 2.95Å; L108-L112 HydrophobicContact CB-CD1 4.27Å; L108-L112 VanDerWaalsContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.36Å; L108-L112 PolarHBondContact O-N 2.81Å; L108-D418 WeakPolarHBondContact CB-OD1 3.4Å; L108-F419 HydrophobicContact CB-CD2 4.42Å; L108-M452 HydrophobicContact CD1-CE 4.2Å; L108-M452 HydrophobicContact CD2-CE 3.95Å
109	K	88.3	Confident	93	Very high	30 Å²	30	43.8 Å²	43.8	13%	0.13	23%	0.225	C	C	.	.	H	α-helix	trans	-52	-47.8	172	-84.8	-173.3	169.6	158.5	0	113.4	Y103 S107 C113 E417 P439 S440	Y103-K109 HydrophobicContact CD1-CB 4.24Å; Y103-K109 HydrophobicContact CD1-CD 4.08Å; Y103-K109 HydrophobicContact CG-CB 4.04Å; S107-K109 VanDerWaalsContact C-N 3.26Å; S107-K109 PolarHBondContact O-N 3.15Å; K109-C113 WeakPolarHBondContact O-CB 3.31Å; K109-C113 PolarHBondContact O-N 3.3Å; K109-E417 WeakPolarHBondContact CD-O 3.44Å; K109-E417 WeakPolarHBondContact CE-O 3.27Å; K109-E417 PolarHBondContact NZ-O 3.02Å; K109-P439 HydrophobicContact CD-CG 4.48Å; K109-S440 WeakPolarHBondContact CE-O 3.16Å
110	A	91.8	Very high	93.3	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-51.2	-179.9	0	0	0	0	0	110.8	K104 S107 L108 C113 V114	K104-A110 WeakPolarHBondContact O-CB 3.47Å; S107-A110 PolarHBondContact O-N 3.37Å; S107-A110 VanDerWaalsContact O-N 3.14Å; S107-A110 PolarHBondContact OG-N 3.18Å; S107-A110 VanDerWaalsContact OG-N 3.17Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 2.9Å; A110-C113 PolarHBondContact O-N 2.93Å; A110-V114 WeakPolarHBondContact O-CG2 3.27Å; A110-V114 PolarHBondContact O-N 3.41Å
111	K	92.1	Very high	93.5	Very high	100 Å²	100	44.4 Å²	44.4	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-61	-51.8	-178.2	-68.9	174.9	176	162.4	0	112	E106 S107 L108 C113 V114 Q115	E106-K111 WeakPolarHBondContact O-CE 3.45Å; E106-K111 PolarHBondContact O-NZ 2.79Å; E106-K111 VanDerWaalsContact O-NZ 3.17Å; E106-K111 WeakPolarHBondContact OE2-CE 3.32Å; E106-K111 IonicContact OE2-NZ 3.16Å; E106-K111 PolarHBondContact OE2-NZ 2.99Å; S107-K111 PolarHBondContact O-N 3.29Å; S107-K111 VanDerWaalsContact O-N 3.12Å; L108-K111 PolarHBondContact O-N 2.95Å; K111-C113 VanDerWaalsContact C-N 3.33Å; K111-C113 PolarHBondContact O-N 3.14Å; K111-V114 PolarHBondContact O-N 3.35Å; K111-Q115 WeakPolarHBondContact O-CB 3.31Å; K111-Q115 PolarHBondContact O-N 2.95Å
112	L	93.6	Very high	93.8	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-30.6	-178.5	-64.1	175.2	0	0	0	112.6	L108 G116 F419 S445 A448 I449 M452	L108-L112 HydrophobicContact CB-CD1 4.27Å; L108-L112 VanDerWaalsContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.36Å; L108-L112 PolarHBondContact O-N 2.81Å; L112-G116 VanDerWaalsContact O-CA 3.26Å; L112-G116 WeakPolarHBondContact O-CA 3.47Å; L112-G116 PolarHBondContact O-N 3.4Å; L112-F419 HydrophobicContact CD1-CD2 4.09Å; L112-F419 HydrophobicContact CD1-CE2 3.52Å; L112-F419 HydrophobicContact CD1-CZ 4.11Å; L112-S445 PolarHBondContact O-OG 3.44Å; L112-A448 HydrophobicContact CB-CB 4.32Å; L112-A448 HydrophobicContact CD2-CB 3.74Å; L112-I449 HydrophobicContact CD1-CG1 4.13Å; L112-M452 HydrophobicContact CD1-CE 3.82Å; L112-M452 HydrophobicContact CD1-SD 4.4Å; L112-M452 HydrophobicContact CD2-CE 4.13Å; L112-M452 HydrophobicContact CG-CE 4.38Å
113	C	94.9	Very high	94.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-45.8	175.1	-174.5	0	0	0	0	111.8	H98 G100 Y103 K109 A110 K111 A117 P441 S445	H98-C113 PolarHBondContact O-SG 3.44Å; G100-C113 PolarHBondContact N-SG 3.42Å; G100-C113 VanDerWaalsContact N-SG 3.4Å; Y103-C113 HydrophobicContact CD2-CB 4.04Å; Y103-C113 HydrophobicContact CE2-CB 3.82Å; K109-C113 WeakPolarHBondContact O-CB 3.31Å; K109-C113 PolarHBondContact O-N 3.3Å; A110-C113 PolarHBondContact O-N 2.93Å; K111-C113 VanDerWaalsContact C-N 3.33Å; K111-C113 PolarHBondContact O-N 3.14Å; C113-A117 VanDerWaalsContact O-CB 3.31Å; C113-A117 WeakPolarHBondContact O-CB 3.26Å; C113-A117 PolarHBondContact O-N 3.12Å; C113-P441 HydrophobicContact CB-CG 3.64Å; C113-P441 VanDerWaalsContact SG-CG 3.5Å; C113-S445 VanDerWaalsContact CA-OG 3.31Å; C113-S445 WeakPolarHBondContact CA-OG 3.16Å; C113-S445 PolarHBondContact N-OG 3.49Å
114	V	94.8	Very high	94.6	Very high	48 Å²	48	45.9 Å²	45.9	29%	0.291	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-48.5	-179.3	174	0	0	0	0	110.2	A110 K111 A118 I161	A110-V114 WeakPolarHBondContact O-CG2 3.27Å; A110-V114 PolarHBondContact O-N 3.41Å; K111-V114 PolarHBondContact O-N 3.35Å; V114-A118 PolarHBondContact O-N 2.87Å; V114-I161 HydrophobicContact CG2-CG1 4.26Å
115	Q	95.6	Very high	94.9	Very high	106 Å²	106	45.9 Å²	45.9	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-46.8	175.8	-177.2	-176.5	-0.4	0	0	111.6	K111 A117 A118 L119 A448	K111-Q115 WeakPolarHBondContact O-CB 3.31Å; K111-Q115 PolarHBondContact O-N 2.95Å; Q115-A117 PolarHBondContact O-N 3.25Å; Q115-A118 PolarHBondContact O-N 2.82Å; Q115-L119 HydrophobicContact CG-CD1 3.99Å; Q115-L119 HydrophobicContact CG-CG 4.44Å; Q115-L119 WeakPolarHBondContact O-CG 3.39Å; Q115-L119 PolarHBondContact O-N 3.17Å; Q115-A448 HydrophobicContact CG-CB 4.32Å
116	G	96.7	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-38.4	-177.3	0	0	0	0	0	113.4	L112 A118 L119 L120 T444	L112-G116 VanDerWaalsContact O-CA 3.26Å; L112-G116 WeakPolarHBondContact O-CA 3.47Å; L112-G116 PolarHBondContact O-N 3.4Å; G116-A118 VanDerWaalsContact C-N 3.33Å; G116-A118 PolarHBondContact O-N 3.04Å; G116-L119 PolarHBondContact O-N 3.14Å; G116-L120 WeakPolarHBondContact O-CB 3.43Å; G116-L120 PolarHBondContact O-N 2.62Å; G116-T444 CarbonylContact C-O 3.43Å
117	A	97.2	Very high	95.6	Very high	14 Å²	14	48 Å²	48	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-43.8	173.9	0	0	0	0	0	111.8	I97 C113 Q115 L120 Y121 T444	I97-A117 HydrophobicContact CG2-CB 3.96Å; C113-A117 VanDerWaalsContact O-CB 3.31Å; C113-A117 WeakPolarHBondContact O-CB 3.26Å; C113-A117 PolarHBondContact O-N 3.12Å; Q115-A117 PolarHBondContact O-N 3.25Å; A117-L120 PolarHBondContact O-N 3.37Å; A117-Y121 WeakPolarHBondContact O-CD2 3.24Å; A117-Y121 PolarHBondContact O-N 2.98Å; A117-T444 HydrophobicContact CB-CG2 3.81Å
118	A	96.9	Very high	95.9	Very high	61 Å²	61	49.7 Å²	49.7	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-49.3	176.8	0	0	0	0	0	111.8	V114 Q115 G116 L120 Y121 E122	V114-A118 PolarHBondContact O-N 2.87Å; Q115-A118 PolarHBondContact O-N 2.82Å; G116-A118 VanDerWaalsContact C-N 3.33Å; G116-A118 PolarHBondContact O-N 3.04Å; A118-L120 VanDerWaalsContact C-N 3.28Å; A118-L120 PolarHBondContact O-N 3.17Å; A118-Y121 PolarHBondContact O-N 2.96Å; A118-E122 PolarHBondContact O-N 3.38Å
119	L	98.3	Very high	96.4	Very high	56 Å²	56	47 Å²	47	29%	0.293	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-39.1	177	-69	173.3	0	0	0	112.1	Q115 G116 E122 Y123 L447 A448	Q115-L119 HydrophobicContact CG-CD1 3.99Å; Q115-L119 HydrophobicContact CG-CG 4.44Å; Q115-L119 WeakPolarHBondContact O-CG 3.39Å; Q115-L119 PolarHBondContact O-N 3.17Å; G116-L119 PolarHBondContact O-N 3.14Å; L119-E122 PolarHBondContact O-N 2.78Å; L119-Y123 VanDerWaalsContact O-CB 3.26Å; L119-Y123 WeakPolarHBondContact O-CB 3.3Å; L119-Y123 PolarHBondContact O-N 3.01Å; L119-L447 HydrophobicContact CB-CB 4.04Å; L119-L447 HydrophobicContact CB-CD1 3.95Å; L119-L447 HydrophobicContact CD1-CB 4.09Å; L119-A448 HydrophobicContact CD1-CB 4.21Å
120	L	98.6	Very high	96.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-42	-180	-178.3	62	0	0	0	111.8	I97 G116 A117 A118 Y123 C124 V193 Y195 V198	I97-L120 HydrophobicContact CD1-CD2 4.08Å; I97-L120 HydrophobicContact CG1-CD2 3.92Å; I97-L120 HydrophobicContact CG2-CD2 4.29Å; G116-L120 WeakPolarHBondContact O-CB 3.43Å; G116-L120 PolarHBondContact O-N 2.62Å; A117-L120 PolarHBondContact O-N 3.37Å; A118-L120 VanDerWaalsContact C-N 3.28Å; A118-L120 PolarHBondContact O-N 3.17Å; L120-Y123 PolarHBondContact O-N 2.9Å; L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.25Å; L120-C124 PolarHBondContact O-SG 3.25Å; L120-V193 HydrophobicContact CD2-CG1 4.39Å; L120-Y195 HydrophobicContact CD2-CE1 3.6Å; L120-V198 HydrophobicContact CD1-CG1 3.75Å; L120-V198 HydrophobicContact CD1-CG2 4.15Å
121	Y	98.5	Very high	97.2	Very high	27 Å²	27	52.6 Å²	52.6	11%	0.106	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-44.8	174.6	-78.2	-55.4	0	0	0	112	I97 A117 A118 C124 Q125 Y131 Q133 H189 G191	I97-Y121 HydrophobicContact CD1-CD1 4.14Å; I97-Y121 HydrophobicContact CD1-CE1 3.47Å; I97-Y121 VanDerWaalsContact CD1-CE1 3.47Å; I97-Y121 HydrophobicContact CG2-CE2 3.86Å; A117-Y121 WeakPolarHBondContact O-CD2 3.24Å; A117-Y121 PolarHBondContact O-N 2.98Å; A118-Y121 PolarHBondContact O-N 2.96Å; Y121-C124 PolarHBondContact O-N 3.45Å; Y121-Q125 WeakPolarHBondContact O-CB 3.49Å; Y121-Q125 PolarHBondContact O-N 3.43Å; Y121-Y131 HydrophobicContact CD1-CD1 4.49Å; Y121-Y131 AromaticContact CD1-CD2 3.55Å; Y121-Y131 HydrophobicContact CD1-CD2 3.55Å; Y121-Y131 HydrophobicContact CD1-CE1 4.37Å; Y121-Y131 AromaticContact CD1-CE2 3.42Å; Y121-Y131 HydrophobicContact CD1-CE2 3.42Å; Y121-Y131 VanDerWaalsContact CD1-CE2 3.42Å; Y121-Y131 HydrophobicContact CD1-CG 4.09Å; Y121-Y131 AromaticContact CD1-CZ 3.85Å; Y121-Y131 AromaticContact CE1-CD2 3.46Å; Y121-Y131 HydrophobicContact CE1-CD2 3.46Å; Y121-Y131 VanDerWaalsContact CE1-CD2 3.46Å; Y121-Y131 AromaticContact CE1-CE2 3.69Å; Y121-Y131 HydrophobicContact CE1-CE2 3.69Å; Y121-Y131 HydrophobicContact CE1-CG 4.19Å; Y121-Q133 HydrophobicContact CD1-CG 4.49Å; Y121-Q133 HydrophobicContact CE1-CG 3.64Å; Y121-Q133 HydrophobicContact CE2-CG 4.48Å; Y121-H189 PolarHBondContact OH-O 2.88Å; Y121-G191 WeakPolarHBondContact OH-CA 3.49Å; Y121-G191 PolarHBondContact OH-N 3.37Å
122	E	98.5	Very high	97.5	Very high	100 Å²	100	53.2 Å²	53.2	47%	0.467	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-48.3	176	-176.6	-179.6	177.2	0	0	111.1	A118 L119 C124 Q125 Q126	A118-E122 PolarHBondContact O-N 3.38Å; L119-E122 PolarHBondContact O-N 2.78Å; E122-C124 PolarHBondContact O-N 2.73Å; E122-Q125 WeakPolarHBondContact O-CB 3.37Å; E122-Q125 PolarHBondContact O-N 3.06Å; E122-Q126 HydrophobicContact CG-CG 4.47Å; E122-Q126 VanDerWaalsContact O-CG 3.3Å; E122-Q126 WeakPolarHBondContact O-CG 3.46Å; E122-Q126 PolarHBondContact O-N 2.97Å; E122-Q126 PolarHBondContact OE1-NE2 3.4Å
123	Y	98.8	Very high	97.6	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-47.1	177.9	-177.4	-94.6	0	0	0	112.2	L119 L120 Q125 Q126 K127 I129 S201 F202 D205 L447	L119-Y123 VanDerWaalsContact O-CB 3.26Å; L119-Y123 WeakPolarHBondContact O-CB 3.3Å; L119-Y123 PolarHBondContact O-N 3.01Å; L120-Y123 PolarHBondContact O-N 2.9Å; Y123-Q125 VanDerWaalsContact C-N 3.3Å; Y123-Q125 PolarHBondContact O-N 2.98Å; Y123-Q126 PolarHBondContact O-N 2.86Å; Y123-K127 HydrophobicContact CD1-CG 4.27Å; Y123-K127 HydrophobicContact CD2-CG 4.29Å; Y123-K127 HydrophobicContact CE1-CB 4.38Å; Y123-K127 HydrophobicContact CE1-CG 3.8Å; Y123-K127 HydrophobicContact CE2-CD 4.47Å; Y123-K127 HydrophobicContact CE2-CG 3.83Å; Y123-K127 HydrophobicContact CG-CG 4.49Å; Y123-K127 WeakPolarHBondContact O-CB 3.48Å; Y123-K127 WeakPolarHBondContact O-CG 3.26Å; Y123-K127 PolarHBondContact O-N 3.48Å; Y123-I129 HydrophobicContact CD1-CD1 4.24Å; Y123-I129 HydrophobicContact CE1-CD1 3.82Å; Y123-S201 PolarHBondContact OH-O 3.36Å; Y123-S201 PolarHBondContact OH-OG 3.01Å; Y123-F202 AromaticContact CD1-CE1 3.71Å; Y123-F202 HydrophobicContact CD1-CE1 3.71Å; Y123-F202 HydrophobicContact CD1-CZ 4.45Å; Y123-F202 HydrophobicContact CD2-CE1 4.08Å; Y123-F202 AromaticContact CE1-CD1 3.74Å; Y123-F202 HydrophobicContact CE1-CD1 3.74Å; Y123-F202 AromaticContact CE1-CE1 3.37Å; Y123-F202 HydrophobicContact CE1-CE1 3.37Å; Y123-F202 HydrophobicContact CE1-CZ 4.37Å; Y123-F202 AromaticContact CE2-CD1 3.95Å; Y123-F202 HydrophobicContact CE2-CD1 3.95Å; Y123-F202 AromaticContact CE2-CE1 3.75Å; Y123-F202 HydrophobicContact CE2-CE1 3.75Å; Y123-F202 HydrophobicContact CG-CE1 4.05Å; Y123-F202 AromaticContact CZ-CD1 3.41Å; Y123-F202 VanDerWaalsContact CZ-CD1 3.41Å; Y123-F202 AromaticContact CZ-CE1 3.39Å; Y123-F202 WeakPolarHBondContact OH-CD1 3.38Å; Y123-D205 PolarHBondContact OH-OD2 2.91Å; Y123-L447 HydrophobicContact CD2-CD1 4.41Å; Y123-L447 HydrophobicContact CG-CD1 4.08Å
124	C	98.7	Very high	97.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-38.7	178.3	-70.6	0	0	0	0	111.8	L120 Y121 E122 G128 I129 Y131	L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.25Å; L120-C124 PolarHBondContact O-SG 3.25Å; Y121-C124 PolarHBondContact O-N 3.45Å; E122-C124 PolarHBondContact O-N 2.73Å; C124-G128 CarbonylContact O-C 3.47Å; C124-G128 WeakPolarHBondContact O-CA 3.3Å; C124-G128 PolarHBondContact O-N 3.21Å; C124-I129 HydrophobicContact CB-CB 3.99Å; C124-I129 HydrophobicContact CB-CG2 4.45Å; C124-I129 PolarHBondContact O-N 3.39Å; C124-Y131 HydrophobicContact CB-CD1 3.5Å; C124-Y131 VanDerWaalsContact CB-CD1 3.5Å; C124-Y131 HydrophobicContact CB-CE1 3.89Å; C124-Y131 HydrophobicContact CB-CG 4.49Å
125	Q	98.4	Very high	97.8	Very high	144 Å²	144	56.5 Å²	56.5	67%	0.673	30%	0.302	S	S	*	.	H	α-helix	trans	-63.9	-46.6	174.6	-174.8	176.9	21.7	0	0	111.7	Y121 E122 Y123 K127 G128	Y121-Q125 WeakPolarHBondContact O-CB 3.49Å; Y121-Q125 PolarHBondContact O-N 3.43Å; E122-Q125 WeakPolarHBondContact O-CB 3.37Å; E122-Q125 PolarHBondContact O-N 3.06Å; Y123-Q125 VanDerWaalsContact C-N 3.3Å; Y123-Q125 PolarHBondContact O-N 2.98Å; Q125-K127 VanDerWaalsContact C-N 3.32Å; Q125-K127 PolarHBondContact O-N 3.39Å; Q125-G128 PolarHBondContact O-N 2.85Å
126	Q	98.4	Very high	97.9	Very high	123 Å²	123	51.6 Å²	51.6	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-62.4	-38.3	179.3	-71.9	173.5	2.5	0	0	112.5	E122 Y123	E122-Q126 HydrophobicContact CG-CG 4.47Å; E122-Q126 VanDerWaalsContact O-CG 3.3Å; E122-Q126 WeakPolarHBondContact O-CG 3.46Å; E122-Q126 PolarHBondContact O-N 2.97Å; E122-Q126 PolarHBondContact OE1-NE2 3.4Å; Y123-Q126 PolarHBondContact O-N 2.86Å
127	K	98.4	Very high	98	Very high	84 Å²	84	51.9 Å²	51.9	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-92.1	-2.9	-177.7	-64.1	-67.4	177.7	173	0	114.3	Y123 Q125 I129 D205	Y123-K127 HydrophobicContact CD1-CG 4.27Å; Y123-K127 HydrophobicContact CD2-CG 4.29Å; Y123-K127 HydrophobicContact CE1-CB 4.38Å; Y123-K127 HydrophobicContact CE1-CG 3.8Å; Y123-K127 HydrophobicContact CE2-CD 4.47Å; Y123-K127 HydrophobicContact CE2-CG 3.83Å; Y123-K127 HydrophobicContact CG-CG 4.49Å; Y123-K127 WeakPolarHBondContact O-CB 3.48Å; Y123-K127 WeakPolarHBondContact O-CG 3.26Å; Y123-K127 PolarHBondContact O-N 3.48Å; Q125-K127 VanDerWaalsContact C-N 3.32Å; Q125-K127 PolarHBondContact O-N 3.39Å; K127-I129 VanDerWaalsContact C-N 3.28Å; K127-I129 HydrophobicContact CB-CD1 4.03Å; K127-I129 HydrophobicContact CB-CG1 3.96Å; K127-I129 PolarHBondContact O-N 2.89Å; K127-D205 WeakPolarHBondContact CE-OD1 3.39Å; K127-D205 WeakPolarHBondContact CE-OD2 3.47Å; K127-D205 IonicContact NZ-OD1 3.67Å; K127-D205 PolarHBondContact NZ-OD1 3.07Å; K127-D205 IonicContact NZ-OD2 2.73Å; K127-D205 PolarHBondContact NZ-OD2 3.44Å; K127-D205 VanDerWaalsContact NZ-OD2 3.16Å
128	G	98.3	Very high	98.1	Very high	64 Å²	64	51.2 Å²	51.2	66%	0.66	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	28.5	-175.6	0	0	0	0	0	113.7	C124 Q125	C124-G128 CarbonylContact O-C 3.47Å; C124-G128 WeakPolarHBondContact O-CA 3.3Å; C124-G128 PolarHBondContact O-N 3.21Å; Q125-G128 PolarHBondContact O-N 2.85Å
129	I	98.6	Very high	98.1	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.051	25%	0.251	C	S	.	.			trans	-80.9	125.1	175.7	-61.7	173.4	0	0	0	108.7	Y123 C124 K127 Y131 V193 Q197 V198	Y123-I129 HydrophobicContact CD1-CD1 4.24Å; Y123-I129 HydrophobicContact CE1-CD1 3.82Å; C124-I129 HydrophobicContact CB-CB 3.99Å; C124-I129 HydrophobicContact CB-CG2 4.45Å; C124-I129 PolarHBondContact O-N 3.39Å; K127-I129 VanDerWaalsContact C-N 3.28Å; K127-I129 HydrophobicContact CB-CD1 4.03Å; K127-I129 HydrophobicContact CB-CG1 3.96Å; K127-I129 PolarHBondContact O-N 2.89Å; I129-Y131 WeakPolarHBondContact O-CD1 3.36Å; I129-Y131 PolarHBondContact O-N 3.06Å; I129-V193 HydrophobicContact CG2-CG2 4.03Å; I129-Q197 HydrophobicContact CG2-CG 4.26Å; I129-V198 HydrophobicContact CD1-CG2 4.32Å; I129-V198 HydrophobicContact CG2-CG2 4.17Å
130	S	98.3	Very high	98.1	Very high	76 Å²	76	45.6 Å²	45.6	53%	0.531	24%	0.237	S	C	.	.			trans	-65.2	129.1	179.1	-64.8	0	0	0	0	111.7	M319	S130-M319 WeakPolarHBondContact O-CE 3.21Å
131	Y	98.3	Very high	98	Very high	76 Å²	76	46.6 Å²	46.6	30%	0.298	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	166	170.5	66.5	-93.9	0	0	0	110.2	Y121 C124 I129 Q133 I192	Y121-Y131 HydrophobicContact CD1-CD1 4.49Å; Y121-Y131 AromaticContact CD1-CD2 3.55Å; Y121-Y131 HydrophobicContact CD1-CD2 3.55Å; Y121-Y131 HydrophobicContact CD1-CE1 4.37Å; Y121-Y131 AromaticContact CD1-CE2 3.42Å; Y121-Y131 HydrophobicContact CD1-CE2 3.42Å; Y121-Y131 VanDerWaalsContact CD1-CE2 3.42Å; Y121-Y131 HydrophobicContact CD1-CG 4.09Å; Y121-Y131 AromaticContact CD1-CZ 3.85Å; Y121-Y131 AromaticContact CE1-CD2 3.46Å; Y121-Y131 HydrophobicContact CE1-CD2 3.46Å; Y121-Y131 VanDerWaalsContact CE1-CD2 3.46Å; Y121-Y131 AromaticContact CE1-CE2 3.69Å; Y121-Y131 HydrophobicContact CE1-CE2 3.69Å; Y121-Y131 HydrophobicContact CE1-CG 4.19Å; C124-Y131 HydrophobicContact CB-CD1 3.5Å; C124-Y131 VanDerWaalsContact CB-CD1 3.5Å; C124-Y131 HydrophobicContact CB-CE1 3.89Å; C124-Y131 HydrophobicContact CB-CG 4.49Å; I129-Y131 WeakPolarHBondContact O-CD1 3.36Å; I129-Y131 PolarHBondContact O-N 3.06Å; Y131-Q133 HydrophobicContact CD2-CG 4.49Å; Y131-Q133 HydrophobicContact CE2-CG 4.32Å; Y131-I192 WeakPolarHBondContact CA-O 3.41Å; Y131-I192 WeakPolarHBondContact CB-O 3.41Å
132	K	97.7	Very high	97.8	Very high	113 Å²	113	49 Å²	49	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.6	174.4	-173	-179.7	179.6	-176.4	0	111.3	C134 G191 I192 M319	K132-C134 VanDerWaalsContact C-N 3.31Å; K132-C134 HydrophobicContact CD-CB 4.13Å; K132-C134 HydrophobicContact CG-CB 4.12Å; K132-C134 PolarHBondContact O-N 3.24Å; K132-C134 VanDerWaalsContact O-N 3.15Å; K132-G191 CarbonylContact O-C 3.58Å; K132-G191 WeakPolarHBondContact O-CA 3.27Å; K132-I192 HydrophobicContact CB-CD1 4.3Å; K132-I192 HydrophobicContact CB-CG1 3.86Å; K132-I192 PolarHBondContact N-O 3.32Å; K132-I192 PolarHBondContact O-N 3.07Å; K132-M319 HydrophobicContact CB-SD 4.28Å
133	Q	96.6	Very high	97.7	Very high	94 Å²	94	49.8 Å²	49.8	44%	0.439	26%	0.259	S	S	.	.			trans	-84.8	73.7	168.3	-70.8	-174.8	-52.3	0	0	109.9	Y121 Y131 G135	Y121-Q133 HydrophobicContact CD1-CG 4.49Å; Y121-Q133 HydrophobicContact CE1-CG 3.64Å; Y121-Q133 HydrophobicContact CE2-CG 4.48Å; Y131-Q133 HydrophobicContact CD2-CG 4.49Å; Y131-Q133 HydrophobicContact CE2-CG 4.32Å; Q133-G135 PolarHBondContact O-N 3.28Å
134	C	96.4	Very high	97.5	Very high	25 Å²	25	56.1 Å²	56.1	17%	0.169	29%	0.289	C	S	.	.			trans	-79.7	-3.4	-177.8	57.7	0	0	0	0	114	K132 T190 G298 N299	K132-C134 VanDerWaalsContact C-N 3.31Å; K132-C134 HydrophobicContact CD-CB 4.13Å; K132-C134 HydrophobicContact CG-CB 4.12Å; K132-C134 PolarHBondContact O-N 3.24Å; K132-C134 VanDerWaalsContact O-N 3.15Å; C134-T190 PolarHBondContact N-O 3.24Å; C134-G298 WeakPolarHBondContact O-CA 3.46Å; C134-N299 PolarHBondContact SG-ND2 2.96Å
135	G	97.3	Very high	97.3	Very high	9 Å²	9	57.4 Å²	57.4	9%	0.093	29%	0.294	C	S	.	.			trans	71.3	176.8	-177.2	0	0	0	0	0	113.3	Q133 C187 T190 N299	Q133-G135 PolarHBondContact O-N 3.28Å; G135-C187 CarbonylContact C-O 3.6Å; G135-C187 WeakPolarHBondContact CA-O 3.4Å; G135-T190 VanDerWaalsContact CA-O 3.3Å; G135-T190 WeakPolarHBondContact CA-O 3.37Å; G135-T190 PolarHBondContact N-O 2.91Å; G135-N299 WeakPolarHBondContact O-CB 2.97Å; G135-N299 PolarHBondContact O-N 2.83Å; G135-N299 VanDerWaalsContact O-N 3.14Å; G135-N299 PolarHBondContact O-ND2 3.42Å
136	K	97.9	Very high	97.3	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	134.4	173.7	173.8	-177.9	60.9	179.2	0	110.4	I138 C187 T190 N299 Y301	K136-I138 HydrophobicContact CD-CG1 4.22Å; K136-I138 HydrophobicContact CG-CG1 4.34Å; K136-C187 HydrophobicContact CB-CB 4.12Å; K136-C187 PolarHBondContact N-O 3.48Å; K136-C187 PolarHBondContact O-N 3.41Å; K136-T190 HydrophobicContact CB-CG2 3.8Å; K136-T190 HydrophobicContact CD-CG2 4.37Å; K136-N299 CarbonylContact C-O 3.54Å; K136-N299 VanDerWaalsContact CA-O 3.27Å; K136-N299 WeakPolarHBondContact CA-O 3.42Å; K136-N299 HydrophobicContact CB-CB 3.73Å; K136-N299 HydrophobicContact CG-CB 3.83Å; K136-Y301 HydrophobicContact CD-CD1 4.14Å; K136-Y301 HydrophobicContact CD-CD2 3.93Å; K136-Y301 HydrophobicContact CD-CE1 4.49Å; K136-Y301 HydrophobicContact CD-CE2 4.29Å; K136-Y301 HydrophobicContact CD-CG 3.91Å; K136-Y301 HydrophobicContact CG-CD1 4.15Å; K136-Y301 HydrophobicContact CG-CG 4.22Å
137	L	98.4	Very high	97.2	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.7	164.3	-61.8	-172	0	0	0	109.5	V139 I167 I172 K175 E176 I185 D186 N299 Y301	L137-V139 HydrophobicContact CB-CG2 3.69Å; L137-I167 HydrophobicContact CD2-CD1 3.78Å; L137-I172 HydrophobicContact CD1-CG2 4.14Å; L137-K175 HydrophobicContact CD1-CB 4.42Å; L137-K175 HydrophobicContact CD2-CD 4.19Å; L137-E176 HydrophobicContact CD1-CB 4.18Å; L137-E176 HydrophobicContact CD1-CG 3.69Å; L137-E176 HydrophobicContact CG-CG 4.43Å; L137-I185 WeakPolarHBondContact CA-O 3.44Å; L137-D186 HydrophobicContact CD2-CB 4.01Å; L137-N299 PolarHBondContact N-O 3.2Å; L137-Y301 PolarHBondContact O-N 2.83Å
138	I	98	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.8	163.9	-55.7	176.1	0	0	0	106.3	I101 Y102 K136 L149 L152 A184 I185 Y301 P302 V303	I101-I138 HydrophobicContact CD1-CD1 4.1Å; I101-I138 HydrophobicContact CG2-CD1 3.78Å; Y102-I138 HydrophobicContact CE1-CD1 4.21Å; Y102-I138 HydrophobicContact CE2-CD1 4.22Å; Y102-I138 WeakPolarHBondContact OH-CD1 3.41Å; K136-I138 HydrophobicContact CD-CG1 4.22Å; K136-I138 HydrophobicContact CG-CG1 4.34Å; I138-L149 HydrophobicContact CB-CD1 4.23Å; I138-L149 HydrophobicContact CG2-CD1 3.84Å; I138-L149 VanDerWaalsContact O-CD1 3.31Å; I138-L149 WeakPolarHBondContact O-CD1 3.45Å; I138-L152 HydrophobicContact CD1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.11Å; I138-A184 CarbonylContact O-C 3.58Å; I138-A184 WeakPolarHBondContact O-CA 3.48Å; I138-A184 VanDerWaalsContact O-CB 3.28Å; I138-A184 WeakPolarHBondContact O-CB 3.39Å; I138-I185 HydrophobicContact CB-CB 4.33Å; I138-I185 PolarHBondContact N-O 3.48Å; I138-I185 PolarHBondContact O-N 2.88Å; I138-Y301 CarbonylContact C-O 3.59Å; I138-Y301 VanDerWaalsContact CA-O 3.31Å; I138-Y301 WeakPolarHBondContact CA-O 3.39Å; I138-P302 WeakPolarHBondContact CG2-O 3.23Å; I138-V303 HydrophobicContact CG2-CG2 4.45Å
139	V	98	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.5	-162.5	-173.9	0	0	0	0	110.5	L137 V141 I172 A184 I300 Y301 V303 F388	L137-V139 HydrophobicContact CB-CG2 3.69Å; V139-V141 HydrophobicContact CG1-CG1 4.05Å; V139-I172 HydrophobicContact CG1-CD1 4.42Å; V139-A184 HydrophobicContact CB-CB 4.43Å; V139-A184 HydrophobicContact CG2-CB 4.02Å; V139-I300 HydrophobicContact CG2-CG2 4.14Å; V139-Y301 PolarHBondContact N-O 2.9Å; V139-V303 WeakPolarHBondContact O-CG2 3.48Å; V139-F388 HydrophobicContact CB-CD1 3.97Å; V139-F388 HydrophobicContact CB-CE1 3.91Å; V139-F388 HydrophobicContact CG1-CD1 4.24Å; V139-F388 HydrophobicContact CG1-CE1 4.38Å
140	A	97.6	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.3	165.4	0	0	0	0	0	109.1	E145 I146 L149 G181 L182 M183 V303	A140-E145 WeakPolarHBondContact CA-OE2 3.39Å; A140-E145 HydrophobicContact CB-CB 3.82Å; A140-I146 HydrophobicContact CB-CG1 4.2Å; A140-L149 HydrophobicContact CB-CD2 4.04Å; A140-G181 CarbonylContact O-C 3.6Å; A140-G181 WeakPolarHBondContact O-CA 3.19Å; A140-L182 PolarHBondContact O-N 2.91Å; A140-M183 PolarHBondContact N-O 2.94Å; A140-V303 HydrophobicContact CB-CG2 3.89Å
141	V	96.1	Very high	96.9	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.121	24%	0.243	C	C	.	.			trans	-109.4	-16.8	179	-63.4	0	0	0	0	112.3	V139 E145 K387 F388	V139-V141 HydrophobicContact CG1-CG1 4.05Å; V141-E145 PolarHBondContact N-OE2 2.79Å; V141-K387 HydrophobicContact CG2-CB 4.06Å; V141-K387 HydrophobicContact CG2-CD 4.14Å; V141-F388 HydrophobicContact CG1-CD1 3.65Å; V141-F388 HydrophobicContact CG1-CE1 3.56Å; V141-F388 HydrophobicContact CG1-CG 4.34Å; V141-F388 HydrophobicContact CG1-CZ 4.17Å; V141-F388 HydrophobicContact CG2-CE1 4.41Å; V141-F388 HydrophobicContact CG2-CZ 4.25Å
142	E	95.1	Very high	96.8	Very high	79 Å²	79	45.3 Å²	45.3	37%	0.369	23%	0.23	S	C	.	.	S	Bend	trans	-119.5	155.9	173.1	-47.7	-69.2	175.5	0	0	110.8	E144 E145 L182 K387	E142-E144 VanDerWaalsContact C-N 3.31Å; E142-E144 WeakPolarHBondContact CB-OE2 3.27Å; E142-E144 PolarHBondContact O-N 3.33Å; E142-E145 HydrophobicContact CB-CG 4.29Å; E142-E145 PolarHBondContact N-OE2 2.83Å; E142-E145 VanDerWaalsContact N-OE2 3.12Å; E142-E145 WeakPolarHBondContact O-CB 3.38Å; E142-E145 PolarHBondContact O-N 3.25Å; E142-L182 VanDerWaalsContact C-CD1 3.46Å; E142-K387 IonicContact OE1-NZ 2.74Å; E142-K387 PolarHBondContact OE1-NZ 3.3Å
143	Q	96.2	Very high	96.8	Very high	115 Å²	115	42.6 Å²	42.6	54%	0.537	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-66.6	-33.1	-175.9	-78.5	-62.1	0.4	0	0	113.4	E145 I146 L182	Q143-E145 PolarHBondContact O-N 3.34Å; Q143-E145 VanDerWaalsContact O-N 3.16Å; Q143-I146 PolarHBondContact O-N 3.1Å; Q143-L182 HydrophobicContact CG-CD1 4Å
144	E	94.6	Very high	96.9	Very high	139 Å²	139	43.7 Å²	43.7	65%	0.65	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.8	-12.7	-179.9	-55.1	74.7	-161.3	0	0	112.3	E142	E142-E144 VanDerWaalsContact C-N 3.31Å; E142-E144 WeakPolarHBondContact CB-OE2 3.27Å; E142-E144 PolarHBondContact O-N 3.33Å
145	E	95.6	Very high	96.9	Very high	26 Å²	26	47.1 Å²	47.1	12%	0.121	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-84.4	-22.5	176.9	-64.3	175.1	155.9	0	0	112.8	A140 V141 E142 Q143 R148 L149 V303	A140-E145 WeakPolarHBondContact CA-OE2 3.39Å; A140-E145 HydrophobicContact CB-CB 3.82Å; V141-E145 PolarHBondContact N-OE2 2.79Å; E142-E145 HydrophobicContact CB-CG 4.29Å; E142-E145 PolarHBondContact N-OE2 2.83Å; E142-E145 VanDerWaalsContact N-OE2 3.12Å; E142-E145 WeakPolarHBondContact O-CB 3.38Å; E142-E145 PolarHBondContact O-N 3.25Å; Q143-E145 PolarHBondContact O-N 3.34Å; Q143-E145 VanDerWaalsContact O-N 3.16Å; E145-R148 PolarHBondContact O-N 3.31Å; E145-L149 PolarHBondContact O-N 3.23Å; E145-V303 HydrophobicContact CB-CB 4.23Å; E145-V303 HydrophobicContact CB-CG1 4.48Å; E145-V303 HydrophobicContact CB-CG2 4Å
146	I	97.1	Very high	96.9	Very high	24 Å²	24	46.7 Å²	46.7	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-47.2	-174.2	-63.1	-169	0	0	0	113	A140 Q143 R148 L149 Q150 L182 M183	A140-I146 HydrophobicContact CB-CG1 4.2Å; Q143-I146 PolarHBondContact O-N 3.1Å; I146-R148 VanDerWaalsContact C-N 3.27Å; I146-R148 PolarHBondContact O-N 3.05Å; I146-L149 WeakPolarHBondContact O-CB 3.24Å; I146-L149 PolarHBondContact O-N 3.02Å; I146-L149 VanDerWaalsContact O-N 3.14Å; I146-Q150 HydrophobicContact CG2-CG 4.33Å; I146-Q150 WeakPolarHBondContact O-CG 3.11Å; I146-Q150 PolarHBondContact O-N 2.76Å; I146-L182 HydrophobicContact CD1-CB 4.33Å; I146-M183 HydrophobicContact CD1-CB 4.43Å; I146-M183 HydrophobicContact CD1-CE 4.38Å; I146-M183 HydrophobicContact CG2-CE 4.23Å; I146-M183 HydrophobicContact CG2-SD 4.07Å
147	P	96.8	Very high	96.8	Very high	82 Å²	82	50.8 Å²	50.8	53%	0.532	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-37.7	178.6	-24.9	35.5	0	0	0	112.6	Q150 A151	P147-Q150 PolarHBondContact O-N 3.43Å; P147-A151 PolarHBondContact O-N 3.27Å
148	R	95.5	Very high	96.7	Very high	75 Å²	75	56.4 Å²	56.4	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-69.1	-38.6	176.7	-68.1	-175.9	-71.4	174.2	3.8	111.8	E145 I146 L152 V303 D305	E145-R148 PolarHBondContact O-N 3.31Å; I146-R148 VanDerWaalsContact C-N 3.27Å; I146-R148 PolarHBondContact O-N 3.05Å; R148-L152 WeakPolarHBondContact O-CB 3.25Å; R148-L152 PolarHBondContact O-N 3.1Å; R148-V303 HydrophobicContact CB-CG1 3.82Å; R148-D305 IonicContact NH1-OD1 2.78Å; R148-D305 IonicContact NH1-OD2 2.72Å; R148-D305 PolarHBondContact NH1-OD2 3.43Å
149	L	97.3	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-45.7	173.5	-173	79.3	0	0	0	110.9	I138 A140 E145 I146 L152 Y153 L166 M183 I185 V303	I138-L149 HydrophobicContact CB-CD1 4.23Å; I138-L149 HydrophobicContact CG2-CD1 3.84Å; I138-L149 VanDerWaalsContact O-CD1 3.31Å; I138-L149 WeakPolarHBondContact O-CD1 3.45Å; A140-L149 HydrophobicContact CB-CD2 4.04Å; E145-L149 PolarHBondContact O-N 3.23Å; I146-L149 WeakPolarHBondContact O-CB 3.24Å; I146-L149 PolarHBondContact O-N 3.02Å; I146-L149 VanDerWaalsContact O-N 3.14Å; L149-L152 WeakPolarHBondContact O-CB 3.49Å; L149-L152 PolarHBondContact O-N 3Å; L149-Y153 PolarHBondContact O-N 3.47Å; L149-L166 HydrophobicContact CD2-CD1 4Å; L149-L166 HydrophobicContact CG-CD1 4.38Å; L149-M183 HydrophobicContact CD2-CB 3.88Å; L149-M183 HydrophobicContact CD2-CG 3.76Å; L149-M183 HydrophobicContact CD2-SD 4.28Å; L149-I185 HydrophobicContact CD1-CD1 3.73Å; L149-I185 HydrophobicContact CD1-CG1 3.72Å; L149-I185 HydrophobicContact CG-CD1 4.07Å; L149-I185 HydrophobicContact CG-CG1 3.88Å; L149-I185 WeakPolarHBondContact O-CD1 3.49Å; L149-V303 HydrophobicContact CB-CG1 4.39Å; L149-V303 HydrophobicContact CB-CG2 4.17Å; L149-V303 HydrophobicContact CD1-CG2 3.73Å
150	Q	97.8	Very high	96.5	Very high	83 Å²	83	59.2 Å²	59.2	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-44.5	178.5	-72	174.2	-27	0	0	112.1	I146 P147 L152 Y153 E154 L166	I146-Q150 HydrophobicContact CG2-CG 4.33Å; I146-Q150 WeakPolarHBondContact O-CG 3.11Å; I146-Q150 PolarHBondContact O-N 2.76Å; P147-Q150 PolarHBondContact O-N 3.43Å; Q150-L152 VanDerWaalsContact C-N 3.26Å; Q150-L152 PolarHBondContact O-N 2.79Å; Q150-Y153 WeakPolarHBondContact O-CB 3.48Å; Q150-Y153 PolarHBondContact O-N 3.04Å; Q150-Y153 VanDerWaalsContact O-N 3.07Å; Q150-E154 PolarHBondContact O-N 3.03Å; Q150-L166 HydrophobicContact CG-CD2 4.23Å
151	A	96.6	Very high	96.4	Very high	54 Å²	54	60 Å²	60	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-36.3	173.8	0	0	0	0	0	112.4	P147 R155	P147-A151 PolarHBondContact O-N 3.27Å; A151-R155 WeakPolarHBondContact O-CB 3.48Å; A151-R155 PolarHBondContact O-N 3.35Å
152	L	96.6	Very high	96.2	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-69.3	-34.6	174.7	-175.9	63.8	0	0	0	112.4	I101 Y102 I138 R148 L149 Q150 G156 I185 P304	I101-L152 HydrophobicContact CD1-CG 4.32Å; I101-L152 HydrophobicContact CG1-CD1 4.06Å; I101-L152 HydrophobicContact CG1-CG 4.03Å; I101-L152 VanDerWaalsContact O-CD1 3.24Å; I101-L152 WeakPolarHBondContact O-CD1 3.26Å; Y102-L152 HydrophobicContact CD1-CD1 4.12Å; Y102-L152 HydrophobicContact CD1-CD2 4.22Å; Y102-L152 HydrophobicContact CE1-CD2 3.88Å; I138-L152 HydrophobicContact CD1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.11Å; R148-L152 WeakPolarHBondContact O-CB 3.25Å; R148-L152 PolarHBondContact O-N 3.1Å; L149-L152 WeakPolarHBondContact O-CB 3.49Å; L149-L152 PolarHBondContact O-N 3Å; Q150-L152 VanDerWaalsContact C-N 3.26Å; Q150-L152 PolarHBondContact O-N 2.79Å; L152-G156 PolarHBondContact O-N 3.31Å; L152-I185 HydrophobicContact CB-CD1 4.02Å; L152-I185 HydrophobicContact CD2-CD1 4.07Å; L152-I185 HydrophobicContact CG-CD1 3.96Å; L152-P304 HydrophobicContact CD2-CG 3.89Å
153	Y	98.1	Very high	96.2	Very high	56 Å²	56	64 Å²	64	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-49.1	173.2	177.1	-109.1	0	0	0	111.1	L149 Q150 R155 G156 L157 L164 L166 I185	L149-Y153 PolarHBondContact O-N 3.47Å; Q150-Y153 WeakPolarHBondContact O-CB 3.48Å; Q150-Y153 PolarHBondContact O-N 3.04Å; Q150-Y153 VanDerWaalsContact O-N 3.07Å; Y153-R155 VanDerWaalsContact C-N 3.33Å; Y153-R155 PolarHBondContact O-N 3.18Å; Y153-G156 WeakPolarHBondContact O-CA 3.49Å; Y153-G156 PolarHBondContact O-N 3.49Å; Y153-L157 HydrophobicContact CD1-CD1 4.19Å; Y153-L157 HydrophobicContact CE1-CD1 3.64Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD2 4.34Å; Y153-L157 PolarHBondContact O-N 3.41Å; Y153-L164 HydrophobicContact CD2-CB 4.36Å; Y153-L164 HydrophobicContact CE2-CB 3.84Å; Y153-L164 PolarHBondContact OH-O 2.92Å; Y153-L166 HydrophobicContact CD2-CB 4.44Å; Y153-L166 HydrophobicContact CE2-CB 4.43Å; Y153-I185 HydrophobicContact CD2-CG1 4.38Å; Y153-I185 HydrophobicContact CD2-CG2 4.18Å
154	E	97.6	Very high	96.2	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-43.6	176.2	-69.8	175.9	-177.2	0	0	112	Q150 G156 L157 Q158	Q150-E154 PolarHBondContact O-N 3.03Å; E154-G156 VanDerWaalsContact C-N 3.29Å; E154-G156 PolarHBondContact O-N 3.01Å; E154-L157 WeakPolarHBondContact O-CB 3.05Å; E154-L157 PolarHBondContact O-N 3.2Å; E154-L157 VanDerWaalsContact O-N 3.16Å; E154-Q158 WeakPolarHBondContact O-CG 3.23Å; E154-Q158 PolarHBondContact O-N 2.81Å
155	R	96.6	Very high	96.4	Very high	97 Å²	97	58.6 Å²	58.6	37%	0.366	30%	0.301	S	S	.	.	H	α-helix	trans	-56.4	-43.8	172.2	176.4	178.5	-62.9	-175.2	4.8	111.9	I101 Y102 Y103 P105 A151 Y153 L157 Q158 N159	I101-R155 WeakPolarHBondContact O-CD 3.38Å; Y102-R155 PolarHBondContact O-NH1 3.3Å; Y103-R155 WeakPolarHBondContact O-CD 3.5Å; P105-R155 HydrophobicContact CG-CG 3.98Å; A151-R155 WeakPolarHBondContact O-CB 3.48Å; A151-R155 PolarHBondContact O-N 3.35Å; Y153-R155 VanDerWaalsContact C-N 3.33Å; Y153-R155 PolarHBondContact O-N 3.18Å; R155-L157 VanDerWaalsContact C-N 3.32Å; R155-L157 PolarHBondContact O-N 3.18Å; R155-Q158 PolarHBondContact O-N 3.15Å; R155-N159 PolarHBondContact O-N 3.36Å
156	G	96.4	Very high	96.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-39.4	177	0	0	0	0	0	113.1	L152 Y153 E154 N159 G160 I161	L152-G156 PolarHBondContact O-N 3.31Å; Y153-G156 WeakPolarHBondContact O-CA 3.49Å; Y153-G156 PolarHBondContact O-N 3.49Å; E154-G156 VanDerWaalsContact C-N 3.29Å; E154-G156 PolarHBondContact O-N 3.01Å; G156-N159 PolarHBondContact O-N 2.98Å; G156-G160 PolarHBondContact O-N 2.99Å; G156-I161 WeakPolarHBondContact O-CB 3.31Å; G156-I161 WeakPolarHBondContact O-CG1 3.09Å; G156-I161 PolarHBondContact O-N 3.04Å
157	L	96.8	Very high	96.6	Very high	88 Å²	88	59.4 Å²	59.4	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-43.8	174.2	-62.3	-179.3	0	0	0	111.7	Y153 E154 R155 N159 G160 L164	Y153-L157 HydrophobicContact CD1-CD1 4.19Å; Y153-L157 HydrophobicContact CE1-CD1 3.64Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD2 4.34Å; Y153-L157 PolarHBondContact O-N 3.41Å; E154-L157 WeakPolarHBondContact O-CB 3.05Å; E154-L157 PolarHBondContact O-N 3.2Å; E154-L157 VanDerWaalsContact O-N 3.16Å; R155-L157 VanDerWaalsContact C-N 3.32Å; R155-L157 PolarHBondContact O-N 3.18Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 2.96Å; L157-G160 PolarHBondContact O-N 3.36Å; L157-L164 HydrophobicContact CD2-CB 4.4Å
158	Q	97.2	Very high	96.6	Very high	124 Å²	124	60.4 Å²	60.4	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-35.2	176	-69.8	172.3	3	0	0	112.3	P105 E154 R155 G160	P105-Q158 HydrophobicContact CB-CB 4.26Å; P105-Q158 HydrophobicContact CG-CB 4.13Å; P105-Q158 VanDerWaalsContact CG-OE1 3.26Å; E154-Q158 WeakPolarHBondContact O-CG 3.23Å; E154-Q158 PolarHBondContact O-N 2.81Å; R155-Q158 PolarHBondContact O-N 3.15Å; Q158-G160 PolarHBondContact O-N 3.02Å
159	N	96.1	Very high	96.7	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.112	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-0.9	174.3	-69.6	-6.7	0	0	0	113.4	G100 Y103 P105 R155 G156 L157 I161	G100-N159 PolarHBondContact O-ND2 3.22Å; Y103-N159 PolarHBondContact O-ND2 3.15Å; P105-N159 WeakPolarHBondContact CA-OD1 3.42Å; R155-N159 PolarHBondContact O-N 3.36Å; G156-N159 PolarHBondContact O-N 2.98Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 2.96Å; N159-I161 VanDerWaalsContact C-N 3.32Å; N159-I161 HydrophobicContact CB-CD1 4.21Å; N159-I161 HydrophobicContact CB-CG1 4.01Å; N159-I161 PolarHBondContact O-N 2.84Å
160	G	94.6	Very high	96.7	Very high	37 Å²	37	69.3 Å²	69.3	38%	0.381	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	21.1	178.3	0	0	0	0	0	114.4	G156 L157 Q158 Q162	G156-G160 PolarHBondContact O-N 2.99Å; L157-G160 PolarHBondContact O-N 3.36Å; Q158-G160 PolarHBondContact O-N 3.02Å; G160-Q162 PolarHBondContact O-N 3.08Å; G160-Q162 PolarHBondContact O-NE2 2.94Å
161	I	94.9	Very high	96.7	Very high	18 Å²	18	68.3 Å²	68.3	9%	0.092	35%	0.345	C	S	.	.			trans	-71	117.7	-177.4	-54.2	175.8	0	0	0	109.5	S99 I101 V114 G156 N159 L164	S99-I161 WeakPolarHBondContact O-CD1 3.35Å; S99-I161 VanDerWaalsContact O-CG1 3.3Å; S99-I161 WeakPolarHBondContact O-CG1 3.23Å; I101-I161 VanDerWaalsContact CA-CD1 3.41Å; I101-I161 HydrophobicContact CB-CD1 3.7Å; I101-I161 HydrophobicContact CG1-CD1 4.25Å; I101-I161 VanDerWaalsContact N-CD1 3.33Å; V114-I161 HydrophobicContact CG2-CG1 4.26Å; G156-I161 WeakPolarHBondContact O-CB 3.31Å; G156-I161 WeakPolarHBondContact O-CG1 3.09Å; G156-I161 PolarHBondContact O-N 3.04Å; N159-I161 VanDerWaalsContact C-N 3.32Å; N159-I161 HydrophobicContact CB-CD1 4.21Å; N159-I161 HydrophobicContact CB-CG1 4.01Å; N159-I161 PolarHBondContact O-N 2.84Å; I161-L164 HydrophobicContact CB-CD1 3.72Å; I161-L164 HydrophobicContact CB-CG 3.91Å; I161-L164 HydrophobicContact CD1-CD1 4.27Å; I161-L164 HydrophobicContact CG2-CD1 3.98Å; I161-L164 HydrophobicContact CG2-CD2 3.88Å; I161-L164 HydrophobicContact CG2-CG 3.68Å
162	Q	92.6	Very high	96.8	Very high	142 Å²	142	65.8 Å²	65.8	66%	0.664	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	146.6	-177	-58.7	-59.7	-50.1	0	0	112	G160 L164 H189	G160-Q162 PolarHBondContact O-N 3.08Å; G160-Q162 PolarHBondContact O-NE2 2.94Å; Q162-L164 VanDerWaalsContact C-N 3.25Å; Q162-L164 PolarHBondContact O-N 2.6Å; Q162-H189 PolarHBondContact O-CD2 2.83Å
163	G	94.6	Very high	96.8	Very high	41 Å²	41	72.2 Å²	72.2	42%	0.423	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	9.1	171.3	0	0	0	0	0	116.1	R165 P188	G163-R165 PolarHBondContact O-N 3.16Å; G163-P188 WeakPolarHBondContact O-CD 3.22Å; G163-P188 VanDerWaalsContact O-CG 3.23Å; G163-P188 WeakPolarHBondContact O-CG 3.38Å
164	L	97.1	Very high	96.7	Very high	12 Å²	12	76.2 Å²	76.2	6%	0.063	37%	0.37	C	S	.	.			trans	-62.7	133	176.1	-73.2	-175.1	0	0	0	111.6	I101 Y153 L157 I161 Q162 I185 D186 C187	I101-L164 HydrophobicContact CD1-CD1 4.12Å; I101-L164 HydrophobicContact CD1-CD2 4.16Å; Y153-L164 HydrophobicContact CD2-CB 4.36Å; Y153-L164 HydrophobicContact CE2-CB 3.84Å; Y153-L164 PolarHBondContact OH-O 2.92Å; L157-L164 HydrophobicContact CD2-CB 4.4Å; I161-L164 HydrophobicContact CB-CD1 3.72Å; I161-L164 HydrophobicContact CB-CG 3.91Å; I161-L164 HydrophobicContact CD1-CD1 4.27Å; I161-L164 HydrophobicContact CG2-CD1 3.98Å; I161-L164 HydrophobicContact CG2-CD2 3.88Å; I161-L164 HydrophobicContact CG2-CG 3.68Å; Q162-L164 VanDerWaalsContact C-N 3.25Å; Q162-L164 PolarHBondContact O-N 2.6Å; L164-I185 HydrophobicContact CD2-CG2 4.01Å; L164-D186 WeakPolarHBondContact CA-O 3.3Å; L164-C187 HydrophobicContact CD2-CB 4.04Å; L164-C187 WeakPolarHBondContact CD2-SG 3.24Å
165	R	98.1	Very high	96.7	Very high	128 Å²	128	74 Å²	74	48%	0.483	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139	174.9	-61	-178.3	-65.4	179.4	-1.2	110.7	G163 I167 K175 I185 D186	G163-R165 PolarHBondContact O-N 3.16Å; R165-I167 HydrophobicContact CB-CG2 4.02Å; R165-K175 VanDerWaalsContact NH2-CE 3.34Å; R165-I185 WeakPolarHBondContact O-CA 3.31Å; R165-D186 HydrophobicContact CB-CB 4.33Å; R165-D186 IonicContact CZ-OD2 3.41Å; R165-D186 PolarHBondContact N-O 3.43Å; R165-D186 IonicContact NE-OD2 3.85Å; R165-D186 PolarHBondContact NE-OD2 3.16Å; R165-D186 IonicContact NH2-OD2 2.72Å; R165-D186 PolarHBondContact NH2-OD2 2.91Å; R165-D186 PolarHBondContact O-N 3.41Å
166	L	98.3	Very high	96.7	Very high	58 Å²	58	70 Å²	70	30%	0.304	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.9	163.9	-163.4	69	0	0	0	107.6	L149 Q150 Y153 M183 I185	L149-L166 HydrophobicContact CD2-CD1 4Å; L149-L166 HydrophobicContact CG-CD1 4.38Å; Q150-L166 HydrophobicContact CG-CD2 4.23Å; Y153-L166 HydrophobicContact CD2-CB 4.44Å; Y153-L166 HydrophobicContact CE2-CB 4.43Å; L166-M183 HydrophobicContact CD1-CG 4.01Å; L166-M183 HydrophobicContact CD1-SD 3.88Å; L166-M183 HydrophobicContact CD2-SD 3.64Å; L166-M183 HydrophobicContact CG-CG 4.06Å; L166-M183 HydrophobicContact CG-SD 3.76Å; L166-I185 HydrophobicContact CD1-CG1 4.05Å
167	I	98.4	Very high	96.8	Very high	9 Å²	9	72.5 Å²	72.5	5%	0.046	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.2	-173.5	64	166.2	0	0	0	111.1	L137 R165 D171 I172 K175 M183 A184 D186	L137-I167 HydrophobicContact CD2-CD1 3.78Å; R165-I167 HydrophobicContact CB-CG2 4.02Å; I167-D171 HydrophobicContact CB-CB 3.95Å; I167-D171 HydrophobicContact CD1-CB 4.36Å; I167-D171 HydrophobicContact CG2-CB 4.43Å; I167-I172 HydrophobicContact CD1-CG1 3.85Å; I167-I172 HydrophobicContact CG1-CG1 4.06Å; I167-K175 HydrophobicContact CD1-CD 4.05Å; I167-M183 WeakPolarHBondContact O-CA 3.33Å; I167-M183 WeakPolarHBondContact O-CG 3.48Å; I167-A184 HydrophobicContact CD1-CB 4.28Å; I167-A184 HydrophobicContact CG1-CB 3.88Å; I167-A184 WeakPolarHBondContact CG1-O 3.49Å; I167-A184 PolarHBondContact N-O 3.23Å; I167-A184 PolarHBondContact O-N 3.49Å; I167-D186 HydrophobicContact CD1-CB 4.19Å; I167-D186 HydrophobicContact CG1-CB 4.44Å; I167-D186 HydrophobicContact CG2-CB 4.15Å
168	Q	97.9	Very high	96.8	Very high	103 Å²	103	72.3 Å²	72.3	48%	0.481	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	170.6	179.3	-58.5	-63.5	-20.7	0	0	111.3	E170 D171 I172	Q168-E170 VanDerWaalsContact C-N 3.27Å; Q168-E170 PolarHBondContact O-N 3.5Å; Q168-E170 VanDerWaalsContact O-N 3.13Å; Q168-D171 PolarHBondContact O-N 3.46Å; Q168-I172 WeakPolarHBondContact O-CG1 3.43Å; Q168-I172 PolarHBondContact O-N 3.33Å
169	Q	97.1	Very high	96.9	Very high	119 Å²	119	66.7 Å²	66.7	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-46.3	-43	-179	-177.5	174.9	10.1	0	0	114.8	D171 I172 K173 G181	Q169-D171 VanDerWaalsContact C-N 3.33Å; Q169-D171 PolarHBondContact O-N 3.05Å; Q169-I172 WeakPolarHBondContact O-CB 3.41Å; Q169-I172 PolarHBondContact O-N 3.15Å; Q169-K173 PolarHBondContact O-N 3.24Å; Q169-K173 VanDerWaalsContact O-N 3.1Å; Q169-G181 WeakPolarHBondContact CB-O 3.47Å; Q169-G181 WeakPolarHBondContact CG-O 3.43Å
170	E	97.3	Very high	96.9	Very high	143 Å²	143	72.5 Å²	72.5	67%	0.668	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-40.2	-179.9	-64.7	-177.5	-174	0	0	112.6	Q168 K173 K174	Q168-E170 VanDerWaalsContact C-N 3.27Å; Q168-E170 PolarHBondContact O-N 3.5Å; Q168-E170 VanDerWaalsContact O-N 3.13Å; E170-K173 PolarHBondContact O-N 3.14Å; E170-K174 WeakPolarHBondContact O-CG 3.05Å; E170-K174 PolarHBondContact O-N 3.39Å
171	D	97.8	Very high	97	Very high	62 Å²	62	71.1 Å²	71.1	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-77.8	-29.3	-179.3	-66	-37.4	0	0	0	112.1	I167 Q168 Q169 K173 K174 K175	I167-D171 HydrophobicContact CB-CB 3.95Å; I167-D171 HydrophobicContact CD1-CB 4.36Å; I167-D171 HydrophobicContact CG2-CB 4.43Å; Q168-D171 PolarHBondContact O-N 3.46Å; Q169-D171 VanDerWaalsContact C-N 3.33Å; Q169-D171 PolarHBondContact O-N 3.05Å; D171-K173 VanDerWaalsContact C-N 3.34Å; D171-K174 PolarHBondContact O-N 3.03Å; D171-K174 IonicContact OD1-NZ 2.83Å; D171-K174 PolarHBondContact OD1-NZ 2.83Å; D171-K175 PolarHBondContact O-N 3.41Å; D171-K175 VanDerWaalsContact O-N 3.11Å
172	I	98.2	Very high	97.2	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.1	-52	167.5	-62.8	169.8	0	0	0	108.8	L137 V139 I167 Q168 Q169 K174 K175 E176 C179 A184	L137-I172 HydrophobicContact CD1-CG2 4.14Å; V139-I172 HydrophobicContact CG1-CD1 4.42Å; I167-I172 HydrophobicContact CD1-CG1 3.85Å; I167-I172 HydrophobicContact CG1-CG1 4.06Å; Q168-I172 WeakPolarHBondContact O-CG1 3.43Å; Q168-I172 PolarHBondContact O-N 3.33Å; Q169-I172 WeakPolarHBondContact O-CB 3.41Å; Q169-I172 PolarHBondContact O-N 3.15Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.24Å; I172-K175 PolarHBondContact O-N 2.87Å; I172-K175 VanDerWaalsContact O-N 3.13Å; I172-E176 PolarHBondContact O-N 2.85Å; I172-C179 HydrophobicContact CG2-CB 4.17Å; I172-A184 HydrophobicContact CD1-CB 3.68Å; I172-A184 HydrophobicContact CG1-CB 3.74Å
173	K	96.8	Very high	97.5	Very high	141 Å²	141	66.9 Å²	66.9	61%	0.613	32%	0.316	S	S	*	.	H	α-helix	trans	-63.9	-33.7	-179.8	-169	176.6	-177.8	-179.5	0	112.9	Q169 E170 D171 E176 P177	Q169-K173 PolarHBondContact O-N 3.24Å; Q169-K173 VanDerWaalsContact O-N 3.1Å; E170-K173 PolarHBondContact O-N 3.14Å; D171-K173 VanDerWaalsContact C-N 3.34Å; K173-E176 CarbonylContact O-C 3.59Å; K173-P177 WeakPolarHBondContact O-CA 3.46Å
174	K	97	Very high	97.7	Very high	140 Å²	140	64.9 Å²	64.9	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-64.4	-40.3	174	-71.1	170.2	-160.1	157.7	0	111.8	E170 D171 I172	E170-K174 WeakPolarHBondContact O-CG 3.05Å; E170-K174 PolarHBondContact O-N 3.39Å; D171-K174 PolarHBondContact O-N 3.03Å; D171-K174 IonicContact OD1-NZ 2.83Å; D171-K174 PolarHBondContact OD1-NZ 2.83Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 3.24Å
175	K	96.7	Very high	97.7	Very high	72 Å²	72	64.3 Å²	64.3	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-78.3	-51.2	-179.4	-80.9	173.7	161.6	-95.2	0	112.7	L137 R165 I167 D171 I172 D186	L137-K175 HydrophobicContact CD1-CB 4.42Å; L137-K175 HydrophobicContact CD2-CD 4.19Å; R165-K175 VanDerWaalsContact NH2-CE 3.34Å; I167-K175 HydrophobicContact CD1-CD 4.05Å; D171-K175 PolarHBondContact O-N 3.41Å; D171-K175 VanDerWaalsContact O-N 3.11Å; I172-K175 PolarHBondContact O-N 2.87Å; I172-K175 VanDerWaalsContact O-N 3.13Å; K175-D186 VanDerWaalsContact CE-CG 3.43Å; K175-D186 WeakPolarHBondContact CE-OD2 3.35Å; K175-D186 IonicContact NZ-OD1 3.26Å; K175-D186 PolarHBondContact NZ-OD1 2.84Å; K175-D186 IonicContact NZ-OD2 2.74Å; K175-D186 PolarHBondContact NZ-OD2 3.27Å
176	E	97.8	Very high	97.7	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.056	27%	0.27	C	S	.	.	S	Bend	trans	-123.1	88.8	-179.5	-66.9	-63.9	166.9	0	0	109.1	L137 I172 K173 Y178 C179 K297 G298 I300	L137-E176 HydrophobicContact CD1-CB 4.18Å; L137-E176 HydrophobicContact CD1-CG 3.69Å; L137-E176 HydrophobicContact CG-CG 4.43Å; I172-E176 PolarHBondContact O-N 2.85Å; K173-E176 CarbonylContact O-C 3.59Å; E176-Y178 PolarHBondContact O-N 2.64Å; E176-C179 HydrophobicContact CB-CB 3.43Å; E176-C179 VanDerWaalsContact CB-CB 3.43Å; E176-C179 HydrophobicContact CG-CB 4.43Å; E176-C179 WeakPolarHBondContact O-CB 3.3Å; E176-C179 PolarHBondContact O-N 2.99Å; E176-K297 PolarHBondContact OE2-N 3.2Å; E176-G298 WeakPolarHBondContact OE1-CA 3.37Å; E176-G298 PolarHBondContact OE1-N 2.86Å; E176-I300 HydrophobicContact CB-CD1 4.32Å; E176-I300 HydrophobicContact CG-CD1 4.01Å; E176-I300 HydrophobicContact CG-CG1 4.13Å
177	P	97.3	Very high	97.7	Very high	52 Å²	52	55.6 Å²	55.6	34%	0.338	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	-170.9	-28.7	36.7	0	0	0	116.5	K173	K173-P177 WeakPolarHBondContact O-CA 3.46Å
178	Y	97.8	Very high	97.6	Very high	84 Å²	84	57 Å²	57	33%	0.329	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.6	179.3	-57.1	-82.6	0	0	0	112.6	E176 Y294 L295	E176-Y178 PolarHBondContact O-N 2.64Å; Y178-Y294 HydrophobicContact CE1-CE2 4.01Å; Y178-Y294 AromaticContact CE2-CD2 3.69Å; Y178-Y294 HydrophobicContact CE2-CD2 3.69Å; Y178-Y294 AromaticContact CE2-CE2 3.87Å; Y178-Y294 HydrophobicContact CE2-CE2 3.87Å; Y178-Y294 AromaticContact CZ-CD2 3.78Å; Y178-Y294 AromaticContact CZ-CE2 3.5Å; Y178-Y294 WeakPolarHBondContact OH-CE2 3.37Å; Y178-L295 HydrophobicContact CD1-CD2 3.42Å; Y178-L295 VanDerWaalsContact CD1-CD2 3.42Å; Y178-L295 HydrophobicContact CD2-CB 4.47Å; Y178-L295 HydrophobicContact CD2-CD2 3.83Å; Y178-L295 HydrophobicContact CE1-CD2 3.82Å; Y178-L295 HydrophobicContact CE2-CD2 4.19Å; Y178-L295 HydrophobicContact CG-CB 4.5Å; Y178-L295 HydrophobicContact CG-CD2 3.43Å; Y178-L295 VanDerWaalsContact CG-CD2 3.43Å
179	C	97.9	Very high	97.4	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.041	26%	0.263	C	S	.	.			trans	-85.9	132.8	176.7	-174.1	0	0	0	0	110.8	I172 E176 I300 F388	I172-C179 HydrophobicContact CG2-CB 4.17Å; E176-C179 HydrophobicContact CB-CB 3.43Å; E176-C179 VanDerWaalsContact CB-CB 3.43Å; E176-C179 HydrophobicContact CG-CB 4.43Å; E176-C179 WeakPolarHBondContact O-CB 3.3Å; E176-C179 PolarHBondContact O-N 2.99Å; C179-I300 HydrophobicContact CB-CD1 4.06Å; C179-F388 CarbonylContact C-O 3.6Å; C179-F388 VanDerWaalsContact CA-O 3.27Å; C179-F388 WeakPolarHBondContact CA-O 3.18Å
180	R	96.8	Very high	97.4	Very high	144 Å²	144	50.8 Å²	50.8	54%	0.543	24%	0.236	S	C	.	.			trans	-106.4	146.3	169.8	-60	-166.7	-174.6	172.7	6.9	110.4	F388 P390 E391	R180-F388 PolarHBondContact N-O 3.33Å; R180-P390 HydrophobicContact CG-CG 4.16Å; R180-E391 IonicContact NH2-OE1 3.71Å
181	G	97.4	Very high	97.4	Very high	7 Å²	7	44 Å²	44	7%	0.072	21%	0.205	C	C	.	.			trans	-178.2	155.6	177	0	0	0	0	0	110.9	A140 Q169	A140-G181 CarbonylContact O-C 3.6Å; A140-G181 WeakPolarHBondContact O-CA 3.19Å; Q169-G181 WeakPolarHBondContact CB-O 3.47Å; Q169-G181 WeakPolarHBondContact CG-O 3.43Å
182	L	98.1	Very high	97.4	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.277	19%	0.19	S	C	.	.	S	Bend	trans	-80.4	-41.7	175.5	-57.2	176	0	0	0	110.5	A140 E142 Q143 I146	A140-L182 PolarHBondContact O-N 2.91Å; E142-L182 VanDerWaalsContact C-CD1 3.46Å; Q143-L182 HydrophobicContact CG-CD1 4Å; I146-L182 HydrophobicContact CD1-CB 4.33Å
183	M	98.5	Very high	97.5	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.089	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	152.1	-179.3	-168.7	174.3	-66.4	0	0	109.4	A140 I146 L149 L166 I167	A140-M183 PolarHBondContact N-O 2.94Å; I146-M183 HydrophobicContact CD1-CB 4.43Å; I146-M183 HydrophobicContact CD1-CE 4.38Å; I146-M183 HydrophobicContact CG2-CE 4.23Å; I146-M183 HydrophobicContact CG2-SD 4.07Å; L149-M183 HydrophobicContact CD2-CB 3.88Å; L149-M183 HydrophobicContact CD2-CG 3.76Å; L149-M183 HydrophobicContact CD2-SD 4.28Å; L166-M183 HydrophobicContact CD1-CG 4.01Å; L166-M183 HydrophobicContact CD1-SD 3.88Å; L166-M183 HydrophobicContact CD2-SD 3.64Å; L166-M183 HydrophobicContact CG-CG 4.06Å; L166-M183 HydrophobicContact CG-SD 3.76Å; I167-M183 WeakPolarHBondContact O-CA 3.33Å; I167-M183 WeakPolarHBondContact O-CG 3.48Å
184	A	98.6	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.9	175.1	0	0	0	0	0	113.2	I138 V139 I167 I172	I138-A184 CarbonylContact O-C 3.58Å; I138-A184 WeakPolarHBondContact O-CA 3.48Å; I138-A184 VanDerWaalsContact O-CB 3.28Å; I138-A184 WeakPolarHBondContact O-CB 3.39Å; V139-A184 HydrophobicContact CB-CB 4.43Å; V139-A184 HydrophobicContact CG2-CB 4.02Å; I167-A184 HydrophobicContact CD1-CB 4.28Å; I167-A184 HydrophobicContact CG1-CB 3.88Å; I167-A184 WeakPolarHBondContact CG1-O 3.49Å; I167-A184 PolarHBondContact N-O 3.23Å; I167-A184 PolarHBondContact O-N 3.49Å; I172-A184 HydrophobicContact CD1-CB 3.68Å; I172-A184 HydrophobicContact CG1-CB 3.74Å
185	I	98.6	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.6	161.4	-57.9	162.9	0	0	0	108.2	I101 L137 I138 L149 L152 Y153 L164 R165 L166	I101-I185 HydrophobicContact CD1-CD1 3.98Å; I101-I185 HydrophobicContact CD1-CG2 3.79Å; L137-I185 WeakPolarHBondContact CA-O 3.44Å; I138-I185 HydrophobicContact CB-CB 4.33Å; I138-I185 PolarHBondContact N-O 3.48Å; I138-I185 PolarHBondContact O-N 2.88Å; L149-I185 HydrophobicContact CD1-CD1 3.73Å; L149-I185 HydrophobicContact CD1-CG1 3.72Å; L149-I185 HydrophobicContact CG-CD1 4.07Å; L149-I185 HydrophobicContact CG-CG1 3.88Å; L149-I185 WeakPolarHBondContact O-CD1 3.49Å; L152-I185 HydrophobicContact CB-CD1 4.02Å; L152-I185 HydrophobicContact CD2-CD1 4.07Å; L152-I185 HydrophobicContact CG-CD1 3.96Å; Y153-I185 HydrophobicContact CD2-CG1 4.38Å; Y153-I185 HydrophobicContact CD2-CG2 4.18Å; L164-I185 HydrophobicContact CD2-CG2 4.01Å; R165-I185 WeakPolarHBondContact O-CA 3.31Å; L166-I185 HydrophobicContact CD1-CG1 4.05Å
186	D	98.4	Very high	97.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.9	169.5	179.2	35.6	0	0	0	110.5	L137 L164 R165 I167 K175 P188	L137-D186 HydrophobicContact CD2-CB 4.01Å; L164-D186 WeakPolarHBondContact CA-O 3.3Å; R165-D186 HydrophobicContact CB-CB 4.33Å; R165-D186 IonicContact CZ-OD2 3.41Å; R165-D186 PolarHBondContact N-O 3.43Å; R165-D186 IonicContact NE-OD2 3.85Å; R165-D186 PolarHBondContact NE-OD2 3.16Å; R165-D186 IonicContact NH2-OD2 2.72Å; R165-D186 PolarHBondContact NH2-OD2 2.91Å; R165-D186 PolarHBondContact O-N 3.41Å; I167-D186 HydrophobicContact CD1-CB 4.19Å; I167-D186 HydrophobicContact CG1-CB 4.44Å; I167-D186 HydrophobicContact CG2-CB 4.15Å; K175-D186 VanDerWaalsContact CE-CG 3.43Å; K175-D186 WeakPolarHBondContact CE-OD2 3.35Å; K175-D186 IonicContact NZ-OD1 3.26Å; K175-D186 PolarHBondContact NZ-OD1 2.84Å; K175-D186 IonicContact NZ-OD2 2.74Å; K175-D186 PolarHBondContact NZ-OD2 3.27Å; D186-P188 VanDerWaalsContact O-CD 3.29Å; D186-P188 WeakPolarHBondContact O-CD 3.49Å
187	C	97.6	Very high	97.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	83.6	174	-56.7	0	0	0	0	109.4	G135 K136 L164 H189 T190	G135-C187 CarbonylContact C-O 3.6Å; G135-C187 WeakPolarHBondContact CA-O 3.4Å; K136-C187 HydrophobicContact CB-CB 4.12Å; K136-C187 PolarHBondContact N-O 3.48Å; K136-C187 PolarHBondContact O-N 3.41Å; L164-C187 HydrophobicContact CD2-CB 4.04Å; L164-C187 WeakPolarHBondContact CD2-SG 3.24Å; C187-H189 VanDerWaalsContact C-N 3.28Å; C187-H189 PolarHBondContact O-N 2.94Å; C187-T190 WeakPolarHBondContact CB-OG1 3.34Å; C187-T190 PolarHBondContact O-N 3.38Å; C187-T190 PolarHBondContact O-OG1 3.34Å
188	P	95.6	Very high	97.8	Very high	37 Å²	37	32.2 Å²	32.2	24%	0.24	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28	-168.3	26.3	-35.9	0	0	0	113.8	G163 D186	G163-P188 WeakPolarHBondContact O-CD 3.22Å; G163-P188 VanDerWaalsContact O-CG 3.23Å; G163-P188 WeakPolarHBondContact O-CG 3.38Å; D186-P188 VanDerWaalsContact O-CD 3.29Å; D186-P188 WeakPolarHBondContact O-CD 3.49Å
189	H	94.1	Very high	97.8	Very high	91 Å²	91	28.2 Å²	28.2	42%	0.421	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.7	-178.4	-58.9	-57.8	0	0	0	114.3	Y121 Q162 C187 G191	Y121-H189 PolarHBondContact OH-O 2.88Å; Q162-H189 PolarHBondContact O-CD2 2.83Å; C187-H189 VanDerWaalsContact C-N 3.28Å; C187-H189 PolarHBondContact O-N 2.94Å; H189-G191 PolarHBondContact O-N 2.9Å
190	T	97.4	Very high	97.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.148	C	C	.	.			trans	-65.7	137.3	168.8	-56.7	0	0	0	0	108.3	V96 I97 C134 G135 K136 C187	V96-T190 HydrophobicContact CG1-CG2 3.82Å; I97-T190 WeakPolarHBondContact O-CG2 3.27Å; C134-T190 PolarHBondContact N-O 3.24Å; G135-T190 VanDerWaalsContact CA-O 3.3Å; G135-T190 WeakPolarHBondContact CA-O 3.37Å; G135-T190 PolarHBondContact N-O 2.91Å; K136-T190 HydrophobicContact CB-CG2 3.8Å; K136-T190 HydrophobicContact CD-CG2 4.37Å; C187-T190 WeakPolarHBondContact CB-OG1 3.34Å; C187-T190 PolarHBondContact O-N 3.38Å; C187-T190 PolarHBondContact O-OG1 3.34Å
191	G	97.6	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	-169.6	179.9	0	0	0	0	0	113.5	V96 I97 Y121 K132 H189	V96-G191 CarbonylContact C-O 3.55Å; V96-G191 WeakPolarHBondContact CA-O 3.49Å; I97-G191 PolarHBondContact N-O 3.39Å; I97-G191 PolarHBondContact O-N 3.35Å; Y121-G191 WeakPolarHBondContact OH-CA 3.49Å; Y121-G191 PolarHBondContact OH-N 3.37Å; K132-G191 CarbonylContact O-C 3.58Å; K132-G191 WeakPolarHBondContact O-CA 3.27Å; H189-G191 PolarHBondContact O-N 2.9Å
192	I	98.2	Very high	98	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.5	179.7	56.4	169.1	0	0	0	110.4	G95 V96 Y131 K132 P317 M319	G95-I192 CarbonylContact O-C 3.51Å; G95-I192 VanDerWaalsContact O-CA 3.23Å; G95-I192 WeakPolarHBondContact O-CA 3.36Å; V96-I192 HydrophobicContact CG2-CG2 4.38Å; Y131-I192 WeakPolarHBondContact CA-O 3.41Å; Y131-I192 WeakPolarHBondContact CB-O 3.41Å; K132-I192 HydrophobicContact CB-CD1 4.3Å; K132-I192 HydrophobicContact CB-CG1 3.86Å; K132-I192 PolarHBondContact N-O 3.32Å; K132-I192 PolarHBondContact O-N 3.07Å; I192-P317 HydrophobicContact CD1-CB 4.22Å; I192-P317 WeakPolarHBondContact CD1-O 3.03Å; I192-P317 WeakPolarHBondContact CG2-O 3.48Å; I192-M319 HydrophobicContact CB-SD 4.47Å; I192-M319 HydrophobicContact CD1-SD 3.95Å; I192-M319 HydrophobicContact CG1-SD 3.75Å
193	V	98.6	Very high	98.1	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	159.3	178.1	66.1	0	0	0	0	109.9	G95 I97 L120 I129 Y195 V198	G95-V193 VanDerWaalsContact CA-O 3.27Å; G95-V193 WeakPolarHBondContact CA-O 3.35Å; G95-V193 PolarHBondContact O-N 3.08Å; I97-V193 HydrophobicContact CD1-CB 4.03Å; I97-V193 HydrophobicContact CD1-CG1 3.92Å; I97-V193 HydrophobicContact CG1-CB 4.32Å; I97-V193 HydrophobicContact CG1-CG1 3.75Å; L120-V193 HydrophobicContact CD2-CG1 4.39Å; I129-V193 HydrophobicContact CG2-CG2 4.03Å; V193-Y195 HydrophobicContact CG1-CD1 3.95Å; V193-Y195 HydrophobicContact CG1-CD2 4.19Å; V193-Y195 HydrophobicContact CG1-CE1 3.79Å; V193-Y195 HydrophobicContact CG1-CE2 4.04Å; V193-Y195 HydrophobicContact CG1-CG 4.16Å; V193-Y195 PolarHBondContact O-N 2.67Å; V193-V198 HydrophobicContact CG1-CG2 4.46Å; V193-V198 HydrophobicContact CG2-CG2 3.69Å
194	D	98.1	Very high	98.1	Very high	67 Å²	67	26.4 Å²	26.4	36%	0.358	13%	0.129	S	C	.	.			trans	-82.2	101.8	164.6	-173	-21.8	0	0	0	110.1	R196 Q197 V198	D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 WeakPolarHBondContact OD1-CA 3.27Å; D194-R196 VanDerWaalsContact OD1-CB 3.25Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 2.89Å; D194-Q197 HydrophobicContact CB-CB 3.94Å; D194-Q197 WeakPolarHBondContact O-CB 3.36Å; D194-Q197 PolarHBondContact O-N 2.84Å; D194-Q197 VanDerWaalsContact O-N 3.13Å; D194-Q197 PolarHBondContact OD1-N 3.27Å; D194-V198 PolarHBondContact O-N 2.79Å; D194-V198 VanDerWaalsContact O-N 3.08Å
195	Y	98.3	Very high	98.1	Very high	4 Å²	4	27 Å²	27	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-21.6	178.9	-76.9	-67.2	0	0	0	114.2	I58 N93 V96 I97 L120 V193 A199 A443 T444	I58-Y195 HydrophobicContact CD1-CD1 3.67Å; I58-Y195 HydrophobicContact CD1-CE1 4.46Å; I58-Y195 HydrophobicContact CD1-CG 4.41Å; N93-Y195 VanDerWaalsContact OD1-CD2 3.27Å; N93-Y195 WeakPolarHBondContact OD1-CD2 3.41Å; V96-Y195 WeakPolarHBondContact O-CE2 3.46Å; V96-Y195 PolarHBondContact O-OH 3.38Å; I97-Y195 WeakPolarHBondContact CA-OH 3.3Å; L120-Y195 HydrophobicContact CD2-CE1 3.6Å; V193-Y195 HydrophobicContact CG1-CD1 3.95Å; V193-Y195 HydrophobicContact CG1-CD2 4.19Å; V193-Y195 HydrophobicContact CG1-CE1 3.79Å; V193-Y195 HydrophobicContact CG1-CE2 4.04Å; V193-Y195 HydrophobicContact CG1-CG 4.16Å; V193-Y195 PolarHBondContact O-N 2.67Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.25Å; Y195-A199 PolarHBondContact O-N 2.85Å; Y195-A443 HydrophobicContact CD1-CB 3.68Å; Y195-A443 HydrophobicContact CD2-CB 3.94Å; Y195-A443 HydrophobicContact CE1-CB 3.6Å; Y195-A443 WeakPolarHBondContact CE1-O 3.47Å; Y195-A443 HydrophobicContact CE2-CB 3.86Å; Y195-A443 HydrophobicContact CG-CB 3.83Å; Y195-T444 WeakPolarHBondContact OH-CA 3.35Å; Y195-T444 PolarHBondContact OH-N 3.26Å; Y195-T444 PolarHBondContact OH-OG1 2.86Å
196	R	98	Very high	98.1	Very high	72 Å²	72	27 Å²	27	27%	0.272	13%	0.132	S	C	.	.	H	α-helix	trans	-67.8	-43.8	170.9	-177.9	-176.7	175.3	77.9	3.4	109.3	L85 A86 V87 D194 V198 A199 L200	L85-R196 PolarHBondContact O-NH1 2.98Å; L85-R196 PolarHBondContact O-NH2 2.83Å; A86-R196 HydrophobicContact CB-CG 4.28Å; A86-R196 PolarHBondContact O-NH1 3Å; V87-R196 VanDerWaalsContact CG1-NH1 3.26Å; D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 WeakPolarHBondContact OD1-CA 3.27Å; D194-R196 VanDerWaalsContact OD1-CB 3.25Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 2.89Å; R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 2.98Å; R196-A199 PolarHBondContact O-N 3.18Å; R196-L200 HydrophobicContact CG-CD1 4.11Å; R196-L200 HydrophobicContact CG-CG 4.43Å; R196-L200 WeakPolarHBondContact O-CB 3.48Å; R196-L200 VanDerWaalsContact O-CG 3.26Å; R196-L200 WeakPolarHBondContact O-CG 3.37Å; R196-L200 PolarHBondContact O-N 2.87Å
197	Q	98.5	Very high	98.1	Very high	84 Å²	84	31.7 Å²	31.7	39%	0.393	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-43.3	175.2	-170.2	178.7	27.7	0	0	111.8	I129 D194 L200 S201	I129-Q197 HydrophobicContact CG2-CG 4.26Å; D194-Q197 HydrophobicContact CB-CB 3.94Å; D194-Q197 WeakPolarHBondContact O-CB 3.36Å; D194-Q197 PolarHBondContact O-N 2.84Å; D194-Q197 VanDerWaalsContact O-N 3.13Å; D194-Q197 PolarHBondContact OD1-N 3.27Å; Q197-L200 PolarHBondContact O-N 3.48Å; Q197-S201 WeakPolarHBondContact O-CB 3.38Å; Q197-S201 PolarHBondContact O-N 3.49Å
198	V	98.8	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-48.8	174.8	175.2	0	0	0	0	111.3	I58 L120 I129 V193 D194 R196 L200 S201 F202	I58-V198 HydrophobicContact CD1-CG1 4.16Å; L120-V198 HydrophobicContact CD1-CG1 3.75Å; L120-V198 HydrophobicContact CD1-CG2 4.15Å; I129-V198 HydrophobicContact CD1-CG2 4.32Å; I129-V198 HydrophobicContact CG2-CG2 4.17Å; V193-V198 HydrophobicContact CG1-CG2 4.46Å; V193-V198 HydrophobicContact CG2-CG2 3.69Å; D194-V198 PolarHBondContact O-N 2.79Å; D194-V198 VanDerWaalsContact O-N 3.08Å; R196-V198 VanDerWaalsContact C-N 3.34Å; R196-V198 PolarHBondContact O-N 2.98Å; V198-L200 PolarHBondContact O-N 2.7Å; V198-S201 WeakPolarHBondContact O-CB 3.48Å; V198-S201 PolarHBondContact O-N 3.42Å; V198-F202 HydrophobicContact CG1-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CE1 4.04Å; V198-F202 HydrophobicContact CG1-CE2 3.69Å; V198-F202 HydrophobicContact CG1-CZ 3.46Å; V198-F202 VanDerWaalsContact CG1-CZ 3.46Å; V198-F202 PolarHBondContact O-N 3.03Å
199	A	98.8	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-41.3	-179.6	0	0	0	0	0	112.5	I58 L61 A86 T90 Y195 R196 S201 F202 A203	I58-A199 HydrophobicContact CB-CB 4.07Å; I58-A199 HydrophobicContact CG1-CB 4.09Å; L61-A199 HydrophobicContact CD1-CB 4.1Å; L61-A199 WeakPolarHBondContact CD1-O 3.27Å; A86-A199 HydrophobicContact CB-CB 3.78Å; T90-A199 HydrophobicContact CG2-CB 3.75Å; Y195-A199 VanDerWaalsContact O-CB 3.31Å; Y195-A199 WeakPolarHBondContact O-CB 3.25Å; Y195-A199 PolarHBondContact O-N 2.85Å; R196-A199 PolarHBondContact O-N 3.18Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 2.96Å; A199-F202 WeakPolarHBondContact O-CB 3.41Å; A199-F202 PolarHBondContact O-N 3.29Å; A199-F202 VanDerWaalsContact O-N 3.15Å; A199-A203 PolarHBondContact O-N 2.94Å
200	L	98.8	Very high	98.4	Very high	72 Å²	72	36.7 Å²	36.7	38%	0.377	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-36.1	174.8	-68.8	174.7	0	0	0	111.9	L85 R196 Q197 V198 A203 Q204	L85-L200 HydrophobicContact CB-CD2 3.9Å; L85-L200 HydrophobicContact CD1-CD2 4.31Å; R196-L200 HydrophobicContact CG-CD1 4.11Å; R196-L200 HydrophobicContact CG-CG 4.43Å; R196-L200 WeakPolarHBondContact O-CB 3.48Å; R196-L200 VanDerWaalsContact O-CG 3.26Å; R196-L200 WeakPolarHBondContact O-CG 3.37Å; R196-L200 PolarHBondContact O-N 2.87Å; Q197-L200 PolarHBondContact O-N 3.48Å; V198-L200 PolarHBondContact O-N 2.7Å; L200-A203 WeakPolarHBondContact O-CB 3.47Å; L200-A203 PolarHBondContact O-N 2.88Å; L200-Q204 PolarHBondContact O-N 3.37Å
201	S	98.9	Very high	98.5	Very high	12 Å²	12	37 Å²	37	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-36.9	172.4	-179.3	0	0	0	0	112.1	Y123 Q197 V198 A199 A203 Q204 D205	Y123-S201 PolarHBondContact OH-O 3.36Å; Y123-S201 PolarHBondContact OH-OG 3.01Å; Q197-S201 WeakPolarHBondContact O-CB 3.38Å; Q197-S201 PolarHBondContact O-N 3.49Å; V198-S201 WeakPolarHBondContact O-CB 3.48Å; V198-S201 PolarHBondContact O-N 3.42Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 2.96Å; S201-A203 VanDerWaalsContact C-N 3.32Å; S201-A203 PolarHBondContact O-N 2.98Å; S201-Q204 PolarHBondContact O-N 2.95Å; S201-D205 PolarHBondContact O-N 3.3Å
202	F	98.9	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-39.2	171.6	-62.5	-27.5	0	0	0	112.5	I58 L61 A62 Y123 V198 A199 Q204 D205 F206 L447	I58-F202 HydrophobicContact CD1-CE2 4.22Å; I58-F202 HydrophobicContact CG1-CD2 4.09Å; I58-F202 HydrophobicContact CG1-CE2 3.77Å; L61-F202 HydrophobicContact CB-CB 4.11Å; A62-F202 HydrophobicContact CB-CD2 3.8Å; A62-F202 HydrophobicContact CB-CE2 3.83Å; Y123-F202 AromaticContact CD1-CE1 3.71Å; Y123-F202 HydrophobicContact CD1-CE1 3.71Å; Y123-F202 HydrophobicContact CD1-CZ 4.45Å; Y123-F202 HydrophobicContact CD2-CE1 4.08Å; Y123-F202 AromaticContact CE1-CD1 3.74Å; Y123-F202 HydrophobicContact CE1-CD1 3.74Å; Y123-F202 AromaticContact CE1-CE1 3.37Å; Y123-F202 HydrophobicContact CE1-CE1 3.37Å; Y123-F202 HydrophobicContact CE1-CZ 4.37Å; Y123-F202 AromaticContact CE2-CD1 3.95Å; Y123-F202 HydrophobicContact CE2-CD1 3.95Å; Y123-F202 AromaticContact CE2-CE1 3.75Å; Y123-F202 HydrophobicContact CE2-CE1 3.75Å; Y123-F202 HydrophobicContact CG-CE1 4.05Å; Y123-F202 AromaticContact CZ-CD1 3.41Å; Y123-F202 VanDerWaalsContact CZ-CD1 3.41Å; Y123-F202 AromaticContact CZ-CE1 3.39Å; Y123-F202 WeakPolarHBondContact OH-CD1 3.38Å; V198-F202 HydrophobicContact CG1-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CE1 4.04Å; V198-F202 HydrophobicContact CG1-CE2 3.69Å; V198-F202 HydrophobicContact CG1-CZ 3.46Å; V198-F202 VanDerWaalsContact CG1-CZ 3.46Å; V198-F202 PolarHBondContact O-N 3.03Å; A199-F202 WeakPolarHBondContact O-CB 3.41Å; A199-F202 PolarHBondContact O-N 3.29Å; A199-F202 VanDerWaalsContact O-N 3.15Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; F202-D205 PolarHBondContact O-N 3.25Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 PolarHBondContact O-N 3.22Å; F202-L447 HydrophobicContact CE1-CD1 4.37Å; F202-L447 HydrophobicContact CE1-CD2 3.66Å; F202-L447 HydrophobicContact CE1-CG 4.1Å; F202-L447 HydrophobicContact CZ-CD1 4.22Å; F202-L447 HydrophobicContact CZ-CD2 3.71Å; F202-L447 HydrophobicContact CZ-CG 3.74Å
203	A	98.9	Very high	98.5	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-42.5	175.1	0	0	0	0	0	111.5	L61 L85 A199 L200 S201 F206 Q207	L61-A203 HydrophobicContact CD1-CB 4.25Å; L61-A203 HydrophobicContact CD2-CB 3.94Å; L85-A203 HydrophobicContact CD1-CB 3.51Å; A199-A203 PolarHBondContact O-N 2.94Å; L200-A203 WeakPolarHBondContact O-CB 3.47Å; L200-A203 PolarHBondContact O-N 2.88Å; S201-A203 VanDerWaalsContact C-N 3.32Å; S201-A203 PolarHBondContact O-N 2.98Å; A203-F206 WeakPolarHBondContact O-CB 3.33Å; A203-F206 PolarHBondContact O-N 3.2Å; A203-Q207 WeakPolarHBondContact O-CB 3.41Å; A203-Q207 VanDerWaalsContact O-CG 3.3Å; A203-Q207 WeakPolarHBondContact O-CG 3.33Å; A203-Q207 PolarHBondContact O-N 3.41Å
204	Q	98.8	Very high	98.5	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-50.6	174.9	-178.6	179.4	-4.8	0	0	111.3	L200 S201 F202 F206 Q207 E208	L200-Q204 PolarHBondContact O-N 3.37Å; S201-Q204 PolarHBondContact O-N 2.95Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-F206 VanDerWaalsContact C-N 3.25Å; Q204-F206 PolarHBondContact O-N 3.28Å; Q204-Q207 PolarHBondContact O-N 2.66Å; Q204-E208 HydrophobicContact CG-CG 4.28Å; Q204-E208 VanDerWaalsContact CG-OE1 3.28Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.34Å; Q204-E208 PolarHBondContact NE2-OE1 3.04Å; Q204-E208 WeakPolarHBondContact O-CB 3.49Å; Q204-E208 WeakPolarHBondContact O-CG 2.75Å; Q204-E208 PolarHBondContact O-N 2.8Å
205	D	98.8	Very high	98.5	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.064	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-42.1	176.6	-78.3	18.1	0	0	0	111.9	R65 Y123 K127 S201 F202 A209	R65-D205 HydrophobicContact CG-CB 3.99Å; R65-D205 IonicContact CZ-OD2 3.23Å; R65-D205 IonicContact NE-OD2 3.66Å; R65-D205 PolarHBondContact NE-OD2 3.4Å; R65-D205 IonicContact NH2-OD2 3.12Å; R65-D205 PolarHBondContact NH2-OD2 2.92Å; Y123-D205 PolarHBondContact OH-OD2 2.91Å; K127-D205 WeakPolarHBondContact CE-OD1 3.39Å; K127-D205 WeakPolarHBondContact CE-OD2 3.47Å; K127-D205 IonicContact NZ-OD1 3.67Å; K127-D205 PolarHBondContact NZ-OD1 3.07Å; K127-D205 IonicContact NZ-OD2 2.73Å; K127-D205 PolarHBondContact NZ-OD2 3.44Å; K127-D205 VanDerWaalsContact NZ-OD2 3.16Å; S201-D205 PolarHBondContact O-N 3.3Å; F202-D205 PolarHBondContact O-N 3.25Å; D205-A209 WeakPolarHBondContact O-CB 3.3Å; D205-A209 PolarHBondContact O-N 3.05Å; D205-A209 VanDerWaalsContact O-N 3.15Å
206	F	98.8	Very high	98.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-45	177.7	169.3	-110.2	0	0	0	112.3	A64 R65 I68 I76 V78 F202 A203 Q204 A209 G210 G211 S212 V213	A64-F206 HydrophobicContact CB-CD1 4.48Å; A64-F206 HydrophobicContact CB-CD2 3.77Å; A64-F206 HydrophobicContact CB-CE1 4.47Å; A64-F206 HydrophobicContact CB-CE2 3.79Å; A64-F206 HydrophobicContact CB-CG 4.13Å; A64-F206 HydrophobicContact CB-CZ 4.14Å; A64-F206 WeakPolarHBondContact O-CD2 3.41Å; R65-F206 HydrophobicContact CB-CB 4.39Å; I68-F206 HydrophobicContact CB-CD2 3.98Å; I68-F206 HydrophobicContact CB-CE2 4.11Å; I68-F206 HydrophobicContact CD1-CD2 4.01Å; I68-F206 HydrophobicContact CD1-CE2 3.84Å; I68-F206 HydrophobicContact CG2-CD2 3.64Å; I68-F206 HydrophobicContact CG2-CE2 4.29Å; I76-F206 HydrophobicContact CB-CE2 3.9Å; I76-F206 HydrophobicContact CB-CZ 4.17Å; I76-F206 HydrophobicContact CG2-CE2 3.68Å; I76-F206 HydrophobicContact CG2-CZ 3.88Å; I76-F206 WeakPolarHBondContact O-CZ 3.37Å; V78-F206 HydrophobicContact CB-CE1 4.4Å; V78-F206 HydrophobicContact CG2-CD1 4.25Å; V78-F206 HydrophobicContact CG2-CE1 3.62Å; V78-F206 HydrophobicContact CG2-CZ 3.89Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 PolarHBondContact O-N 3.22Å; A203-F206 WeakPolarHBondContact O-CB 3.33Å; A203-F206 PolarHBondContact O-N 3.2Å; Q204-F206 VanDerWaalsContact C-N 3.25Å; Q204-F206 PolarHBondContact O-N 3.28Å; F206-A209 PolarHBondContact O-N 2.99Å; F206-G210 PolarHBondContact O-N 2.84Å; F206-G211 WeakPolarHBondContact O-CA 3.27Å; F206-G211 PolarHBondContact O-N 2.9Å; F206-S212 WeakPolarHBondContact CE1-O 3.39Å; F206-V213 HydrophobicContact CD1-CG2 3.93Å; F206-V213 HydrophobicContact CE1-CG2 3.91Å
207	Q	98.6	Very high	98.5	Very high	102 Å²	102	40.7 Å²	40.7	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-69.7	-38.7	179.2	-69.8	179	-75.7	0	0	112.2	A203 Q204 A209 G210 V213	A203-Q207 WeakPolarHBondContact O-CB 3.41Å; A203-Q207 VanDerWaalsContact O-CG 3.3Å; A203-Q207 WeakPolarHBondContact O-CG 3.33Å; A203-Q207 PolarHBondContact O-N 3.41Å; Q204-Q207 PolarHBondContact O-N 2.66Å; Q207-A209 PolarHBondContact O-N 3.45Å; Q207-G210 PolarHBondContact O-N 2.65Å; Q207-V213 HydrophobicContact CG-CG2 3.94Å
208	E	98.4	Very high	98.5	Very high	132 Å²	132	40.9 Å²	40.9	62%	0.617	23%	0.233	S	C	*	.	H	α-helix	trans	-61.3	-32.1	173.8	-74.9	175.3	-177.9	0	0	112	Q204 G210	Q204-E208 HydrophobicContact CG-CG 4.28Å; Q204-E208 VanDerWaalsContact CG-OE1 3.28Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.34Å; Q204-E208 PolarHBondContact NE2-OE1 3.04Å; Q204-E208 WeakPolarHBondContact O-CB 3.49Å; Q204-E208 WeakPolarHBondContact O-CG 2.75Å; Q204-E208 PolarHBondContact O-N 2.8Å; E208-G210 PolarHBondContact O-N 3.38Å
209	A	98.2	Very high	98.5	Very high	42 Å²	42	41.6 Å²	41.6	35%	0.347	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.1	173	0	0	0	0	0	114.1	I68 L69 D205 F206 Q207	I68-A209 HydrophobicContact CD1-CB 4.06Å; I68-A209 WeakPolarHBondContact CD1-O 3.18Å; I68-A209 HydrophobicContact CG1-CB 4.08Å; I68-A209 HydrophobicContact CG2-CB 3.66Å; L69-A209 HydrophobicContact CD2-CB 4.44Å; D205-A209 WeakPolarHBondContact O-CB 3.3Å; D205-A209 PolarHBondContact O-N 3.05Å; D205-A209 VanDerWaalsContact O-N 3.15Å; F206-A209 PolarHBondContact O-N 2.99Å; Q207-A209 PolarHBondContact O-N 3.45Å
210	G	97.9	Very high	98.4	Very high	60 Å²	60	48.1 Å²	48.1	62%	0.619	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	6.2	177.4	0	0	0	0	0	115.2	F206 Q207 E208	F206-G210 PolarHBondContact O-N 2.84Å; Q207-G210 PolarHBondContact O-N 2.65Å; E208-G210 PolarHBondContact O-N 3.38Å
211	G	98.3	Very high	98.3	Very high	8 Å²	8	47.4 Å²	47.4	8%	0.082	26%	0.262	C	S	.	.			trans	-72.2	150.6	178.6	0	0	0	0	0	113.1	I68 F206	I68-G211 VanDerWaalsContact CD1-CA 3.44Å; F206-G211 WeakPolarHBondContact O-CA 3.27Å; F206-G211 PolarHBondContact O-N 2.9Å
212	S	98.4	Very high	98.1	Very high	28 Å²	28	47 Å²	47	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.5	178.8	-66.7	0	0	0	0	111.7	I76 G77 V78 F206	I76-S212 PolarHBondContact O-N 2.9Å; G77-S212 CarbonylContact C-O 3.17Å; G77-S212 VanDerWaalsContact CA-O 3.31Å; G77-S212 WeakPolarHBondContact CA-O 3.32Å; V78-S212 PolarHBondContact N-O 3.45Å; F206-S212 WeakPolarHBondContact CE1-O 3.39Å
213	V	98.5	Very high	97.8	Very high	32 Å²	32	49.5 Å²	49.5	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.3	175.2	179.2	0	0	0	0	108.9	V78 L85 F206 Q207 T215	V78-V213 HydrophobicContact CB-CG2 4.33Å; L85-V213 HydrophobicContact CD1-CG1 4.23Å; L85-V213 HydrophobicContact CD2-CG1 3.84Å; L85-V213 HydrophobicContact CG-CG1 4.4Å; F206-V213 HydrophobicContact CD1-CG2 3.93Å; F206-V213 HydrophobicContact CE1-CG2 3.91Å; Q207-V213 HydrophobicContact CG-CG2 3.94Å; V213-T215 HydrophobicContact CG1-CG2 4.23Å
214	L	98.2	Very high	97.4	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.7	178.5	-65	81.4	0	0	0	108.6	F49 V78 L79 E80 I250	F49-L214 HydrophobicContact CE2-CD1 4.18Å; F49-L214 HydrophobicContact CZ-CD1 3.94Å; V78-L214 PolarHBondContact O-N 3.17Å; L79-L214 HydrophobicContact CD2-CB 3.89Å; L79-L214 HydrophobicContact CD2-CD1 4.28Å; L79-L214 HydrophobicContact CD2-CD2 4.25Å; L79-L214 HydrophobicContact CD2-CG 4.37Å; E80-L214 PolarHBondContact N-O 2.9Å; L214-I250 HydrophobicContact CD2-CD1 3.83Å; L214-I250 HydrophobicContact CD2-CG1 4.47Å
215	T	98.5	Very high	96.8	Very high	54 Å²	54	48.4 Å²	48.4	33%	0.331	27%	0.269	S	S	.	.			trans	-89.5	168.9	175.5	57.8	0	0	0	0	111	E80 E82 K83 V213 F217	E80-T215 HydrophobicContact CB-CG2 4.39Å; E80-T215 CarbonylContact O-C 3.55Å; E80-T215 VanDerWaalsContact O-C 3.29Å; E80-T215 VanDerWaalsContact O-CA 3.31Å; E80-T215 WeakPolarHBondContact O-CA 3.48Å; E82-T215 VanDerWaalsContact O-CB 3.25Å; E82-T215 WeakPolarHBondContact O-CB 3.45Å; K83-T215 WeakPolarHBondContact O-CB 3.42Å; K83-T215 WeakPolarHBondContact O-CG2 3.44Å; K83-T215 PolarHBondContact O-OG1 3.17Å; V213-T215 HydrophobicContact CG1-CG2 4.23Å; T215-F217 PolarHBondContact O-N 3.24Å
216	N	98.1	Very high	95.8	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	30%	0.302	S	S	.	.	S	Bend	trans	58.7	26.1	-174.2	-49.7	-86.3	0	0	0	113.8	E80 K81 E82 K246	E80-N216 PolarHBondContact O-N 3.48Å; K81-N216 VanDerWaalsContact O-CA 3.31Å; K81-N216 WeakPolarHBondContact O-CA 3.32Å; E82-N216 PolarHBondContact O-N 2.75Å; N216-K246 PolarHBondContact O-NZ 2.98Å
217	F	98	Very high	94	Very high	7 Å²	7	65 Å²	65	3%	0.031	34%	0.344	C	S	.	.			trans	-113.8	82.8	-179.7	-161.1	-77	0	0	0	109.9	L79 E80 T215 V219 I242 N244 E248 I250	L79-F217 HydrophobicContact CB-CB 4.49Å; L79-F217 HydrophobicContact CB-CD1 3.98Å; L79-F217 HydrophobicContact CB-CG 4.48Å; L79-F217 HydrophobicContact CD1-CD1 3.67Å; L79-F217 HydrophobicContact CD1-CE1 3.58Å; L79-F217 HydrophobicContact CD1-CZ 4.4Å; L79-F217 HydrophobicContact CD2-CD1 3.99Å; L79-F217 HydrophobicContact CD2-CE1 4.37Å; L79-F217 HydrophobicContact CD2-CG 4.07Å; L79-F217 HydrophobicContact CG-CD1 4.08Å; L79-F217 HydrophobicContact CG-CE1 4.43Å; E80-F217 CarbonylContact C-O 3.58Å; E80-F217 PolarHBondContact O-N 3.4Å; T215-F217 PolarHBondContact O-N 3.24Å; F217-V219 HydrophobicContact CD1-CG2 3.99Å; F217-V219 HydrophobicContact CE1-CG2 4.04Å; F217-V219 PolarHBondContact O-N 3.03Å; F217-I242 HydrophobicContact CE1-CG2 3.99Å; F217-N244 HydrophobicContact CD1-CB 3.76Å; F217-N244 HydrophobicContact CD2-CB 3.99Å; F217-N244 WeakPolarHBondContact CD2-ND2 3.44Å; F217-N244 HydrophobicContact CE1-CB 3.63Å; F217-N244 HydrophobicContact CE2-CB 3.88Å; F217-N244 HydrophobicContact CG-CB 3.94Å; F217-N244 HydrophobicContact CZ-CB 3.71Å; F217-E248 HydrophobicContact CE2-CB 4.01Å; F217-I250 HydrophobicContact CD2-CG1 4.49Å; F217-I250 HydrophobicContact CE1-CG1 4.49Å; F217-I250 HydrophobicContact CE2-CD1 4.47Å; F217-I250 HydrophobicContact CE2-CG1 3.65Å; F217-I250 HydrophobicContact CZ-CB 4.34Å; F217-I250 HydrophobicContact CZ-CG1 3.65Å
218	E	98	Very high	91.9	Very high	88 Å²	88	63 Å²	63	41%	0.411	34%	0.34	S	S	.	.			trans	-80.1	102	175.7	-173	179.5	-174	0	0	110.2	K81 K220 N244 T245	K81-E218 HydrophobicContact CB-CB 3.72Å; K81-E218 HydrophobicContact CB-CG 3.96Å; K81-E218 HydrophobicContact CD-CG 4.46Å; E218-K220 PolarHBondContact O-N 3.27Å; E218-N244 CarbonylContact O-C 3.44Å; E218-N244 WeakPolarHBondContact O-CA 3.39Å; E218-N244 VanDerWaalsContact O-CB 3.28Å; E218-N244 WeakPolarHBondContact O-CB 3.43Å; E218-T245 HydrophobicContact CB-CG2 3.93Å; E218-T245 HydrophobicContact CG-CG2 3.85Å; E218-T245 PolarHBondContact O-N 3.48Å; E218-T245 WeakPolarHBondContact OE2-CG2 3.49Å
219	V	98.1	Very high	89.5	Confident	15 Å²	15	62.2 Å²	62.2	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	124.2	177.6	177.2	0	0	0	0	110.3	V54 L79 F217 I222 I242 I266 L269	V54-V219 HydrophobicContact CG1-CB 4.17Å; V54-V219 HydrophobicContact CG1-CG2 3.74Å; V54-V219 HydrophobicContact CG2-CG2 4.04Å; L79-V219 HydrophobicContact CB-CG2 4.33Å; L79-V219 HydrophobicContact CD1-CG2 3.89Å; F217-V219 HydrophobicContact CD1-CG2 3.99Å; F217-V219 HydrophobicContact CE1-CG2 4.04Å; F217-V219 PolarHBondContact O-N 3.03Å; V219-I222 HydrophobicContact CG1-CD1 4.4Å; V219-I222 HydrophobicContact CG1-CG1 4.01Å; V219-I242 HydrophobicContact CB-CG2 4.26Å; V219-I242 HydrophobicContact CG1-CG2 3.66Å; V219-I242 HydrophobicContact CG2-CG2 3.7Å; V219-I266 HydrophobicContact CB-CD1 4.34Å; V219-I266 HydrophobicContact CG1-CD1 4.34Å; V219-L269 HydrophobicContact CG1-CD1 4.19Å
220	K	97.2	Very high	87.1	Confident	137 Å²	137	66.5 Å²	66.5	60%	0.596	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	-24.5	179.2	-173.7	178.9	178.8	-178.2	0	112.6	E218 K243 T245 L269	E218-K220 PolarHBondContact O-N 3.27Å; K220-K243 PolarHBondContact N-O 3.15Å; K220-T245 HydrophobicContact CB-CG2 4.11Å; K220-T245 HydrophobicContact CD-CG2 4.2Å; K220-L269 VanDerWaalsContact O-CD2 3.29Å; K220-L269 WeakPolarHBondContact O-CD2 3.37Å
221	D	96.2	Very high	84.6	Confident	56 Å²	56	74.8 Å²	74.8	30%	0.299	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148	-176.7	-158.2	7.6	0	0	0	111.6	I242 K243	D221-I242 WeakPolarHBondContact O-CA 3.36Å; D221-K243 HydrophobicContact CB-CB 4.08Å; D221-K243 HydrophobicContact CB-CD 4.47Å; D221-K243 HydrophobicContact CB-CG 4.5Å; D221-K243 PolarHBondContact N-O 3.34Å; D221-K243 PolarHBondContact O-N 2.98Å
222	I	95.5	Very high	82.2	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	105.9	175.3	-48.1	178.7	0	0	0	107.4	V219 I240 I242 V255 I266 L269 I428	V219-I222 HydrophobicContact CG1-CD1 4.4Å; V219-I222 HydrophobicContact CG1-CG1 4.01Å; I222-I240 HydrophobicContact CG2-CG2 3.79Å; I222-I242 HydrophobicContact CG2-CG1 4.38Å; I222-V255 HydrophobicContact CG2-CG2 4.45Å; I222-I266 HydrophobicContact CD1-CG2 4.42Å; I222-L269 HydrophobicContact CB-CB 4.45Å; I222-L269 HydrophobicContact CD1-CB 4.44Å; I222-L269 HydrophobicContact CG1-CB 4.21Å; I222-L269 HydrophobicContact CG1-CD1 4.26Å; I222-I428 HydrophobicContact CB-CD1 4.33Å; I222-I428 HydrophobicContact CG2-CD1 3.64Å; I222-I428 WeakPolarHBondContact O-CD1 3.43Å
223	E	92.6	Very high	79.7	Confident	53 Å²	53	84.4 Å²	84.4	25%	0.248	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.3	-175.9	63.5	176.5	-178.6	0	0	112.3	V241 K243	E223-V241 HydrophobicContact CG-CB 4.23Å; E223-V241 PolarHBondContact N-O 2.97Å; E223-V241 PolarHBondContact O-N 3.15Å; E223-K243 VanDerWaalsContact OE1-CE 3.27Å; E223-K243 WeakPolarHBondContact OE1-CE 3.31Å; E223-K243 IonicContact OE1-NZ 3.5Å; E223-K243 PolarHBondContact OE1-NZ 3.3Å
224	M	91	Very high	77.1	Confident	63 Å²	63	89.5 Å²	89.5	31%	0.31	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.6	164.3	-66.8	-64.7	-61.4	0	0	108.6	K226 P239 I240 N427 I428	M224-K226 PolarHBondContact O-N 3.43Å; M224-P239 CarbonylContact C-O 3.43Å; M224-P239 WeakPolarHBondContact CA-O 3.48Å; M224-P239 HydrophobicContact CE-CB 3.87Å; M224-I240 HydrophobicContact SD-CD1 3.56Å; M224-I240 VanDerWaalsContact SD-CD1 3.56Å; M224-N427 HydrophobicContact CG-CB 4.06Å; M224-N427 HydrophobicContact SD-CB 4.42Å; M224-I428 HydrophobicContact SD-CB 4.49Å; M224-I428 HydrophobicContact SD-CG1 4.35Å
225	A	85.8	Confident	74.9	Confident	20 Å²	20	91.1 Å²	91.1	17%	0.165	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-59.2	138.4	172.6	0	0	0	0	0	110.6	M236 P239 V241	A225-M236 HydrophobicContact CB-CE 3.48Å; A225-M236 VanDerWaalsContact CB-CE 3.48Å; A225-M236 HydrophobicContact CB-SD 3.09Å; A225-M236 WeakPolarHBondContact CB-SD 3.45Å; A225-P239 PolarHBondContact N-O 3.49Å; A225-V241 HydrophobicContact CB-CG2 3.64Å
226	K	77.1	Confident	73.4	Confident	174 Å²	174	91 Å²	91	76%	0.757	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-65.3	136.6	172.2	-61	-179.7	-176.7	178.2	0	108.5	M224 S228 M236	M224-K226 PolarHBondContact O-N 3.43Å; K226-S228 PolarHBondContact O-N 2.99Å; K226-M236 WeakPolarHBondContact O-CE 3.36Å
227	E	61.4	Low	72.6	Confident	187 Å²	187	93.5 Å²	93.5	87%	0.874	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-48.9	135.5	-179.9	-72.2	-176	167.1	0	0	110.8
228	S	54.4	Low	72.1	Confident	58 Å²	58	95.2 Å²	95.2	41%	0.406	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-66.1	152.8	166.3	-63.9	0	0	0	0	108.8	K226	K226-S228 PolarHBondContact O-N 2.99Å
229	P	48.8	Very low	71.8	Confident	116 Å²	116	91.8 Å²	91.8	75%	0.753	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-49.6	147.6	174.5	-22.5	31.2	0	0	0	110.5	R231 S232	P229-R231 PolarHBondContact O-N 2.73Å; P229-S232 PolarHBondContact O-N 3.03Å
230	S	47.3	Very low	71.7	Confident	133 Å²	133	91 Å²	91	93%	0.93	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	36.3	-166.5	35.8	0	0	0	0	117.5
231	R	46.2	Very low	71.6	Confident	234 Å²	234	84.7 Å²	84.7	88%	0.883	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	5.5	177.8	-69.8	-170.6	-179.4	174.9	0.6	115	P229 I233	P229-R231 PolarHBondContact O-N 2.73Å; R231-I233 PolarHBondContact O-N 3.06Å
232	S	47.6	Very low	71.6	Confident	67 Å²	67	82 Å²	82	47%	0.469	44%	0.441	S	S	.	.			trans	-81.7	109.3	169	61.5	0	0	0	0	109.8	P229 D234	P229-S232 PolarHBondContact O-N 3.03Å; S232-D234 PolarHBondContact O-N 2.86Å
233	I	44.3	Very low	71.6	Confident	170 Å²	170	84.3 Å²	84.3	87%	0.872	45%	0.45	S	S	*	.	S	Bend	trans	-72.8	-16.4	179.4	-57.2	165.6	0	0	0	110.9	R231	R231-I233 PolarHBondContact O-N 3.06Å
234	D	43.9	Very low	71.8	Confident	139 Å²	139	82 Å²	82	74%	0.743	44%	0.44	S	S	*	.	S	Bend	trans	-89.4	109.3	168.6	-61	-38.6	0	0	0	108.8	S232 M236	S232-D234 PolarHBondContact O-N 2.86Å; D234-M236 PolarHBondContact O-N 3.2Å
235	G	53.8	Low	72	Confident	68 Å²	68	82 Å²	82	70%	0.701	44%	0.444	S	S	*	.			trans	-49.4	141.4	162.6	0	0	0	0	0	108.9	Q237	G235-Q237 PolarHBondContact O-N 3.22Å
236	M	66.7	Low	72.4	Confident	53 Å²	53	87.6 Å²	87.6	26%	0.261	46%	0.464	S	S	.	.			trans	-59.1	105.7	-169.8	-165	177.2	-52	0	0	110.3	A225 K226 D234 Y238 P239 R251	A225-M236 HydrophobicContact CB-CE 3.48Å; A225-M236 VanDerWaalsContact CB-CE 3.48Å; A225-M236 HydrophobicContact CB-SD 3.09Å; A225-M236 WeakPolarHBondContact CB-SD 3.45Å; K226-M236 WeakPolarHBondContact O-CE 3.36Å; D234-M236 PolarHBondContact O-N 3.2Å; M236-Y238 PolarHBondContact O-N 3.21Å; M236-P239 WeakPolarHBondContact O-CD 3.3Å; M236-R251 PolarHBondContact SD-NH1 3.42Å
237	Q	79.9	Confident	73.1	Confident	122 Å²	122	81.8 Å²	81.8	57%	0.57	45%	0.454	S	S	*	.	S	Bend	trans	-52.7	-34.6	-175.8	-176.8	179.4	8.6	0	0	111.4	G235 P239 Q253	G235-Q237 PolarHBondContact O-N 3.22Å; Q237-P239 WeakPolarHBondContact O-CD 3.19Å; Q237-Q253 VanDerWaalsContact O-CG 3.27Å; Q237-Q253 WeakPolarHBondContact O-CG 2.98Å
238	Y	89.3	Confident	74.7	Confident	43 Å²	43	77.7 Å²	77.7	17%	0.169	44%	0.435	C	S	.	.	S	Bend	trans	-120.9	82.7	178.8	-55.1	-69.3	0	0	0	110.2	F49 M236 I240 C252 Q253	F49-Y238 WeakPolarHBondContact O-CD1 3.37Å; F49-Y238 WeakPolarHBondContact O-CE1 3.48Å; M236-Y238 PolarHBondContact O-N 3.21Å; Y238-I240 VanDerWaalsContact C-N 3.34Å; Y238-I240 PolarHBondContact O-N 3.37Å; Y238-C252 CarbonylContact C-O 3.57Å; Y238-C252 VanDerWaalsContact C-O 3.29Å; Y238-C252 WeakPolarHBondContact CA-O 3.25Å; Y238-Q253 HydrophobicContact CD1-CG 3.65Å; Y238-Q253 HydrophobicContact CE1-CG 3.97Å
239	P	91.7	Very high	76.6	Confident	15 Å²	15	79.2 Å²	79.2	10%	0.097	44%	0.435	C	S	.	.			trans	-79.9	-9.5	-171.2	32.3	-36.8	0	0	0	114.3	M224 A225 M236 Q237 C252 R431	M224-P239 CarbonylContact C-O 3.43Å; M224-P239 WeakPolarHBondContact CA-O 3.48Å; M224-P239 HydrophobicContact CE-CB 3.87Å; A225-P239 PolarHBondContact N-O 3.49Å; M236-P239 WeakPolarHBondContact O-CD 3.3Å; Q237-P239 WeakPolarHBondContact O-CD 3.19Å; P239-C252 WeakPolarHBondContact CD-O 3.42Å; P239-R431 VanDerWaalsContact CG-CZ 3.43Å
240	I	94.3	Very high	78.8	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.5	173.9	-56	-60.3	0	0	0	109.6	I222 M224 Y238 I242 R251 C252 V255 I428 R431	I222-I240 HydrophobicContact CG2-CG2 3.79Å; M224-I240 HydrophobicContact SD-CD1 3.56Å; M224-I240 VanDerWaalsContact SD-CD1 3.56Å; Y238-I240 VanDerWaalsContact C-N 3.34Å; Y238-I240 PolarHBondContact O-N 3.37Å; I240-I242 HydrophobicContact CG2-CG1 4.13Å; I240-R251 CarbonylContact O-C 3.57Å; I240-R251 WeakPolarHBondContact O-CA 3.31Å; I240-C252 WeakPolarHBondContact CB-O 3.49Å; I240-C252 PolarHBondContact N-O 3.01Å; I240-C252 PolarHBondContact O-N 2.64Å; I240-V255 HydrophobicContact CG2-CG2 3.8Å; I240-I428 HydrophobicContact CD1-CD1 4.16Å; I240-I428 HydrophobicContact CD1-CG1 3.53Å; I240-R431 HydrophobicContact CD1-CB 4Å; I240-R431 HydrophobicContact CG1-CB 4.16Å
241	V	94.8	Very high	81.2	Confident	4 Å²	4	72 Å²	72	2%	0.024	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.4	169.7	-173.2	0	0	0	0	108.7	E223 A225 K243 E249 R251	E223-V241 HydrophobicContact CG-CB 4.23Å; E223-V241 PolarHBondContact N-O 2.97Å; E223-V241 PolarHBondContact O-N 3.15Å; A225-V241 HydrophobicContact CB-CG2 3.64Å; V241-K243 HydrophobicContact CG1-CG 4.16Å; V241-E249 HydrophobicContact CG1-CB 4.1Å; V241-E249 HydrophobicContact CG1-CG 4.21Å; V241-R251 HydrophobicContact CG2-CG 4.38Å
242	I	96.5	Very high	83.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.8	172.2	-55.4	176.3	0	0	0	107.8	V52 L79 F217 V219 D221 I222 I240 E249 I250 V255	V52-I242 HydrophobicContact CB-CD1 3.83Å; V52-I242 HydrophobicContact CG1-CD1 3.55Å; V52-I242 HydrophobicContact CG2-CD1 4.26Å; L79-I242 HydrophobicContact CD1-CB 4.47Å; L79-I242 HydrophobicContact CD1-CD1 4.05Å; L79-I242 HydrophobicContact CD1-CG2 3.88Å; F217-I242 HydrophobicContact CE1-CG2 3.99Å; V219-I242 HydrophobicContact CB-CG2 4.26Å; V219-I242 HydrophobicContact CG1-CG2 3.66Å; V219-I242 HydrophobicContact CG2-CG2 3.7Å; D221-I242 WeakPolarHBondContact O-CA 3.36Å; I222-I242 HydrophobicContact CG2-CG1 4.38Å; I240-I242 HydrophobicContact CG2-CG1 4.13Å; I242-E249 WeakPolarHBondContact O-CA 3.3Å; I242-I250 PolarHBondContact N-O 3.32Å; I242-I250 PolarHBondContact O-N 3.19Å; I242-V255 HydrophobicContact CD1-CG1 4.19Å; I242-V255 HydrophobicContact CD1-CG2 3.87Å; I242-V255 HydrophobicContact CG1-CG2 4.39Å
243	K	96.6	Very high	85.8	Confident	52 Å²	52	60 Å²	60	23%	0.226	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140	178.9	-57.2	-180	167.4	167.2	0	110.6	K220 D221 E223 V241 E248 E249	K220-K243 PolarHBondContact N-O 3.15Å; D221-K243 HydrophobicContact CB-CB 4.08Å; D221-K243 HydrophobicContact CB-CD 4.47Å; D221-K243 HydrophobicContact CB-CG 4.5Å; D221-K243 PolarHBondContact N-O 3.34Å; D221-K243 PolarHBondContact O-N 2.98Å; E223-K243 VanDerWaalsContact OE1-CE 3.27Å; E223-K243 WeakPolarHBondContact OE1-CE 3.31Å; E223-K243 IonicContact OE1-NZ 3.5Å; E223-K243 PolarHBondContact OE1-NZ 3.3Å; V241-K243 HydrophobicContact CG1-CG 4.16Å; K243-E248 WeakPolarHBondContact CA-O 3.45Å; K243-E249 WeakPolarHBondContact CE-OE1 3.18Å; K243-E249 HydrophobicContact CG-CG 4.22Å; K243-E249 IonicContact NZ-OE1 2.64Å
244	N	96.4	Very high	88.3	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	176.5	169.8	76.3	5.8	0	0	0	113.2	F217 E218 K246 G247 E248	F217-N244 HydrophobicContact CD1-CB 3.76Å; F217-N244 HydrophobicContact CD2-CB 3.99Å; F217-N244 WeakPolarHBondContact CD2-ND2 3.44Å; F217-N244 HydrophobicContact CE1-CB 3.63Å; F217-N244 HydrophobicContact CE2-CB 3.88Å; F217-N244 HydrophobicContact CG-CB 3.94Å; F217-N244 HydrophobicContact CZ-CB 3.71Å; E218-N244 CarbonylContact O-C 3.44Å; E218-N244 WeakPolarHBondContact O-CA 3.39Å; E218-N244 VanDerWaalsContact O-CB 3.28Å; E218-N244 WeakPolarHBondContact O-CB 3.43Å; N244-K246 PolarHBondContact O-N 3.18Å; N244-K246 VanDerWaalsContact O-N 3.16Å; N244-K246 WeakPolarHBondContact OD1-CA 3.39Å; N244-K246 WeakPolarHBondContact OD1-CB 3.1Å; N244-K246 PolarHBondContact OD1-N 3.46Å; N244-G247 PolarHBondContact O-N 3.47Å; N244-G247 VanDerWaalsContact O-N 3.11Å; N244-G247 PolarHBondContact OD1-N 3.46Å; N244-E248 PolarHBondContact N-O 3.44Å; N244-E248 PolarHBondContact ND2-OE2 3.13Å; N244-E248 WeakPolarHBondContact OD1-CB 3.29Å; N244-E248 PolarHBondContact OD1-N 3.08Å
245	T	94.6	Very high	90.9	Very high	64 Å²	64	47.1 Å²	47.1	39%	0.393	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	177.1	52.2	0	0	0	0	114.7	E218 K220	E218-T245 HydrophobicContact CB-CG2 3.93Å; E218-T245 HydrophobicContact CG-CG2 3.85Å; E218-T245 PolarHBondContact O-N 3.48Å; E218-T245 WeakPolarHBondContact OE2-CG2 3.49Å; K220-T245 HydrophobicContact CB-CG2 4.11Å; K220-T245 HydrophobicContact CD-CG2 4.2Å
246	K	94.9	Very high	93	Very high	136 Å²	136	43.9 Å²	43.9	59%	0.591	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.8	178	-57.7	171.7	-173.2	157.5	0	113.2	N216 N244 E248	N216-K246 PolarHBondContact O-NZ 2.98Å; N244-K246 PolarHBondContact O-N 3.18Å; N244-K246 VanDerWaalsContact O-N 3.16Å; N244-K246 WeakPolarHBondContact OD1-CA 3.39Å; N244-K246 WeakPolarHBondContact OD1-CB 3.1Å; N244-K246 PolarHBondContact OD1-N 3.46Å; K246-E248 HydrophobicContact CB-CG 4.49Å
247	G	92.4	Very high	94.5	Very high	53 Å²	53	41.3 Å²	41.3	55%	0.546	20%	0.204	S	C	.	.			trans	83.8	11.1	-176.7	0	0	0	0	0	114.7	N244	N244-G247 PolarHBondContact O-N 3.47Å; N244-G247 VanDerWaalsContact O-N 3.11Å; N244-G247 PolarHBondContact OD1-N 3.46Å
248	E	94.4	Very high	95.3	Very high	101 Å²	101	36.1 Å²	36.1	47%	0.472	18%	0.181	S	C	.	.			trans	-71.4	139.2	170.2	-58.7	171	159.1	0	0	109.5	F217 K243 N244 K246	F217-E248 HydrophobicContact CE2-CB 4.01Å; K243-E248 WeakPolarHBondContact CA-O 3.45Å; N244-E248 PolarHBondContact N-O 3.44Å; N244-E248 PolarHBondContact ND2-OE2 3.13Å; N244-E248 WeakPolarHBondContact OD1-CB 3.29Å; N244-E248 PolarHBondContact OD1-N 3.08Å; K246-E248 HydrophobicContact CB-CG 4.49Å
249	E	94.6	Very high	95.7	Very high	89 Å²	89	35 Å²	35	42%	0.416	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.5	-176.7	-56.5	-166.6	162.7	0	0	111.6	V241 I242 K243	V241-E249 HydrophobicContact CG1-CB 4.1Å; V241-E249 HydrophobicContact CG1-CG 4.21Å; I242-E249 WeakPolarHBondContact O-CA 3.3Å; K243-E249 WeakPolarHBondContact CE-OE1 3.18Å; K243-E249 HydrophobicContact CG-CG 4.22Å; K243-E249 IonicContact NZ-OE1 2.64Å
250	I	95.6	Very high	95.8	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.7	167.7	-63.2	-63.6	0	0	0	108.1	T46 F49 V52 L79 L214 F217 I242	T46-I250 WeakPolarHBondContact O-CD1 3.1Å; F49-I250 HydrophobicContact CD2-CG2 3.73Å; F49-I250 HydrophobicContact CE2-CD1 4.49Å; F49-I250 HydrophobicContact CE2-CG2 4.02Å; V52-I250 HydrophobicContact CG2-CG2 4Å; L79-I250 HydrophobicContact CD2-CG1 4.28Å; L214-I250 HydrophobicContact CD2-CD1 3.83Å; L214-I250 HydrophobicContact CD2-CG1 4.47Å; F217-I250 HydrophobicContact CD2-CG1 4.49Å; F217-I250 HydrophobicContact CE1-CG1 4.49Å; F217-I250 HydrophobicContact CE2-CD1 4.47Å; F217-I250 HydrophobicContact CE2-CG1 3.65Å; F217-I250 HydrophobicContact CZ-CB 4.34Å; F217-I250 HydrophobicContact CZ-CG1 3.65Å; I242-I250 PolarHBondContact N-O 3.32Å; I242-I250 PolarHBondContact O-N 3.19Å
251	R	95.9	Very high	95.9	Very high	90 Å²	90	35.8 Å²	35.8	34%	0.34	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.3	175.4	-58.8	-169.7	174.9	-154.3	-1.9	111.5	S47 S48 F49 M236 I240 V241	S47-R251 PolarHBondContact O-N 3.06Å; S48-R251 CarbonylContact C-O 3.49Å; S48-R251 WeakPolarHBondContact CA-O 3.01Å; F49-R251 PolarHBondContact N-O 3.37Å; M236-R251 PolarHBondContact SD-NH1 3.42Å; I240-R251 CarbonylContact O-C 3.57Å; I240-R251 WeakPolarHBondContact O-CA 3.31Å; V241-R251 HydrophobicContact CG2-CG 4.38Å
252	C	95.8	Very high	96	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	169.8	173.6	56.9	0	0	0	0	115.2	F49 V52 Y238 P239 I240	F49-C252 HydrophobicContact CB-CB 4.48Å; F49-C252 WeakPolarHBondContact O-CA 3.2Å; F49-C252 WeakPolarHBondContact O-CB 3.47Å; V52-C252 HydrophobicContact CB-CB 4.32Å; V52-C252 HydrophobicContact CG2-CB 3.6Å; Y238-C252 CarbonylContact C-O 3.57Å; Y238-C252 VanDerWaalsContact C-O 3.29Å; Y238-C252 WeakPolarHBondContact CA-O 3.25Å; P239-C252 WeakPolarHBondContact CD-O 3.42Å; I240-C252 WeakPolarHBondContact CB-O 3.49Å; I240-C252 PolarHBondContact N-O 3.01Å; I240-C252 PolarHBondContact O-N 2.64Å
253	Q	95.1	Very high	95.9	Very high	48 Å²	48	37.8 Å²	37.8	22%	0.224	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-42.6	171.6	-53.1	-160.9	43.9	0	0	111.7	F49 D50 Q237 Y238 R431	F49-Q253 PolarHBondContact O-N 3Å; D50-Q253 VanDerWaalsContact O-CB 3.28Å; D50-Q253 WeakPolarHBondContact O-CB 3.32Å; D50-Q253 PolarHBondContact O-N 3.42Å; D50-Q253 PolarHBondContact OD1-NE2 3.43Å; Q237-Q253 VanDerWaalsContact O-CG 3.27Å; Q237-Q253 WeakPolarHBondContact O-CG 2.98Å; Y238-Q253 HydrophobicContact CD1-CG 3.65Å; Y238-Q253 HydrophobicContact CE1-CG 3.97Å; Q253-R431 PolarHBondContact O-NH1 3.18Å
254	Y	97.3	Very high	95.8	Very high	39 Å²	39	35.3 Å²	35.3	15%	0.153	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152	-172.3	-54.9	-75.9	0	0	0	112.5	D50 I51 V52 R431 F461 L463	D50-Y254 PolarHBondContact O-N 2.9Å; I51-Y254 WeakPolarHBondContact CA-O 3.4Å; I51-Y254 HydrophobicContact CG1-CD2 4.49Å; V52-Y254 PolarHBondContact N-O 3.18Å; Y254-R431 CarbonylContact C-O 3.47Å; Y254-R431 VanDerWaalsContact CA-O 3.25Å; Y254-R431 WeakPolarHBondContact CA-O 3.4Å; Y254-R431 HydrophobicContact CD1-CB 4.31Å; Y254-R431 HydrophobicContact CD1-CG 4.43Å; Y254-R431 HydrophobicContact CE1-CG 4.48Å; Y254-F461 VanDerWaalsContact CB-CE2 3.5Å; Y254-F461 HydrophobicContact CD1-CB 3.7Å; Y254-F461 AromaticContact CD1-CD1 3.27Å; Y254-F461 HydrophobicContact CD1-CD1 3.27Å; Y254-F461 AromaticContact CD1-CD2 3.63Å; Y254-F461 HydrophobicContact CD1-CD2 3.63Å; Y254-F461 AromaticContact CD1-CE1 3.75Å; Y254-F461 HydrophobicContact CD1-CE1 3.75Å; Y254-F461 HydrophobicContact CD1-CE2 4.11Å; Y254-F461 AromaticContact CD1-CG 3.23Å; Y254-F461 HydrophobicContact CD1-CG 3.23Å; Y254-F461 HydrophobicContact CD1-CZ 4.16Å; Y254-F461 HydrophobicContact CD2-CB 4.25Å; Y254-F461 HydrophobicContact CD2-CD2 4.19Å; Y254-F461 HydrophobicContact CD2-CG 4.28Å; Y254-F461 HydrophobicContact CE1-CB 3.55Å; Y254-F461 AromaticContact CE1-CD1 3.66Å; Y254-F461 HydrophobicContact CE1-CD1 3.66Å; Y254-F461 HydrophobicContact CE1-CD2 4.38Å; Y254-F461 HydrophobicContact CE1-CE1 4.49Å; Y254-F461 AromaticContact CE1-CG 3.61Å; Y254-F461 HydrophobicContact CE1-CG 3.61Å; Y254-F461 HydrophobicContact CE2-CB 4.14Å; Y254-F461 HydrophobicContact CG-CB 4.05Å; Y254-F461 HydrophobicContact CG-CD1 4.07Å; Y254-F461 AromaticContact CG-CD2 3.52Å; Y254-F461 HydrophobicContact CG-CD2 3.52Å; Y254-F461 HydrophobicContact CG-CE1 4.44Å; Y254-F461 AromaticContact CG-CE2 3.98Å; Y254-F461 HydrophobicContact CG-CE2 3.98Å; Y254-F461 AromaticContact CG-CG 3.62Å; Y254-F461 HydrophobicContact CG-CG 3.62Å; Y254-F461 HydrophobicContact CG-CZ 4.41Å; Y254-F461 PolarHBondContact OH-O 2.67Å; Y254-L463 HydrophobicContact CD2-CD2 4.45Å; Y254-L463 HydrophobicContact CE2-CD2 4.06Å
255	V	98.1	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.6	179.2	-169.9	0	0	0	0	110.6	V52 V54 I222 I240 I242 T257 R431 V432 L433	V52-V255 CarbonylContact O-C 3.6Å; V52-V255 VanDerWaalsContact O-CA 3.3Å; V52-V255 WeakPolarHBondContact O-CA 3.44Å; V54-V255 HydrophobicContact CG2-CG1 3.93Å; I222-V255 HydrophobicContact CG2-CG2 4.45Å; I240-V255 HydrophobicContact CG2-CG2 3.8Å; I242-V255 HydrophobicContact CD1-CG1 4.19Å; I242-V255 HydrophobicContact CD1-CG2 3.87Å; I242-V255 HydrophobicContact CG1-CG2 4.39Å; V255-T257 HydrophobicContact CG1-CG2 3.93Å; V255-R431 PolarHBondContact N-O 3.14Å; V255-V432 HydrophobicContact CB-CG1 4.17Å; V255-V432 HydrophobicContact CB-CG2 4.12Å; V255-V432 HydrophobicContact CG2-CG2 4.37Å; V255-V432 CarbonylContact O-C 3.57Å; V255-V432 VanDerWaalsContact O-CA 3.31Å; V255-V432 WeakPolarHBondContact O-CA 3.4Å; V255-L433 PolarHBondContact O-N 2.86Å
256	V	98.4	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.2	169.4	-175.7	0	0	0	0	108.5	I51 V52 I53 V54 L433 I453 V457 F461	I51-V256 HydrophobicContact CG2-CG2 4.15Å; V52-V256 PolarHBondContact O-N 3.46Å; I53-V256 CarbonylContact C-O 3.29Å; I53-V256 WeakPolarHBondContact CA-O 3.5Å; I53-V256 HydrophobicContact CG1-CB 4.33Å; V54-V256 PolarHBondContact N-O 3.16Å; V256-L433 CarbonylContact C-O 3.57Å; V256-L433 VanDerWaalsContact CA-O 3.3Å; V256-L433 WeakPolarHBondContact CA-O 3.37Å; V256-L433 HydrophobicContact CG1-CD2 4.44Å; V256-I453 HydrophobicContact CG1-CG2 4.01Å; V256-V457 HydrophobicContact CG2-CG2 3.54Å; V256-F461 HydrophobicContact CG2-CE2 4.12Å
257	T	98.1	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.8	-177.8	80.5	0	0	0	0	111.6	V54 V255 I266 V432 L433 H434 V435	V54-T257 HydrophobicContact CB-CG2 4.19Å; V54-T257 HydrophobicContact CG2-CG2 4.28Å; V255-T257 HydrophobicContact CG1-CG2 3.93Å; T257-I266 HydrophobicContact CG2-CG2 3.66Å; T257-V432 HydrophobicContact CG2-CG1 4.49Å; T257-L433 PolarHBondContact N-O 3.03Å; T257-H434 VanDerWaalsContact CG2-ND1 3.3Å; T257-H434 WeakPolarHBondContact CG2-ND1 3.25Å; T257-H434 WeakPolarHBondContact OG1-CA 3.41Å; T257-H434 PolarHBondContact OG1-ND1 3.41Å; T257-V435 WeakPolarHBondContact O-CA 3.35Å; T257-V435 VanDerWaalsContact O-CB 3.31Å; T257-V435 WeakPolarHBondContact O-CB 3.19Å; T257-V435 PolarHBondContact O-N 2.94Å
258	C	97.6	Very high	96	Very high	13 Å²	13	29.9 Å²	29.9	9%	0.088	14%	0.143	C	C	.	.			trans	-123.4	49.4	176.2	-66	0	0	0	0	110.1	V54 V59 G260	V54-C258 CarbonylContact O-C 3.54Å; V54-C258 WeakPolarHBondContact O-CA 3.32Å; V54-C258 PolarHBondContact O-N 2.99Å; V59-C258 HydrophobicContact CG1-CB 4.35Å; C258-G260 VanDerWaalsContact C-N 3.28Å; C258-G260 PolarHBondContact O-N 3.44Å
259	A	96.7	Very high	96	Very high	20 Å²	20	27.7 Å²	27.7	17%	0.165	13%	0.134	C	C	.	.			trans	-82	8.4	-166.1	0	0	0	0	0	115.6	L261 Y262 I266	A259-L261 PolarHBondContact O-N 3.48Å; A259-Y262 PolarHBondContact O-N 2.85Å; A259-I266 HydrophobicContact CB-CB 4.13Å; A259-I266 HydrophobicContact CB-CG1 3.71Å; A259-I266 HydrophobicContact CB-CG2 4.49Å
260	G	95	Very high	96	Very high	26 Å²	26	23.8 Å²	23.8	27%	0.268	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	51.1	-113.3	172.4	0	0	0	0	0	113.5	C258 Y262 S263	C258-G260 VanDerWaalsContact C-N 3.28Å; C258-G260 PolarHBondContact O-N 3.44Å; G260-Y262 PolarHBondContact O-N 3.27Å; G260-S263 VanDerWaalsContact O-CB 3.31Å; G260-S263 WeakPolarHBondContact O-CB 3.11Å; G260-S263 PolarHBondContact O-N 2.97Å; G260-S263 VanDerWaalsContact O-N 3.09Å; G260-S263 PolarHBondContact O-OG 2.82Å
261	L	95.3	Very high	95.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-58.2	-12.2	177.4	-75.4	162	0	0	0	115.1	Q89 A259 P280 R335 E336 V404 A406	Q89-L261 HydrophobicContact CG-CD1 3.93Å; Q89-L261 HydrophobicContact CG-CG 4.04Å; A259-L261 PolarHBondContact O-N 3.48Å; L261-P280 HydrophobicContact CD2-CB 4.41Å; L261-R335 HydrophobicContact CB-CB 4.4Å; L261-R335 WeakPolarHBondContact CD1-O 3.42Å; L261-R335 WeakPolarHBondContact CD2-O 3.44Å; L261-R335 WeakPolarHBondContact O-CD 3.42Å; L261-R335 PolarHBondContact O-NH1 2.92Å; L261-E336 HydrophobicContact CD1-CG 4.19Å; L261-V404 HydrophobicContact CD1-CB 4.39Å; L261-V404 HydrophobicContact CD2-CB 4.44Å; L261-V404 HydrophobicContact CD2-CG1 3.86Å; L261-A406 HydrophobicContact CD2-CB 3.76Å; L261-A406 HydrophobicContact CG-CB 4.15Å
262	Y	96.4	Very high	95.6	Very high	44 Å²	44	21.9 Å²	21.9	17%	0.173	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-119.7	14	179.5	-66.7	-97.6	0	0	0	112.5	A259 G260 D264 R265 I266 R335 E336	A259-Y262 PolarHBondContact O-N 2.85Å; G260-Y262 PolarHBondContact O-N 3.27Å; Y262-D264 VanDerWaalsContact C-N 3.32Å; Y262-D264 PolarHBondContact O-N 2.94Å; Y262-R265 PolarHBondContact O-N 2.85Å; Y262-I266 WeakPolarHBondContact O-CG1 3.48Å; Y262-I266 PolarHBondContact O-N 3.17Å; Y262-R335 HydrophobicContact CE2-CB 4.25Å; Y262-E336 HydrophobicContact CE2-CG 3.9Å; Y262-E336 WeakPolarHBondContact CE2-OE1 3.28Å
263	S	95.6	Very high	95.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-36.5	-172.7	64.5	0	0	0	0	114.1	G260 S267 I278 R436	G260-S263 VanDerWaalsContact O-CB 3.31Å; G260-S263 WeakPolarHBondContact O-CB 3.11Å; G260-S263 PolarHBondContact O-N 2.97Å; G260-S263 VanDerWaalsContact O-N 3.09Å; G260-S263 PolarHBondContact O-OG 2.82Å; S263-S267 WeakPolarHBondContact O-CB 3.21Å; S263-S267 PolarHBondContact O-N 2.68Å; S263-S267 PolarHBondContact O-OG 3.21Å; S263-I278 WeakPolarHBondContact OG-CD1 3.31Å; S263-I278 WeakPolarHBondContact OG-CG1 3.34Å; S263-R436 WeakPolarHBondContact CB-O 3.44Å; S263-R436 PolarHBondContact OG-O 2.97Å
264	D	94.5	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-50.5	172.8	56.8	-12.8	0	0	0	112	Y262 I266 S267 E268 I278 R335	Y262-D264 VanDerWaalsContact C-N 3.32Å; Y262-D264 PolarHBondContact O-N 2.94Å; D264-I266 PolarHBondContact O-N 2.71Å; D264-S267 PolarHBondContact O-N 2.85Å; D264-S267 VanDerWaalsContact O-N 3.11Å; D264-S267 PolarHBondContact O-OG 3.04Å; D264-E268 PolarHBondContact O-N 3.12Å; D264-I278 HydrophobicContact CB-CG1 4.09Å; D264-I278 PolarHBondContact OD2-N 3.32Å; D264-R335 IonicContact OD1-CZ 2.58Å; D264-R335 IonicContact OD1-NH1 3.5Å; D264-R335 PolarHBondContact OD1-NH1 2.74Å; D264-R335 IonicContact OD1-NH2 2.86Å; D264-R335 PolarHBondContact OD1-NH2 3.29Å; D264-R335 IonicContact OD2-CZ 3.86Å; D264-R335 IonicContact OD2-NH1 3.63Å; D264-R335 PolarHBondContact OD2-NH1 3.35Å; D264-R335 IonicContact OD2-NH2 3.69Å; D264-R335 PolarHBondContact OD2-NH2 2.68Å
265	R	95.1	Very high	94.5	Very high	57 Å²	57	25 Å²	25	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-41.6	179.9	-70.8	-174.6	175	163.6	3.5	112.9	Y262 S267 E268 L269 D347 D350	Y262-R265 PolarHBondContact O-N 2.85Å; R265-S267 VanDerWaalsContact C-N 3.3Å; R265-S267 PolarHBondContact O-N 2.81Å; R265-E268 PolarHBondContact O-N 2.94Å; R265-L269 PolarHBondContact O-N 2.86Å; R265-D347 IonicContact CZ-OD1 2.66Å; R265-D347 IonicContact NH1-OD1 3.64Å; R265-D347 PolarHBondContact NH1-OD1 2.86Å; R265-D347 IonicContact NH2-OD1 2.84Å; R265-D347 PolarHBondContact NH2-OD1 3.23Å; R265-D350 IonicContact CZ-OD2 2.69Å; R265-D350 IonicContact NE-OD2 3.02Å; R265-D350 IonicContact NH2-OD2 3.18Å; R265-D350 PolarHBondContact NH2-OD2 2.7Å
266	I	96.3	Very high	94.3	Very high	17 Å²	17	25.5 Å²	25.5	9%	0.087	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-34.2	177.3	-68.1	-63.1	0	0	0	111	V219 I222 T257 A259 Y262 D264 E268 L269	V219-I266 HydrophobicContact CB-CD1 4.34Å; V219-I266 HydrophobicContact CG1-CD1 4.34Å; I222-I266 HydrophobicContact CD1-CG2 4.42Å; T257-I266 HydrophobicContact CG2-CG2 3.66Å; A259-I266 HydrophobicContact CB-CB 4.13Å; A259-I266 HydrophobicContact CB-CG1 3.71Å; A259-I266 HydrophobicContact CB-CG2 4.49Å; Y262-I266 WeakPolarHBondContact O-CG1 3.48Å; Y262-I266 PolarHBondContact O-N 3.17Å; D264-I266 PolarHBondContact O-N 2.71Å; I266-E268 VanDerWaalsContact C-N 3.34Å; I266-L269 HydrophobicContact CD1-CD1 3.86Å; I266-L269 WeakPolarHBondContact O-CB 3.39Å; I266-L269 PolarHBondContact O-N 2.99Å
267	S	95.4	Very high	94	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-33.3	174.6	73.3	0	0	0	0	113	S263 D264 R265 L269 S270 C272 R436	S263-S267 WeakPolarHBondContact O-CB 3.21Å; S263-S267 PolarHBondContact O-N 2.68Å; S263-S267 PolarHBondContact O-OG 3.21Å; D264-S267 PolarHBondContact O-N 2.85Å; D264-S267 VanDerWaalsContact O-N 3.11Å; D264-S267 PolarHBondContact O-OG 3.04Å; R265-S267 VanDerWaalsContact C-N 3.3Å; R265-S267 PolarHBondContact O-N 2.81Å; S267-L269 PolarHBondContact O-N 3.21Å; S267-S270 PolarHBondContact O-N 3.2Å; S267-S270 VanDerWaalsContact O-N 3.13Å; S267-S270 PolarHBondContact O-OG 2.88Å; S267-C272 VanDerWaalsContact O-CB 3.28Å; S267-C272 WeakPolarHBondContact O-CB 3.43Å; S267-C272 PolarHBondContact O-N 2.83Å; S267-C272 PolarHBondContact O-SG 2.77Å; S267-R436 PolarHBondContact OG-NE 2.89Å; S267-R436 PolarHBondContact OG-NH2 3.5Å
268	E	95.1	Very high	93.7	Very high	69 Å²	69	28 Å²	28	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-26.2	176.2	-71.5	174.1	-103.9	0	0	112.6	D264 R265 I266 S270 G271 R277	D264-E268 PolarHBondContact O-N 3.12Å; R265-E268 PolarHBondContact O-N 2.94Å; I266-E268 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 2.87Å; E268-G271 PolarHBondContact O-N 3.24Å; E268-R277 IonicContact OE1-CZ 3.35Å; E268-R277 IonicContact OE1-NH1 2.65Å; E268-R277 PolarHBondContact OE1-NH1 3.42Å; E268-R277 IonicContact OE1-NH2 3.24Å; E268-R277 IonicContact OE2-NH1 2.86Å; E268-R277 IonicContact OE2-NH2 3.05Å
269	L	94.6	Very high	93.4	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.288	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	175.3	-58.7	-179.5	0	0	0	112.7	V219 K220 I222 R265 I266 S267	V219-L269 HydrophobicContact CG1-CD1 4.19Å; K220-L269 VanDerWaalsContact O-CD2 3.29Å; K220-L269 WeakPolarHBondContact O-CD2 3.37Å; I222-L269 HydrophobicContact CB-CB 4.45Å; I222-L269 HydrophobicContact CD1-CB 4.44Å; I222-L269 HydrophobicContact CG1-CB 4.21Å; I222-L269 HydrophobicContact CG1-CD1 4.26Å; R265-L269 PolarHBondContact O-N 2.86Å; I266-L269 HydrophobicContact CD1-CD1 3.86Å; I266-L269 WeakPolarHBondContact O-CB 3.39Å; I266-L269 PolarHBondContact O-N 2.99Å; S267-L269 PolarHBondContact O-N 3.21Å
270	S	93.1	Very high	93.2	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.042	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	9.5	176.2	76.2	0	0	0	0	112.9	S267 E268 C272 G424 V425 I428 H434	S267-S270 PolarHBondContact O-N 3.2Å; S267-S270 VanDerWaalsContact O-N 3.13Å; S267-S270 PolarHBondContact O-OG 2.88Å; E268-S270 PolarHBondContact O-N 2.87Å; S270-C272 PolarHBondContact OG-SG 3.05Å; S270-G424 VanDerWaalsContact OG-CA 3.26Å; S270-G424 WeakPolarHBondContact OG-CA 3.21Å; S270-V425 PolarHBondContact O-N 3.27Å; S270-I428 WeakPolarHBondContact O-CG2 3.4Å; S270-H434 PolarHBondContact OG-NE2 3.49Å
271	G	91.5	Very high	93	Very high	47 Å²	47	26.6 Å²	26.6	49%	0.485	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	6.3	178.5	0	0	0	0	0	115.4	E268 V425	E268-G271 PolarHBondContact O-N 3.24Å; G271-V425 VanDerWaalsContact O-CG2 3.25Å; G271-V425 WeakPolarHBondContact O-CG2 3.3Å
272	C	91.9	Very high	92.8	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.074	15%	0.15	C	C	.	.			trans	-59.8	155.6	173.3	-60.6	0	0	0	0	111.3	S267 S270 A423 H434	S267-C272 VanDerWaalsContact O-CB 3.28Å; S267-C272 WeakPolarHBondContact O-CB 3.43Å; S267-C272 PolarHBondContact O-N 2.83Å; S267-C272 PolarHBondContact O-SG 2.77Å; S270-C272 PolarHBondContact OG-SG 3.05Å; C272-A423 PolarHBondContact SG-O 3.26Å; C272-H434 VanDerWaalsContact SG-CD2 3.53Å
273	T	91.1	Very high	92.5	Very high	78 Å²	78	25.9 Å²	25.9	48%	0.479	15%	0.145	S	C	.	.			trans	-68.1	151.1	173.4	77.2	0	0	0	0	110.9	D275 R436	T273-D275 PolarHBondContact O-N 2.97Å; T273-D275 PolarHBondContact OG1-N 2.82Å; T273-D275 PolarHBondContact OG1-O 3.45Å; T273-R436 VanDerWaalsContact O-CZ 3.26Å; T273-R436 PolarHBondContact O-NH1 3.01Å; T273-R436 PolarHBondContact O-NH2 2.81Å
274	P	86.5	Confident	92.2	Very high	41 Å²	41	27.5 Å²	27.5	27%	0.266	15%	0.153	S	C	.	.	S	Bend	trans	-36.1	-29.8	163.5	-47.4	47.1	0	0	0	119.7	P276 R277 R436	P274-P276 CarbonylContact O-C 3.56Å; P274-R277 VanDerWaalsContact CB-NH1 3.34Å; P274-R277 VanDerWaalsContact CB-NH2 3.31Å; P274-R277 VanDerWaalsContact CG-NH2 3.27Å; P274-R277 WeakPolarHBondContact O-CD 3.33Å; P274-R277 PolarHBondContact O-NH1 2.77Å; P274-R436 VanDerWaalsContact C-NH2 3.25Å; P274-R436 PolarHBondContact O-NH2 3.06Å; P274-R436 VanDerWaalsContact O-NH2 3.14Å
275	D	89.1	Confident	92.1	Very high	33 Å²	33	28 Å²	28	18%	0.176	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-101.4	138.6	-166.7	-58.2	-77.5	0	0	0	112.3	T273 R411 R436	T273-D275 PolarHBondContact O-N 2.97Å; T273-D275 PolarHBondContact OG1-N 2.82Å; T273-D275 PolarHBondContact OG1-O 3.45Å; D275-R411 VanDerWaalsContact OD1-CG 3.24Å; D275-R411 WeakPolarHBondContact OD1-CG 3.15Å; D275-R411 IonicContact OD1-NE 3.28Å; D275-R411 IonicContact OD2-CZ 3.75Å; D275-R411 IonicContact OD2-NE 2.6Å; D275-R411 PolarHBondContact OD2-NE 3.49Å; D275-R411 IonicContact OD2-NH2 3.16Å; D275-R411 PolarHBondContact OD2-NH2 3.46Å; D275-R436 VanDerWaalsContact C-NH2 3.31Å; D275-R436 PolarHBondContact O-NH1 2.99Å; D275-R436 PolarHBondContact O-NH2 3.47Å
276	P	91.9	Very high	92.1	Very high	12 Å²	12	26 Å²	26	8%	0.078	15%	0.148	C	C	.	.	S	Bend	cis	-71.9	143.9	-1.2	31.3	-36.4	0	0	0	111.9	P274 A408 L409 V416 V420 R436	P274-P276 CarbonylContact O-C 3.56Å; P276-A408 HydrophobicContact CB-CB 4.08Å; P276-A408 HydrophobicContact CG-CB 4.25Å; P276-L409 WeakPolarHBondContact CA-O 3.37Å; P276-V416 HydrophobicContact CB-CG2 3.85Å; P276-V420 HydrophobicContact CG-CB 4.48Å; P276-V420 HydrophobicContact CG-CG1 4.27Å; P276-V420 HydrophobicContact CG-CG2 4.28Å; P276-R436 PolarHBondContact O-NH2 2.95Å
277	R	92.2	Very high	92.1	Very high	44 Å²	44	27 Å²	27	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.3	175.4	-79.5	-73.9	-172.3	-136.1	11.9	109.9	E268 P274 N354 A408 L409	E268-R277 IonicContact OE1-CZ 3.35Å; E268-R277 IonicContact OE1-NH1 2.65Å; E268-R277 PolarHBondContact OE1-NH1 3.42Å; E268-R277 IonicContact OE1-NH2 3.24Å; E268-R277 IonicContact OE2-NH1 2.86Å; E268-R277 IonicContact OE2-NH2 3.05Å; P274-R277 VanDerWaalsContact CB-NH1 3.34Å; P274-R277 VanDerWaalsContact CB-NH2 3.31Å; P274-R277 VanDerWaalsContact CG-NH2 3.27Å; P274-R277 WeakPolarHBondContact O-CD 3.33Å; P274-R277 PolarHBondContact O-NH1 2.77Å; R277-N354 VanDerWaalsContact CB-ND2 3.29Å; R277-N354 WeakPolarHBondContact CB-ND2 3.3Å; R277-A408 CarbonylContact O-C 3.49Å; R277-A408 WeakPolarHBondContact O-CA 3.45Å; R277-L409 PolarHBondContact N-O 2.92Å; R277-L409 PolarHBondContact O-N 2.78Å
278	I	92.8	Very high	92.2	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118	174.4	-60.5	-58.3	0	0	0	109.9	S263 D264 A406 A408	S263-I278 WeakPolarHBondContact OG-CD1 3.31Å; S263-I278 WeakPolarHBondContact OG-CG1 3.34Å; D264-I278 HydrophobicContact CB-CG1 4.09Å; D264-I278 PolarHBondContact OD2-N 3.32Å; I278-A406 HydrophobicContact CG2-CB 3.74Å; I278-A408 HydrophobicContact CD1-CB 3.92Å
279	V	91.8	Very high	92.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.6	173.1	-176.6	0	0	0	0	109.2	F281 L331 L357 Q407 L409	V279-F281 HydrophobicContact CB-CE2 4.07Å; V279-F281 HydrophobicContact CG1-CD2 4.13Å; V279-F281 HydrophobicContact CG1-CE2 3.61Å; V279-F281 HydrophobicContact CG1-CZ 4.26Å; V279-F281 PolarHBondContact O-N 2.92Å; V279-L331 HydrophobicContact CG1-CD1 3.54Å; V279-L357 HydrophobicContact CG1-CD1 4.08Å; V279-L357 HydrophobicContact CG1-CD2 3.95Å; V279-L357 HydrophobicContact CG2-CD2 4.37Å; V279-Q407 PolarHBondContact N-O 3.32Å; V279-Q407 WeakPolarHBondContact O-CB 3.41Å; V279-Q407 PolarHBondContact O-N 3.22Å; V279-L409 HydrophobicContact CG2-CB 4.25Å; V279-L409 HydrophobicContact CG2-CD2 4.02Å
280	P	92.2	Very high	92.5	Very high	3 Å²	3	29 Å²	29	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.4	-178.2	32.3	-33.7	0	0	0	111.4	L261 A332 R335 V404 R405	L261-P280 HydrophobicContact CD2-CB 4.41Å; P280-A332 HydrophobicContact CB-CB 4.03Å; P280-A332 HydrophobicContact CG-CB 4.17Å; P280-A332 WeakPolarHBondContact O-CB 3.3Å; P280-A332 PolarHBondContact O-N 3.15Å; P280-R335 HydrophobicContact CG-CG 4.27Å; P280-V404 HydrophobicContact CB-CG1 3.6Å; P280-R405 WeakPolarHBondContact CA-O 3.4Å
281	F	90.1	Very high	92.7	Very high	25 Å²	25	34.2 Å²	34.2	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.3	170.5	-77.4	-91.7	0	0	0	109.9	V279 F310 V330 L331 L360 V404 R405 Q407	V279-F281 HydrophobicContact CB-CE2 4.07Å; V279-F281 HydrophobicContact CG1-CD2 4.13Å; V279-F281 HydrophobicContact CG1-CE2 3.61Å; V279-F281 HydrophobicContact CG1-CZ 4.26Å; V279-F281 PolarHBondContact O-N 2.92Å; F281-F310 HydrophobicContact CB-CZ 4.33Å; F281-F310 AromaticContact CD1-CE2 3.91Å; F281-F310 HydrophobicContact CD1-CE2 3.91Å; F281-F310 AromaticContact CD1-CZ 3.78Å; F281-F310 HydrophobicContact CD1-CZ 3.78Å; F281-F310 HydrophobicContact CD2-CZ 4.07Å; F281-F310 AromaticContact CE1-CE2 3.95Å; F281-F310 HydrophobicContact CE1-CE2 3.95Å; F281-F310 HydrophobicContact CE1-CZ 4.04Å; F281-F310 HydrophobicContact CE2-CZ 4.31Å; F281-F310 HydrophobicContact CG-CE2 4.39Å; F281-F310 AromaticContact CG-CZ 3.79Å; F281-F310 HydrophobicContact CG-CZ 3.79Å; F281-F310 HydrophobicContact CZ-CE2 4.46Å; F281-F310 HydrophobicContact CZ-CZ 4.29Å; F281-V330 CarbonylContact C-O 3.51Å; F281-V330 WeakPolarHBondContact CA-O 3.47Å; F281-L331 HydrophobicContact CZ-CD1 4.48Å; F281-L360 HydrophobicContact CZ-CD2 4.36Å; F281-V404 CarbonylContact O-C 3.48Å; F281-V404 WeakPolarHBondContact O-CA 3.46Å; F281-R405 PolarHBondContact N-O 2.93Å; F281-R405 PolarHBondContact O-N 3.39Å; F281-Q407 HydrophobicContact CD2-CB 3.71Å; F281-Q407 HydrophobicContact CD2-CG 4.23Å; F281-Q407 HydrophobicContact CE2-CB 4.11Å; F281-Q407 HydrophobicContact CE2-CG 4.27Å
282	R	91.2	Very high	93	Very high	27 Å²	27	34.7 Å²	34.7	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.3	173.7	-177.7	179.6	72.1	124.9	3.3	109.9	D284 V330 A332 G337 P340 A402 G403 V404	R282-D284 IonicContact CZ-OD1 3.71Å; R282-D284 IonicContact CZ-OD2 3.19Å; R282-D284 VanDerWaalsContact CZ-OD2 3.25Å; R282-D284 IonicContact NE-OD1 2.66Å; R282-D284 IonicContact NE-OD2 3.94Å; R282-D284 IonicContact NH1-OD1 3.94Å; R282-D284 PolarHBondContact NH1-OD1 3.26Å; R282-D284 IonicContact NH1-OD2 3.61Å; R282-D284 IonicContact NH2-OD1 3.74Å; R282-D284 IonicContact NH2-OD2 3.83Å; R282-D284 PolarHBondContact NH2-OD2 2.96Å; R282-V330 HydrophobicContact CB-CG2 4.07Å; R282-V330 PolarHBondContact N-O 2.82Å; R282-V330 WeakPolarHBondContact O-CG2 3.2Å; R282-V330 PolarHBondContact O-N 3.28Å; R282-V330 VanDerWaalsContact O-O 3.11Å; R282-A332 HydrophobicContact CB-CB 3.94Å; R282-G337 WeakPolarHBondContact CD-O 3.32Å; R282-P340 VanDerWaalsContact NH1-CA 3.32Å; R282-P340 VanDerWaalsContact NH1-N 3.13Å; R282-A402 HydrophobicContact CG-CB 4.06Å; R282-G403 CarbonylContact C-O 3.38Å; R282-G403 WeakPolarHBondContact CA-O 3.47Å; R282-V404 HydrophobicContact CB-CG2 4.31Å; R282-V404 HydrophobicContact CG-CG2 4.41Å
283	G	89.9	Confident	93.2	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.7	170	0	0	0	0	0	110.1	N328 A402 G403	G283-N328 WeakPolarHBondContact CA-O 3.14Å; G283-A402 CarbonylContact O-C 3.52Å; G283-A402 VanDerWaalsContact O-CA 3.28Å; G283-A402 WeakPolarHBondContact O-CA 3.42Å; G283-G403 PolarHBondContact N-O 3.35Å; G283-G403 PolarHBondContact O-N 3.11Å
284	D	90.1	Very high	93.5	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.193	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.8	171.4	-59.4	-57.5	0	0	0	109.6	R282 P327 N328	R282-D284 IonicContact CZ-OD1 3.71Å; R282-D284 IonicContact CZ-OD2 3.19Å; R282-D284 VanDerWaalsContact CZ-OD2 3.25Å; R282-D284 IonicContact NE-OD1 2.66Å; R282-D284 IonicContact NE-OD2 3.94Å; R282-D284 IonicContact NH1-OD1 3.94Å; R282-D284 PolarHBondContact NH1-OD1 3.26Å; R282-D284 IonicContact NH1-OD2 3.61Å; R282-D284 IonicContact NH2-OD1 3.74Å; R282-D284 IonicContact NH2-OD2 3.83Å; R282-D284 PolarHBondContact NH2-OD2 2.96Å; D284-P327 WeakPolarHBondContact O-CA 3.49Å; D284-N328 PolarHBondContact N-OD1 2.91Å; D284-N328 PolarHBondContact O-N 3.37Å
285	Y	92.8	Very high	94	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.8	169.1	-64	-91.6	0	0	0	110.3	W324 L325 P327 G400 P401	Y285-W324 HydrophobicContact CD1-CB 4.07Å; Y285-W324 HydrophobicContact CD1-CD2 4.4Å; Y285-W324 AromaticContact CD1-CE3 3.64Å; Y285-W324 HydrophobicContact CD1-CE3 3.64Å; Y285-W324 HydrophobicContact CD1-CZ3 4.49Å; Y285-W324 AromaticContact CD2-CE3 3.78Å; Y285-W324 HydrophobicContact CD2-CE3 3.78Å; Y285-W324 AromaticContact CD2-CZ3 3.86Å; Y285-W324 HydrophobicContact CD2-CZ3 3.86Å; Y285-W324 AromaticContact CE1-CE3 3.92Å; Y285-W324 HydrophobicContact CE1-CE3 3.92Å; Y285-W324 HydrophobicContact CE2-CE3 4.08Å; Y285-W324 HydrophobicContact CE2-CZ3 4Å; Y285-W324 HydrophobicContact CG-CD2 4.34Å; Y285-W324 AromaticContact CG-CE3 3.54Å; Y285-W324 HydrophobicContact CG-CE3 3.54Å; Y285-W324 HydrophobicContact CG-CZ3 4.11Å; Y285-L325 WeakPolarHBondContact CA-O 3.33Å; Y285-P327 HydrophobicContact CD1-CB 4.2Å; Y285-P327 HydrophobicContact CD2-CB 4.3Å; Y285-P327 HydrophobicContact CE1-CB 3.81Å; Y285-P327 HydrophobicContact CE1-CG 3.95Å; Y285-P327 VanDerWaalsContact CE1-N 3.34Å; Y285-P327 HydrophobicContact CE2-CB 3.9Å; Y285-P327 HydrophobicContact CE2-CG 4.37Å; Y285-P327 HydrophobicContact CG-CB 4.44Å; Y285-G400 CarbonylContact O-C 3.54Å; Y285-G400 WeakPolarHBondContact O-CA 3.2Å; Y285-G400 PolarHBondContact O-N 3.49Å; Y285-P401 WeakPolarHBondContact CB-O 3.28Å; Y285-P401 WeakPolarHBondContact CD2-O 3.41Å; Y285-P401 PolarHBondContact N-O 3.46Å
286	L	94.6	Very high	94.4	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	162.3	164.1	-51.7	166.7	0	0	0	108.1	W324 L325 L378 T381 I397 L398	L286-W324 CarbonylContact O-C 3.44Å; L286-W324 WeakPolarHBondContact O-CA 3.46Å; L286-L325 HydrophobicContact CB-CB 4.14Å; L286-L325 HydrophobicContact CB-CD1 4.43Å; L286-L325 PolarHBondContact N-O 3.29Å; L286-L325 PolarHBondContact O-N 2.89Å; L286-L378 HydrophobicContact CD1-CD1 3.56Å; L286-L378 HydrophobicContact CD2-CD1 4.22Å; L286-T381 HydrophobicContact CD1-CG2 3.82Å; L286-I397 HydrophobicContact CB-CG2 3.58Å; L286-I397 HydrophobicContact CD1-CG2 3.96Å; L286-I397 HydrophobicContact CD2-CG2 4.33Å; L286-I397 HydrophobicContact CG-CG2 4.16Å; L286-L398 CarbonylContact C-O 3.6Å; L286-L398 WeakPolarHBondContact CA-O 3.3Å
287	L	96.8	Very high	94.6	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.199	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.4	176.3	-58.9	174.1	0	0	0	109.4	I323 W324 I397 L398	L287-I323 WeakPolarHBondContact CA-O 3.47Å; L287-W324 HydrophobicContact CD2-CD2 4.36Å; L287-W324 HydrophobicContact CD2-CG 3.78Å; L287-W324 VanDerWaalsContact CD2-NE1 3.29Å; L287-I397 CarbonylContact O-C 3.59Å; L287-I397 WeakPolarHBondContact O-CA 3.25Å; L287-L398 HydrophobicContact CB-CB 4.24Å; L287-L398 PolarHBondContact N-O 2.96Å; L287-L398 PolarHBondContact O-N 3.18Å
288	L	97.4	Very high	94.8	Very high	6 Å²	6	37 Å²	37	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.3	164.7	-164.2	58.1	0	0	0	108.6	K292 L295 I323 I392 D396 I397	L288-K292 HydrophobicContact CD1-CB 3.84Å; L288-K292 HydrophobicContact CD2-CB 4.09Å; L288-K292 VanDerWaalsContact CD2-O 3.24Å; L288-K292 WeakPolarHBondContact CD2-O 3.38Å; L288-K292 HydrophobicContact CG-CB 3.7Å; L288-L295 HydrophobicContact CD2-CB 4.49Å; L288-I323 HydrophobicContact CB-CB 4.03Å; L288-I323 HydrophobicContact CB-CG2 4.47Å; L288-I323 HydrophobicContact CD2-CB 4.46Å; L288-I323 PolarHBondContact N-O 2.85Å; L288-I392 HydrophobicContact CD1-CG2 4.4Å; L288-D396 HydrophobicContact CD1-CB 4.08Å; L288-I397 HydrophobicContact CD1-CD1 3.76Å
289	K	97.8	Very high	95.1	Very high	60 Å²	60	36.7 Å²	36.7	26%	0.261	18%	0.178	S	C	.	.			trans	-58	145	175.6	-81.4	-173.2	177.9	174.1	0	111	E291 K292 C293 S395 D396 L398	K289-E291 VanDerWaalsContact C-N 3.25Å; K289-E291 HydrophobicContact CB-CG 4.49Å; K289-E291 VanDerWaalsContact CD-OE1 3.32Å; K289-E291 WeakPolarHBondContact CD-OE1 3.31Å; K289-E291 PolarHBondContact O-N 3.18Å; K289-E291 VanDerWaalsContact O-N 3.15Å; K289-K292 WeakPolarHBondContact O-CA 3.45Å; K289-K292 PolarHBondContact O-N 2.99Å; K289-C293 PolarHBondContact O-N 3.26Å; K289-S395 WeakPolarHBondContact CD-O 3.46Å; K289-S395 WeakPolarHBondContact CE-O 3.45Å; K289-S395 PolarHBondContact NZ-O 3.29Å; K289-D396 WeakPolarHBondContact CB-O 3.43Å; K289-D396 WeakPolarHBondContact CG-O 3.27Å; K289-D396 PolarHBondContact N-O 2.87Å; K289-L398 HydrophobicContact CG-CD1 4.01Å; K289-L398 HydrophobicContact CG-CD2 4.08Å; K289-L398 HydrophobicContact CG-CG 3.78Å
290	P	97.4	Very high	95.4	Very high	101 Å²	101	36.6 Å²	36.6	66%	0.656	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-51.1	-42	-176.7	-28.7	35.9	0	0	0	114	K292 C293	P290-K292 PolarHBondContact O-N 3.11Å; P290-K292 VanDerWaalsContact O-N 3.14Å; P290-C293 PolarHBondContact O-N 2.98Å
291	E	97	Very high	95.6	Very high	116 Å²	116	36.7 Å²	36.7	54%	0.542	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.9	-9.4	179.3	65.4	-90	-153.2	0	0	114.2	K289 Y294	K289-E291 VanDerWaalsContact C-N 3.25Å; K289-E291 HydrophobicContact CB-CG 4.49Å; K289-E291 VanDerWaalsContact CD-OE1 3.32Å; K289-E291 WeakPolarHBondContact CD-OE1 3.31Å; K289-E291 PolarHBondContact O-N 3.18Å; K289-E291 VanDerWaalsContact O-N 3.15Å; E291-Y294 VanDerWaalsContact O-CD1 3.25Å; E291-Y294 WeakPolarHBondContact O-CD1 3.12Å; E291-Y294 WeakPolarHBondContact O-CE1 3.34Å
292	K	97.7	Very high	95.8	Very high	56 Å²	56	35.7 Å²	35.7	24%	0.243	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-111.9	-6.5	177.4	-64.2	-60.8	-167.2	172.7	0	113.4	L288 K289 P290 Y294 L295 D396	L288-K292 HydrophobicContact CD1-CB 3.84Å; L288-K292 HydrophobicContact CD2-CB 4.09Å; L288-K292 VanDerWaalsContact CD2-O 3.24Å; L288-K292 WeakPolarHBondContact CD2-O 3.38Å; L288-K292 HydrophobicContact CG-CB 3.7Å; K289-K292 WeakPolarHBondContact O-CA 3.45Å; K289-K292 PolarHBondContact O-N 2.99Å; P290-K292 PolarHBondContact O-N 3.11Å; P290-K292 VanDerWaalsContact O-N 3.14Å; K292-Y294 HydrophobicContact CD-CE1 4.32Å; K292-Y294 PolarHBondContact O-N 2.94Å; K292-L295 HydrophobicContact CB-CD1 4.24Å; K292-L295 HydrophobicContact CD-CD1 4.46Å; K292-L295 WeakPolarHBondContact O-CB 3.43Å; K292-L295 VanDerWaalsContact O-CG 3.27Å; K292-L295 WeakPolarHBondContact O-CG 3.34Å; K292-L295 PolarHBondContact O-N 3.41Å; K292-D396 WeakPolarHBondContact CE-OD1 3.32Å; K292-D396 HydrophobicContact CG-CB 3.96Å
293	C	97.3	Very high	96	Very high	23 Å²	23	34.9 Å²	34.9	16%	0.155	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.1	-23	-179.8	-71.1	0	0	0	0	113.9	K289 P290 L295 V296 I323	K289-C293 PolarHBondContact O-N 3.26Å; P290-C293 PolarHBondContact O-N 2.98Å; C293-L295 PolarHBondContact O-N 2.86Å; C293-L295 VanDerWaalsContact O-N 3.1Å; C293-V296 PolarHBondContact O-N 2.87Å; C293-I323 HydrophobicContact CB-CG1 3.9Å
294	Y	96.8	Very high	95.9	Very high	121 Å²	121	36.5 Å²	36.5	48%	0.475	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.8	-17.1	175.8	73.1	-95.2	0	0	0	114.3	Y178 E291 K292 V296	Y178-Y294 HydrophobicContact CE1-CE2 4.01Å; Y178-Y294 AromaticContact CE2-CD2 3.69Å; Y178-Y294 HydrophobicContact CE2-CD2 3.69Å; Y178-Y294 AromaticContact CE2-CE2 3.87Å; Y178-Y294 HydrophobicContact CE2-CE2 3.87Å; Y178-Y294 AromaticContact CZ-CD2 3.78Å; Y178-Y294 AromaticContact CZ-CE2 3.5Å; Y178-Y294 WeakPolarHBondContact OH-CE2 3.37Å; E291-Y294 VanDerWaalsContact O-CD1 3.25Å; E291-Y294 WeakPolarHBondContact O-CD1 3.12Å; E291-Y294 WeakPolarHBondContact O-CE1 3.34Å; K292-Y294 HydrophobicContact CD-CE1 4.32Å; K292-Y294 PolarHBondContact O-N 2.94Å; Y294-V296 PolarHBondContact O-N 3.43Å
295	L	97.6	Very high	95.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.3	-19.2	179.2	-65.1	174.3	0	0	0	113.1	Y178 L288 K292 C293 I389 E391 I392	Y178-L295 HydrophobicContact CD1-CD2 3.42Å; Y178-L295 VanDerWaalsContact CD1-CD2 3.42Å; Y178-L295 HydrophobicContact CD2-CB 4.47Å; Y178-L295 HydrophobicContact CD2-CD2 3.83Å; Y178-L295 HydrophobicContact CE1-CD2 3.82Å; Y178-L295 HydrophobicContact CE2-CD2 4.19Å; Y178-L295 HydrophobicContact CG-CB 4.5Å; Y178-L295 HydrophobicContact CG-CD2 3.43Å; Y178-L295 VanDerWaalsContact CG-CD2 3.43Å; L288-L295 HydrophobicContact CD2-CB 4.49Å; K292-L295 HydrophobicContact CB-CD1 4.24Å; K292-L295 HydrophobicContact CD-CD1 4.46Å; K292-L295 WeakPolarHBondContact O-CB 3.43Å; K292-L295 VanDerWaalsContact O-CG 3.27Å; K292-L295 WeakPolarHBondContact O-CG 3.34Å; K292-L295 PolarHBondContact O-N 3.41Å; C293-L295 PolarHBondContact O-N 2.86Å; C293-L295 VanDerWaalsContact O-N 3.1Å; L295-I389 HydrophobicContact CB-CG2 4.35Å; L295-I389 HydrophobicContact CD1-CG2 4.32Å; L295-E391 HydrophobicContact CD2-CB 4.36Å; L295-I392 HydrophobicContact CD1-CG2 3.88Å
296	V	97.6	Very high	94.2	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	22%	0.216	C	C	.	.			trans	-130.5	119.5	-173.1	-178.2	0	0	0	0	109.9	C293 Y294 G298 I300 F315 P317 I323 I389	C293-V296 PolarHBondContact O-N 2.87Å; Y294-V296 PolarHBondContact O-N 3.43Å; V296-G298 WeakPolarHBondContact CG1-O 3.46Å; V296-I300 HydrophobicContact CG1-CD1 4.29Å; V296-F315 HydrophobicContact CG1-CB 3.98Å; V296-F315 HydrophobicContact CG2-CB 4.17Å; V296-F315 HydrophobicContact CG2-CD1 3.69Å; V296-F315 HydrophobicContact CG2-CE1 4.41Å; V296-F315 HydrophobicContact CG2-CG 4.15Å; V296-P317 HydrophobicContact CG1-CG 4.15Å; V296-I323 HydrophobicContact CB-CD1 4.17Å; V296-I323 HydrophobicContact CB-CG1 4.26Å; V296-I323 HydrophobicContact CB-CG2 4.07Å; V296-I323 HydrophobicContact CG1-CD1 4.28Å; V296-I323 HydrophobicContact CG1-CG2 4.13Å; V296-I323 HydrophobicContact CG2-CG2 4.08Å; V296-I389 HydrophobicContact CG2-CD1 3.49Å; V296-I389 VanDerWaalsContact CG2-CD1 3.49Å
297	K	96.1	Very high	92.7	Very high	115 Å²	115	48.6 Å²	48.6	50%	0.5	24%	0.243	S	C	.	.	S	Bend	trans	-97.6	-37.2	177.4	-63.1	-179.2	179.8	177.2	0	112.9	E176	E176-K297 PolarHBondContact OE2-N 3.2Å
298	G	96.8	Very high	91.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	-132.5	-170.3	-177.5	0	0	0	0	0	112.2	C134 E176 V296 P317	C134-G298 WeakPolarHBondContact O-CA 3.46Å; E176-G298 WeakPolarHBondContact OE1-CA 3.37Å; E176-G298 PolarHBondContact OE1-N 2.86Å; V296-G298 WeakPolarHBondContact CG1-O 3.46Å; G298-P317 WeakPolarHBondContact O-CD 3.26Å; G298-P317 WeakPolarHBondContact O-CG 3.42Å
299	N	97.9	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.7	178.9	-66	-82	0	0	0	110.5	C134 G135 K136 L137 Y301 F315 T316	C134-N299 PolarHBondContact SG-ND2 2.96Å; G135-N299 WeakPolarHBondContact O-CB 2.97Å; G135-N299 PolarHBondContact O-N 2.83Å; G135-N299 VanDerWaalsContact O-N 3.14Å; G135-N299 PolarHBondContact O-ND2 3.42Å; K136-N299 CarbonylContact C-O 3.54Å; K136-N299 VanDerWaalsContact CA-O 3.27Å; K136-N299 WeakPolarHBondContact CA-O 3.42Å; K136-N299 HydrophobicContact CB-CB 3.73Å; K136-N299 HydrophobicContact CG-CB 3.83Å; L137-N299 PolarHBondContact N-O 3.2Å; N299-Y301 HydrophobicContact CB-CD1 3.93Å; N299-Y301 HydrophobicContact CB-CE1 3.66Å; N299-F315 WeakPolarHBondContact CA-O 3.3Å; N299-T316 WeakPolarHBondContact OD1-CG2 3.28Å
300	I	98.1	Very high	87.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.4	177.2	-58.8	165.4	0	0	0	109.1	V139 E176 C179 V296 H314 F315 F388 I389	V139-I300 HydrophobicContact CG2-CG2 4.14Å; E176-I300 HydrophobicContact CB-CD1 4.32Å; E176-I300 HydrophobicContact CG-CD1 4.01Å; E176-I300 HydrophobicContact CG-CG1 4.13Å; C179-I300 HydrophobicContact CB-CD1 4.06Å; V296-I300 HydrophobicContact CG1-CD1 4.29Å; I300-H314 VanDerWaalsContact O-CB 3.31Å; I300-H314 WeakPolarHBondContact O-CB 3.42Å; I300-F315 HydrophobicContact CB-CB 4.19Å; I300-F315 HydrophobicContact CB-CD2 3.97Å; I300-F315 HydrophobicContact CB-CG 4.45Å; I300-F315 HydrophobicContact CG2-CD2 4.22Å; I300-F315 PolarHBondContact N-O 2.97Å; I300-F315 PolarHBondContact O-N 2.86Å; I300-F388 HydrophobicContact CG2-CB 4.27Å; I300-F388 HydrophobicContact CG2-CD1 4.19Å; I300-F388 HydrophobicContact CG2-CG 4.44Å; I300-I389 HydrophobicContact CD1-CD1 3.98Å
301	Y	96.5	Very high	86.4	Confident	5 Å²	5	48 Å²	48	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.1	-167.7	-80.2	42.9	0	0	0	110.3	Y102 K136 L137 I138 V139 N299 L311 H314 T316	Y102-Y301 HydrophobicContact CE2-CD2 4.38Å; K136-Y301 HydrophobicContact CD-CD1 4.14Å; K136-Y301 HydrophobicContact CD-CD2 3.93Å; K136-Y301 HydrophobicContact CD-CE1 4.49Å; K136-Y301 HydrophobicContact CD-CE2 4.29Å; K136-Y301 HydrophobicContact CD-CG 3.91Å; K136-Y301 HydrophobicContact CG-CD1 4.15Å; K136-Y301 HydrophobicContact CG-CG 4.22Å; L137-Y301 PolarHBondContact O-N 2.83Å; I138-Y301 CarbonylContact C-O 3.59Å; I138-Y301 VanDerWaalsContact CA-O 3.31Å; I138-Y301 WeakPolarHBondContact CA-O 3.39Å; V139-Y301 PolarHBondContact N-O 2.9Å; N299-Y301 HydrophobicContact CB-CD1 3.93Å; N299-Y301 HydrophobicContact CB-CE1 3.66Å; Y301-L311 HydrophobicContact CD2-CD2 3.23Å; Y301-L311 HydrophobicContact CE2-CD2 3.55Å; Y301-L311 HydrophobicContact CG-CD2 4.18Å; Y301-H314 HydrophobicContact CD1-CB 3.81Å; Y301-H314 AromaticContact CD1-CD2 3.92Å; Y301-H314 HydrophobicContact CE1-CB 4.05Å; Y301-H314 AromaticContact CE1-CD2 3.24Å; Y301-H314 WeakPolarHBondContact CE1-CD2 3.33Å; Y301-H314 AromaticContact CE1-CG 3.82Å; Y301-H314 AromaticContact CE1-NE2 4Å; Y301-H314 AromaticContact CE2-CD2 3.81Å; Y301-H314 AromaticContact CE2-NE2 3.85Å; Y301-H314 HydrophobicContact CG-CB 4.04Å; Y301-H314 AromaticContact CZ-CD2 3.16Å; Y301-H314 AromaticContact CZ-CG 3.86Å; Y301-H314 AromaticContact CZ-NE2 3.41Å; Y301-H314 PolarHBondContact OH-CD2 3.23Å; Y301-H314 VanDerWaalsContact OH-CD2 3.31Å; Y301-H314 PolarHBondContact OH-NE2 2.84Å; Y301-T316 PolarHBondContact OH-OG1 3.36Å
302	P	94.8	Very high	85.2	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	159	173	31.8	-35.6	0	0	0	111.5	I138 L311 Y384 F388	I138-P302 WeakPolarHBondContact CG2-O 3.23Å; P302-L311 HydrophobicContact CG-CD1 4.13Å; P302-L311 HydrophobicContact CG-CG 4.31Å; P302-Y384 WeakPolarHBondContact CB-OH 3.4Å; P302-F388 HydrophobicContact CB-CE1 4.44Å; P302-F388 HydrophobicContact CB-CE2 4.32Å; P302-F388 HydrophobicContact CB-CZ 3.66Å
303	V	94.1	Very high	84.4	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.055	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-61.4	130.6	163.9	-172.4	0	0	0	0	108.7	I138 V139 A140 E145 R148 L149	I138-V303 HydrophobicContact CG2-CG2 4.45Å; V139-V303 WeakPolarHBondContact O-CG2 3.48Å; A140-V303 HydrophobicContact CB-CG2 3.89Å; E145-V303 HydrophobicContact CB-CB 4.23Å; E145-V303 HydrophobicContact CB-CG1 4.48Å; E145-V303 HydrophobicContact CB-CG2 4Å; R148-V303 HydrophobicContact CB-CG1 3.82Å; L149-V303 HydrophobicContact CB-CG1 4.39Å; L149-V303 HydrophobicContact CB-CG2 4.17Å; L149-V303 HydrophobicContact CD1-CG2 3.73Å
304	P	87.9	Confident	84.2	Confident	40 Å²	40	39.9 Å²	39.9	26%	0.26	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-68.2	143.3	179.8	30.3	-34.4	0	0	0	110	Y102 L152 L311	Y102-P304 HydrophobicContact CD1-CB 4.25Å; Y102-P304 HydrophobicContact CD1-CG 3.94Å; Y102-P304 HydrophobicContact CE1-CB 4.03Å; Y102-P304 HydrophobicContact CE1-CG 3.71Å; L152-P304 HydrophobicContact CD2-CG 3.89Å; P304-L311 HydrophobicContact CB-CD1 4.27Å
305	D	79.6	Confident	84.2	Confident	33 Å²	33	34.2 Å²	34.2	18%	0.176	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-99.2	120.1	171.3	-165.5	-41.4	0	0	0	108.8	R148 R307 F308	R148-D305 IonicContact NH1-OD1 2.78Å; R148-D305 IonicContact NH1-OD2 2.72Å; R148-D305 PolarHBondContact NH1-OD2 3.43Å; D305-R307 PolarHBondContact O-N 3.46Å; D305-R307 VanDerWaalsContact O-N 3.08Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 IonicContact OD1-CZ 3.69Å; D305-R307 PolarHBondContact OD1-N 3.14Å; D305-R307 IonicContact OD1-NE 2.74Å; D305-R307 PolarHBondContact OD1-NE 3.48Å; D305-R307 IonicContact OD1-NH2 3.94Å; D305-R307 IonicContact OD2-CZ 3.6Å; D305-R307 IonicContact OD2-NE 3.66Å; D305-R307 IonicContact OD2-NH2 2.73Å; D305-R307 PolarHBondContact OD2-NH2 3.32Å; D305-F308 HydrophobicContact CB-CD2 3.47Å; D305-F308 VanDerWaalsContact CB-CD2 3.47Å; D305-F308 HydrophobicContact CB-CE2 3.88Å; D305-F308 HydrophobicContact CB-CG 4.43Å; D305-F308 VanDerWaalsContact CG-CE2 3.48Å; D305-F308 PolarHBondContact O-N 2.89Å; D305-F308 WeakPolarHBondContact OD2-CE2 3.4Å
306	S	67.3	Low	84.1	Confident	115 Å²	115	34.1 Å²	34.1	80%	0.804	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.8	-177.7	54.5	0	0	0	0	113.9	F308	S306-F308 VanDerWaalsContact C-N 3.28Å
307	R	64.5	Low	84.1	Confident	168 Å²	168	34.1 Å²	34.1	63%	0.634	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.8	176.1	-61.1	171	-66.4	179	2.5	112.7	D305	D305-R307 PolarHBondContact O-N 3.46Å; D305-R307 VanDerWaalsContact O-N 3.08Å; D305-R307 WeakPolarHBondContact OD1-CB 3.36Å; D305-R307 IonicContact OD1-CZ 3.69Å; D305-R307 PolarHBondContact OD1-N 3.14Å; D305-R307 IonicContact OD1-NE 2.74Å; D305-R307 PolarHBondContact OD1-NE 3.48Å; D305-R307 IonicContact OD1-NH2 3.94Å; D305-R307 IonicContact OD2-CZ 3.6Å; D305-R307 IonicContact OD2-NE 3.66Å; D305-R307 IonicContact OD2-NH2 2.73Å; D305-R307 PolarHBondContact OD2-NH2 3.32Å
308	F	66.8	Low	84.1	Confident	70 Å²	70	30.5 Å²	30.5	31%	0.307	16%	0.161	S	C	.	.			trans	-125.9	135.4	-172.9	-51.7	-50.5	0	0	0	112	D305 S306 F310 Y367	D305-F308 HydrophobicContact CB-CD2 3.47Å; D305-F308 VanDerWaalsContact CB-CD2 3.47Å; D305-F308 HydrophobicContact CB-CE2 3.88Å; D305-F308 HydrophobicContact CB-CG 4.43Å; D305-F308 VanDerWaalsContact CG-CE2 3.48Å; D305-F308 PolarHBondContact O-N 2.89Å; D305-F308 WeakPolarHBondContact OD2-CE2 3.4Å; S306-F308 VanDerWaalsContact C-N 3.28Å; F308-F310 VanDerWaalsContact C-N 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å; F308-Y367 HydrophobicContact CB-CD2 4.48Å; F308-Y367 HydrophobicContact CB-CE1 4.31Å; F308-Y367 HydrophobicContact CB-CE2 4.11Å; F308-Y367 HydrophobicContact CD1-CD1 4.02Å; F308-Y367 AromaticContact CD1-CD2 3.27Å; F308-Y367 HydrophobicContact CD1-CD2 3.27Å; F308-Y367 HydrophobicContact CD1-CE1 4.4Å; F308-Y367 AromaticContact CD1-CE2 3.75Å; F308-Y367 HydrophobicContact CD1-CE2 3.75Å; F308-Y367 AromaticContact CD1-CG 3.43Å; F308-Y367 HydrophobicContact CD1-CG 3.43Å; F308-Y367 VanDerWaalsContact CD1-CG 3.43Å; F308-Y367 HydrophobicContact CD2-CD2 4.11Å; F308-Y367 AromaticContact CD2-CE2 3.94Å; F308-Y367 HydrophobicContact CD2-CE2 3.94Å; F308-Y367 AromaticContact CE1-CD2 3.41Å; F308-Y367 HydrophobicContact CE1-CD2 3.41Å; F308-Y367 VanDerWaalsContact CE1-CD2 3.41Å; F308-Y367 HydrophobicContact CE1-CE2 4.19Å; F308-Y367 AromaticContact CE1-CG 3.71Å; F308-Y367 HydrophobicContact CE1-CG 3.71Å; F308-Y367 HydrophobicContact CE2-CD2 4.27Å; F308-Y367 HydrophobicContact CE2-CE2 4.42Å; F308-Y367 AromaticContact CG-CD2 3.7Å; F308-Y367 HydrophobicContact CG-CD2 3.7Å; F308-Y367 HydrophobicContact CG-CE1 4.5Å; F308-Y367 AromaticContact CG-CE2 3.65Å; F308-Y367 HydrophobicContact CG-CE2 3.65Å; F308-Y367 HydrophobicContact CG-CG 4.17Å; F308-Y367 AromaticContact CZ-CD2 3.94Å; F308-Y367 HydrophobicContact CZ-CD2 3.94Å
309	P	58.8	Low	84.1	Confident	58 Å²	58	34 Å²	34	38%	0.377	18%	0.178	S	C	.	.	S	Bend	trans	-77.3	-16.3	-176.3	27.5	-33	0	0	0	114.2	L415	P309-L415 HydrophobicContact CB-CD1 3.45Å; P309-L415 VanDerWaalsContact CB-CD1 3.45Å; P309-L415 HydrophobicContact CG-CD1 4.41Å
310	F	65.9	Low	84	Confident	24 Å²	24	40 Å²	40	11%	0.105	21%	0.21	C	C	.	.	S	Bend	trans	-116.5	142	-176.9	-56.2	-64.3	0	0	0	111.6	F281 F308 A329	F281-F310 HydrophobicContact CB-CZ 4.33Å; F281-F310 AromaticContact CD1-CE2 3.91Å; F281-F310 HydrophobicContact CD1-CE2 3.91Å; F281-F310 AromaticContact CD1-CZ 3.78Å; F281-F310 HydrophobicContact CD1-CZ 3.78Å; F281-F310 HydrophobicContact CD2-CZ 4.07Å; F281-F310 AromaticContact CE1-CE2 3.95Å; F281-F310 HydrophobicContact CE1-CE2 3.95Å; F281-F310 HydrophobicContact CE1-CZ 4.04Å; F281-F310 HydrophobicContact CE2-CZ 4.31Å; F281-F310 HydrophobicContact CG-CE2 4.39Å; F281-F310 AromaticContact CG-CZ 3.79Å; F281-F310 HydrophobicContact CG-CZ 3.79Å; F281-F310 HydrophobicContact CZ-CE2 4.46Å; F281-F310 HydrophobicContact CZ-CZ 4.29Å; F308-F310 VanDerWaalsContact C-N 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å; F310-A329 HydrophobicContact CB-CB 4.05Å; F310-A329 HydrophobicContact CD1-CB 4.37Å; F310-A329 HydrophobicContact CD2-CB 3.46Å; F310-A329 VanDerWaalsContact CD2-CB 3.46Å; F310-A329 HydrophobicContact CE2-CB 3.97Å; F310-A329 HydrophobicContact CG-CB 3.7Å
311	L	65.4	Low	83.8	Confident	41 Å²	41	42.2 Å²	42.2	22%	0.215	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-70.8	133.9	172.2	-170	72.7	0	0	0	109.7	Y102 Y301 P302 P304	Y102-L311 HydrophobicContact CE1-CD1 4.19Å; Y301-L311 HydrophobicContact CD2-CD2 3.23Å; Y301-L311 HydrophobicContact CE2-CD2 3.55Å; Y301-L311 HydrophobicContact CG-CD2 4.18Å; P302-L311 HydrophobicContact CG-CD1 4.13Å; P302-L311 HydrophobicContact CG-CG 4.31Å; P304-L311 HydrophobicContact CB-CD1 4.27Å
312	G	71	Confident	83.9	Confident	13 Å²	13	43.2 Å²	43.2	13%	0.134	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60.7	170.9	176.1	0	0	0	0	0	113.8	H314	G312-H314 PolarHBondContact O-N 3.32Å; G312-H314 PolarHBondContact O-ND1 3.48Å
313	V	82.5	Confident	84	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-56.5	128.6	-178.8	-171.3	0	0	0	0	110.3	L325 T381 Y384 L385	V313-L325 HydrophobicContact CG1-CB 4.48Å; V313-T381 HydrophobicContact CG1-CG2 4.02Å; V313-T381 HydrophobicContact CG2-CG2 4.24Å; V313-Y384 HydrophobicContact CB-CD1 4.29Å; V313-Y384 HydrophobicContact CB-CE1 4.37Å; V313-L385 HydrophobicContact CB-CD2 4.2Å; V313-L385 HydrophobicContact CG1-CD1 3.96Å; V313-L385 HydrophobicContact CG1-CD2 3.69Å; V313-L385 HydrophobicContact CG1-CG 3.98Å
314	H	91.3	Very high	84.1	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.032	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	166.5	-174.8	50.9	-92.6	0	0	0	111.5	I300 Y301 G312 T316 L325 G326	I300-H314 VanDerWaalsContact O-CB 3.31Å; I300-H314 WeakPolarHBondContact O-CB 3.42Å; Y301-H314 HydrophobicContact CD1-CB 3.81Å; Y301-H314 AromaticContact CD1-CD2 3.92Å; Y301-H314 HydrophobicContact CE1-CB 4.05Å; Y301-H314 AromaticContact CE1-CD2 3.24Å; Y301-H314 WeakPolarHBondContact CE1-CD2 3.33Å; Y301-H314 AromaticContact CE1-CG 3.82Å; Y301-H314 AromaticContact CE1-NE2 4Å; Y301-H314 AromaticContact CE2-CD2 3.81Å; Y301-H314 AromaticContact CE2-NE2 3.85Å; Y301-H314 HydrophobicContact CG-CB 4.04Å; Y301-H314 AromaticContact CZ-CD2 3.16Å; Y301-H314 AromaticContact CZ-CG 3.86Å; Y301-H314 AromaticContact CZ-NE2 3.41Å; Y301-H314 PolarHBondContact OH-CD2 3.23Å; Y301-H314 VanDerWaalsContact OH-CD2 3.31Å; Y301-H314 PolarHBondContact OH-NE2 2.84Å; G312-H314 PolarHBondContact O-N 3.32Å; G312-H314 PolarHBondContact O-ND1 3.48Å; H314-T316 PolarHBondContact CD2-OG1 3.1Å; H314-T316 VanDerWaalsContact CD2-OG1 3.27Å; H314-L325 CarbonylContact O-C 3.54Å; H314-L325 VanDerWaalsContact O-CA 3.27Å; H314-L325 WeakPolarHBondContact O-CA 3.47Å; H314-G326 PolarHBondContact CD2-O 3.25Å; H314-G326 PolarHBondContact CE1-O 3.07Å; H314-G326 PolarHBondContact ND1-O 3.02Å; H314-G326 PolarHBondContact NE2-O 3.38Å; H314-G326 PolarHBondContact O-N 2.96Å
315	F	96.9	Very high	84.5	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.2	179.5	-55.3	-101.9	0	0	0	110.1	V296 N299 I300 I323 W324 L325 L385 F388 I389 I392	V296-F315 HydrophobicContact CG1-CB 3.98Å; V296-F315 HydrophobicContact CG2-CB 4.17Å; V296-F315 HydrophobicContact CG2-CD1 3.69Å; V296-F315 HydrophobicContact CG2-CE1 4.41Å; V296-F315 HydrophobicContact CG2-CG 4.15Å; N299-F315 WeakPolarHBondContact CA-O 3.3Å; I300-F315 HydrophobicContact CB-CB 4.19Å; I300-F315 HydrophobicContact CB-CD2 3.97Å; I300-F315 HydrophobicContact CB-CG 4.45Å; I300-F315 HydrophobicContact CG2-CD2 4.22Å; I300-F315 PolarHBondContact N-O 2.97Å; I300-F315 PolarHBondContact O-N 2.86Å; F315-I323 HydrophobicContact CB-CG2 4.48Å; F315-W324 WeakPolarHBondContact CA-O 3.48Å; F315-L325 HydrophobicContact CB-CD2 4.39Å; F315-L325 HydrophobicContact CD1-CD2 3.1Å; F315-L325 HydrophobicContact CE1-CD2 3.49Å; F315-L325 VanDerWaalsContact CE1-CD2 3.49Å; F315-L325 HydrophobicContact CG-CD2 3.93Å; F315-L385 HydrophobicContact CD2-CD2 4.18Å; F315-L385 HydrophobicContact CE1-CD2 4.33Å; F315-L385 HydrophobicContact CE2-CB 4.4Å; F315-L385 HydrophobicContact CE2-CD2 3.54Å; F315-L385 HydrophobicContact CZ-CB 3.89Å; F315-L385 HydrophobicContact CZ-CD2 3.64Å; F315-L385 HydrophobicContact CZ-CG 4.27Å; F315-F388 HydrophobicContact CE2-CB 4Å; F315-I389 HydrophobicContact CD1-CD1 3.96Å; F315-I389 HydrophobicContact CD2-CD1 4.4Å; F315-I389 HydrophobicContact CE1-CD1 3.67Å; F315-I389 HydrophobicContact CE1-CG1 4.28Å; F315-I389 HydrophobicContact CE2-CD1 4.14Å; F315-I389 HydrophobicContact CE2-CG1 4.17Å; F315-I389 HydrophobicContact CG-CD1 4.33Å; F315-I389 HydrophobicContact CZ-CB 4.11Å; F315-I389 HydrophobicContact CZ-CD1 3.75Å; F315-I389 HydrophobicContact CZ-CG1 3.87Å; F315-I392 HydrophobicContact CE1-CD1 4.33Å; F315-I392 HydrophobicContact CZ-CD1 4.09Å
316	T	96.6	Very high	84.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	112.4	-179.4	-59.3	0	0	0	0	110.4	S94 V96 N299 Y301 H314 W324	S94-T316 WeakPolarHBondContact O-CG2 3.43Å; V96-T316 HydrophobicContact CG2-CG2 3.61Å; N299-T316 WeakPolarHBondContact OD1-CG2 3.28Å; Y301-T316 PolarHBondContact OH-OG1 3.36Å; H314-T316 PolarHBondContact CD2-OG1 3.1Å; H314-T316 VanDerWaalsContact CD2-OG1 3.27Å; T316-W324 PolarHBondContact N-O 3.29Å; T316-W324 PolarHBondContact O-N 3.17Å
317	P	97	Very high	85.9	Confident	8 Å²	8	35.6 Å²	35.6	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	152.4	169.7	-17.2	30.1	0	0	0	112.1	I192 V296 G298 S322 I323	I192-P317 HydrophobicContact CD1-CB 4.22Å; I192-P317 WeakPolarHBondContact CD1-O 3.03Å; I192-P317 WeakPolarHBondContact CG2-O 3.48Å; V296-P317 HydrophobicContact CG1-CG 4.15Å; G298-P317 WeakPolarHBondContact O-CD 3.26Å; G298-P317 WeakPolarHBondContact O-CG 3.42Å; P317-S322 CarbonylContact C-O 3.49Å; P317-I323 HydrophobicContact CB-CD1 3.67Å; P317-I323 HydrophobicContact CG-CD1 3.97Å
318	R	96.5	Very high	86.8	Confident	39 Å²	39	28.6 Å²	28.6	15%	0.147	16%	0.162	C	C	.	.			trans	-118.7	162.9	177.6	-63.3	-61.6	-64.8	-136.7	2.9	112	N93 S94 D320 G321 S322 W324	N93-R318 PolarHBondContact O-NH1 3.37Å; S94-R318 VanDerWaalsContact CA-NH1 3.34Å; S94-R318 PolarHBondContact O-NH1 3.02Å; R318-D320 WeakPolarHBondContact CB-OD1 3.32Å; R318-D320 PolarHBondContact O-N 2.98Å; R318-G321 PolarHBondContact O-N 3.38Å; R318-S322 WeakPolarHBondContact CB-O 3.5Å; R318-S322 WeakPolarHBondContact CB-OG 3.48Å; R318-S322 WeakPolarHBondContact CG-OG 3.42Å; R318-S322 PolarHBondContact N-O 3.32Å; R318-W324 VanDerWaalsContact CG-CD1 3.44Å; R318-W324 HydrophobicContact CG-CD2 4.14Å; R318-W324 HydrophobicContact CG-CG 3.9Å; R318-W324 VanDerWaalsContact NH1-CE3 3.35Å
319	M	96.6	Very high	87.5	Confident	75 Å²	75	26 Å²	26	37%	0.369	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.5	178.2	-67.9	-55	-60.4	0	0	112.9	S130 K132 I192 G321	S130-M319 WeakPolarHBondContact O-CE 3.21Å; K132-M319 HydrophobicContact CB-SD 4.28Å; I192-M319 HydrophobicContact CB-SD 4.47Å; I192-M319 HydrophobicContact CD1-SD 3.95Å; I192-M319 HydrophobicContact CG1-SD 3.75Å; M319-G321 VanDerWaalsContact C-N 3.25Å; M319-G321 PolarHBondContact O-N 2.95Å
320	D	95.3	Very high	88.7	Confident	124 Å²	124	23.7 Å²	23.7	66%	0.663	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	1.6	175	66.9	-1.3	0	0	0	113.6	R318 S322	R318-D320 WeakPolarHBondContact CB-OD1 3.32Å; R318-D320 PolarHBondContact O-N 2.98Å; D320-S322 VanDerWaalsContact C-N 3.31Å; D320-S322 PolarHBondContact O-N 3.48Å; D320-S322 VanDerWaalsContact OD1-CB 3.29Å; D320-S322 WeakPolarHBondContact OD1-CB 3.41Å; D320-S322 PolarHBondContact OD1-N 3.35Å; D320-S322 PolarHBondContact OD1-OG 3.32Å; D320-S322 PolarHBondContact OD2-OG 2.78Å
321	G	95.4	Very high	89.7	Confident	49 Å²	49	25.1 Å²	25.1	51%	0.505	15%	0.147	S	C	.	.	S	Bend	trans	83.9	-4.1	-178	0	0	0	0	0	115	R318 M319	R318-G321 PolarHBondContact O-N 3.38Å; M319-G321 VanDerWaalsContact C-N 3.25Å; M319-G321 PolarHBondContact O-N 2.95Å
322	S	97.1	Very high	90.8	Very high	26 Å²	26	23.3 Å²	23.3	18%	0.182	14%	0.139	C	C	.	.			trans	-68.9	151.6	172.1	67.8	0	0	0	0	111.4	P317 R318 D320 W324	P317-S322 CarbonylContact C-O 3.49Å; R318-S322 WeakPolarHBondContact CB-O 3.5Å; R318-S322 WeakPolarHBondContact CB-OG 3.48Å; R318-S322 WeakPolarHBondContact CG-OG 3.42Å; R318-S322 PolarHBondContact N-O 3.32Å; D320-S322 VanDerWaalsContact C-N 3.31Å; D320-S322 PolarHBondContact O-N 3.48Å; D320-S322 VanDerWaalsContact OD1-CB 3.29Å; D320-S322 WeakPolarHBondContact OD1-CB 3.41Å; D320-S322 PolarHBondContact OD1-N 3.35Å; D320-S322 PolarHBondContact OD1-OG 3.32Å; D320-S322 PolarHBondContact OD2-OG 2.78Å; S322-W324 PolarHBondContact OG-NE1 2.94Å
323	I	97.8	Very high	91.8	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.5	173.2	-53.9	-59.1	0	0	0	108.4	L287 L288 C293 V296 F315 P317 L325	L287-I323 WeakPolarHBondContact CA-O 3.47Å; L288-I323 HydrophobicContact CB-CB 4.03Å; L288-I323 HydrophobicContact CB-CG2 4.47Å; L288-I323 HydrophobicContact CD2-CB 4.46Å; L288-I323 PolarHBondContact N-O 2.85Å; C293-I323 HydrophobicContact CB-CG1 3.9Å; V296-I323 HydrophobicContact CB-CD1 4.17Å; V296-I323 HydrophobicContact CB-CG1 4.26Å; V296-I323 HydrophobicContact CB-CG2 4.07Å; V296-I323 HydrophobicContact CG1-CD1 4.28Å; V296-I323 HydrophobicContact CG1-CG2 4.13Å; V296-I323 HydrophobicContact CG2-CG2 4.08Å; F315-I323 HydrophobicContact CB-CG2 4.48Å; P317-I323 HydrophobicContact CB-CD1 3.67Å; P317-I323 HydrophobicContact CG-CD1 3.97Å; I323-L325 HydrophobicContact CG2-CD2 4.21Å
324	W	96.7	Very high	92.4	Very high	26 Å²	26	30.8 Å²	30.8	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.3	177.8	-70	23.3	0	0	0	110.1	Y285 L286 L287 F315 T316 R318 S322 P401	Y285-W324 HydrophobicContact CD1-CB 4.07Å; Y285-W324 HydrophobicContact CD1-CD2 4.4Å; Y285-W324 AromaticContact CD1-CE3 3.64Å; Y285-W324 HydrophobicContact CD1-CE3 3.64Å; Y285-W324 HydrophobicContact CD1-CZ3 4.49Å; Y285-W324 AromaticContact CD2-CE3 3.78Å; Y285-W324 HydrophobicContact CD2-CE3 3.78Å; Y285-W324 AromaticContact CD2-CZ3 3.86Å; Y285-W324 HydrophobicContact CD2-CZ3 3.86Å; Y285-W324 AromaticContact CE1-CE3 3.92Å; Y285-W324 HydrophobicContact CE1-CE3 3.92Å; Y285-W324 HydrophobicContact CE2-CE3 4.08Å; Y285-W324 HydrophobicContact CE2-CZ3 4Å; Y285-W324 HydrophobicContact CG-CD2 4.34Å; Y285-W324 AromaticContact CG-CE3 3.54Å; Y285-W324 HydrophobicContact CG-CE3 3.54Å; Y285-W324 HydrophobicContact CG-CZ3 4.11Å; L286-W324 CarbonylContact O-C 3.44Å; L286-W324 WeakPolarHBondContact O-CA 3.46Å; L287-W324 HydrophobicContact CD2-CD2 4.36Å; L287-W324 HydrophobicContact CD2-CG 3.78Å; L287-W324 VanDerWaalsContact CD2-NE1 3.29Å; F315-W324 WeakPolarHBondContact CA-O 3.48Å; T316-W324 PolarHBondContact N-O 3.29Å; T316-W324 PolarHBondContact O-N 3.17Å; R318-W324 VanDerWaalsContact CG-CD1 3.44Å; R318-W324 HydrophobicContact CG-CD2 4.14Å; R318-W324 HydrophobicContact CG-CG 3.9Å; R318-W324 VanDerWaalsContact NH1-CE3 3.35Å; S322-W324 PolarHBondContact OG-NE1 2.94Å; W324-P401 HydrophobicContact CD2-CG 4.37Å; W324-P401 HydrophobicContact CE3-CG 4.24Å; W324-P401 HydrophobicContact CH2-CB 4.32Å; W324-P401 HydrophobicContact CH2-CG 3.22Å; W324-P401 HydrophobicContact CZ2-CG 3.37Å; W324-P401 HydrophobicContact CZ3-CG 3.68Å
325	L	94.9	Very high	92.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.6	176.7	-41.8	174.3	0	0	0	108.7	Y285 L286 V313 H314 F315 I323 L385 I397	Y285-L325 WeakPolarHBondContact CA-O 3.33Å; L286-L325 HydrophobicContact CB-CB 4.14Å; L286-L325 HydrophobicContact CB-CD1 4.43Å; L286-L325 PolarHBondContact N-O 3.29Å; L286-L325 PolarHBondContact O-N 2.89Å; V313-L325 HydrophobicContact CG1-CB 4.48Å; H314-L325 CarbonylContact O-C 3.54Å; H314-L325 VanDerWaalsContact O-CA 3.27Å; H314-L325 WeakPolarHBondContact O-CA 3.47Å; F315-L325 HydrophobicContact CB-CD2 4.39Å; F315-L325 HydrophobicContact CD1-CD2 3.1Å; F315-L325 HydrophobicContact CE1-CD2 3.49Å; F315-L325 VanDerWaalsContact CE1-CD2 3.49Å; F315-L325 HydrophobicContact CG-CD2 3.93Å; I323-L325 HydrophobicContact CG2-CD2 4.21Å; L325-L385 HydrophobicContact CB-CD1 4.1Å; L325-L385 HydrophobicContact CD1-CD1 3.96Å; L325-L385 HydrophobicContact CG-CD1 4.49Å; L325-I397 HydrophobicContact CD1-CD1 3.36Å; L325-I397 HydrophobicContact CD1-CG1 4.36Å; L325-I397 HydrophobicContact CD1-CG2 4.41Å
326	G	89.2	Confident	92.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.2	-157.2	-175.9	0	0	0	0	0	112.1	H314	H314-G326 PolarHBondContact CD2-O 3.25Å; H314-G326 PolarHBondContact CE1-O 3.07Å; H314-G326 PolarHBondContact ND1-O 3.02Å; H314-G326 PolarHBondContact NE2-O 3.38Å; H314-G326 PolarHBondContact O-N 2.96Å
327	P	87.6	Confident	92.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.032	17%	0.172	C	C	.	.			cis	-79.2	161.8	5.2	33.2	-31.4	0	0	0	112.1	D284 Y285	D284-P327 WeakPolarHBondContact O-CA 3.49Å; Y285-P327 HydrophobicContact CD1-CB 4.2Å; Y285-P327 HydrophobicContact CD2-CB 4.3Å; Y285-P327 HydrophobicContact CE1-CB 3.81Å; Y285-P327 HydrophobicContact CE1-CG 3.95Å; Y285-P327 VanDerWaalsContact CE1-N 3.34Å; Y285-P327 HydrophobicContact CE2-CB 3.9Å; Y285-P327 HydrophobicContact CE2-CG 4.37Å; Y285-P327 HydrophobicContact CG-CB 4.44Å
328	N	83.2	Confident	92	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.112	18%	0.178	C	C	.	.			trans	-72.9	-178.5	154.9	65.5	7.8	0	0	0	110	G283 D284 A375	G283-N328 WeakPolarHBondContact CA-O 3.14Å; D284-N328 PolarHBondContact N-OD1 2.91Å; D284-N328 PolarHBondContact O-N 3.37Å; N328-A375 WeakPolarHBondContact ND2-CB 3.38Å
329	A	81.6	Confident	91.8	Very high	16 Å²	16	40.3 Å²	40.3	13%	0.132	20%	0.204	C	C	.	.			trans	-131.9	111.4	171.1	0	0	0	0	0	109.9	F310	F310-A329 HydrophobicContact CB-CB 4.05Å; F310-A329 HydrophobicContact CD1-CB 4.37Å; F310-A329 HydrophobicContact CD2-CB 3.46Å; F310-A329 VanDerWaalsContact CD2-CB 3.46Å; F310-A329 HydrophobicContact CE2-CB 3.97Å; F310-A329 HydrophobicContact CG-CB 3.7Å
330	V	83.9	Confident	91.2	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.7	176.6	-62.1	0	0	0	0	110.1	F281 R282 A332 M372 A375	F281-V330 CarbonylContact C-O 3.51Å; F281-V330 WeakPolarHBondContact CA-O 3.47Å; R282-V330 HydrophobicContact CB-CG2 4.07Å; R282-V330 PolarHBondContact N-O 2.82Å; R282-V330 WeakPolarHBondContact O-CG2 3.2Å; R282-V330 PolarHBondContact O-N 3.28Å; R282-V330 VanDerWaalsContact O-O 3.11Å; V330-A332 PolarHBondContact O-N 3.28Å; V330-M372 HydrophobicContact CG1-SD 4.42Å; V330-A375 HydrophobicContact CG1-CB 3.84Å
331	L	86.8	Confident	90.8	Very high	54 Å²	54	43.7 Å²	43.7	28%	0.283	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.4	174.3	-175.2	66	0	0	0	109.5	V279 F281 F333 I351 L357	V279-L331 HydrophobicContact CG1-CD1 3.54Å; F281-L331 HydrophobicContact CZ-CD1 4.48Å; L331-F333 HydrophobicContact CD2-CE1 4.47Å; L331-I351 HydrophobicContact CD1-CD1 4.25Å; L331-I351 HydrophobicContact CD2-CD1 4.49Å; L331-I351 HydrophobicContact CD2-CG2 3.97Å; L331-I351 HydrophobicContact CG-CD1 4.4Å; L331-L357 HydrophobicContact CD1-CD2 4.44Å
332	A	90.2	Very high	90.7	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	21%	0.205	C	C	.	.			trans	-93.7	141.6	174	0	0	0	0	0	110.3	P280 R282 V330 K334 I351 V404	P280-A332 HydrophobicContact CB-CB 4.03Å; P280-A332 HydrophobicContact CG-CB 4.17Å; P280-A332 WeakPolarHBondContact O-CB 3.3Å; P280-A332 PolarHBondContact O-N 3.15Å; R282-A332 HydrophobicContact CB-CB 3.94Å; V330-A332 PolarHBondContact O-N 3.28Å; A332-K334 VanDerWaalsContact C-N 3.25Å; A332-K334 WeakPolarHBondContact CB-O 3.5Å; A332-K334 PolarHBondContact O-N 2.89Å; A332-I351 WeakPolarHBondContact O-CD1 3.31Å; A332-V404 HydrophobicContact CB-CG1 4.49Å
333	F	91.4	Very high	90.5	Very high	104 Å²	104	48.4 Å²	48.4	46%	0.456	22%	0.224	S	C	.	.	S	Bend	trans	-90.9	11.7	176.2	-55	-49.3	0	0	0	113.2	L331 F343 S344 V348	L331-F333 HydrophobicContact CD2-CE1 4.47Å; F333-F343 HydrophobicContact CB-CD2 4.1Å; F333-S344 PolarHBondContact O-N 2.93Å; F333-V348 HydrophobicContact CB-CG2 3.76Å; F333-V348 HydrophobicContact CD1-CG2 4.28Å; F333-V348 HydrophobicContact CG-CG2 4.38Å
334	K	94.3	Very high	90.4	Very high	70 Å²	70	49.3 Å²	49.3	30%	0.304	23%	0.231	S	C	.	.	S	Bend	trans	-152.2	140.4	173.3	-175	177.3	-179	-176	0	108.1	A332 E336 G337 D342 D347	A332-K334 VanDerWaalsContact C-N 3.25Å; A332-K334 WeakPolarHBondContact CB-O 3.5Å; A332-K334 PolarHBondContact O-N 2.89Å; K334-E336 PolarHBondContact O-N 3.1Å; K334-G337 PolarHBondContact O-N 2.99Å; K334-D342 HydrophobicContact CB-CB 4.34Å; K334-D342 HydrophobicContact CD-CB 4.28Å; K334-D347 VanDerWaalsContact CA-OD2 3.29Å; K334-D347 WeakPolarHBondContact CA-OD2 3.49Å
335	R	93.4	Very high	90.2	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.015	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.2	177.2	-76.5	170.5	-179.9	-108.9	4	111.7	L261 Y262 D264 P280 D347 D350 V404	L261-R335 HydrophobicContact CB-CB 4.4Å; L261-R335 WeakPolarHBondContact CD1-O 3.42Å; L261-R335 WeakPolarHBondContact CD2-O 3.44Å; L261-R335 WeakPolarHBondContact O-CD 3.42Å; L261-R335 PolarHBondContact O-NH1 2.92Å; Y262-R335 HydrophobicContact CE2-CB 4.25Å; D264-R335 IonicContact OD1-CZ 2.58Å; D264-R335 IonicContact OD1-NH1 3.5Å; D264-R335 PolarHBondContact OD1-NH1 2.74Å; D264-R335 IonicContact OD1-NH2 2.86Å; D264-R335 PolarHBondContact OD1-NH2 3.29Å; D264-R335 IonicContact OD2-CZ 3.86Å; D264-R335 IonicContact OD2-NH1 3.63Å; D264-R335 PolarHBondContact OD2-NH1 3.35Å; D264-R335 IonicContact OD2-NH2 3.69Å; D264-R335 PolarHBondContact OD2-NH2 2.68Å; P280-R335 HydrophobicContact CG-CG 4.27Å; R335-D347 PolarHBondContact N-OD2 3.25Å; R335-D350 IonicContact NH2-OD2 2.77Å; R335-V404 WeakPolarHBondContact O-CG1 3.22Å
336	E	94.6	Very high	90.1	Very high	25 Å²	25	55.5 Å²	55.5	12%	0.117	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	38	174	-65.2	174.7	167.2	0	0	111.8	K81 H88 L261 Y262 K334 Y338	K81-E336 WeakPolarHBondContact CE-OE1 3.37Å; K81-E336 IonicContact NZ-OE1 3.52Å; K81-E336 PolarHBondContact NZ-OE1 3.13Å; K81-E336 IonicContact NZ-OE2 3.25Å; K81-E336 PolarHBondContact NZ-OE2 2.78Å; H88-E336 IonicContact CD2-OE1 3.34Å; H88-E336 VanDerWaalsContact CE1-CD 3.49Å; H88-E336 IonicContact CE1-OE1 3.73Å; H88-E336 PolarHBondContact CE1-OE1 2.78Å; H88-E336 IonicContact CE1-OE2 2.75Å; H88-E336 IonicContact CG-OE1 3.03Å; H88-E336 IonicContact ND1-OE1 3.34Å; H88-E336 IonicContact NE2-OE1 2.99Å; H88-E336 PolarHBondContact NE2-OE1 3.01Å; H88-E336 VanDerWaalsContact NE2-OE1 3.12Å; L261-E336 HydrophobicContact CD1-CG 4.19Å; Y262-E336 HydrophobicContact CE2-CG 3.9Å; Y262-E336 WeakPolarHBondContact CE2-OE1 3.28Å; K334-E336 PolarHBondContact O-N 3.1Å; E336-Y338 HydrophobicContact CB-CD2 4.41Å; E336-Y338 HydrophobicContact CB-CE2 3.88Å; E336-Y338 HydrophobicContact CG-CE2 4.35Å; E336-Y338 WeakPolarHBondContact O-CD2 3.42Å; E336-Y338 PolarHBondContact O-N 3.37Å; E336-Y338 VanDerWaalsContact O-N 3.11Å
337	G	93.8	Very high	90.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	28%	0.28	C	S	.	.			trans	-81.3	80.9	177.2	0	0	0	0	0	111.2	R282 K334 R339 D342 V404	R282-G337 WeakPolarHBondContact CD-O 3.32Å; K334-G337 PolarHBondContact O-N 2.99Å; G337-R339 VanDerWaalsContact C-N 3.32Å; G337-D342 VanDerWaalsContact CA-CB 3.48Å; G337-D342 WeakPolarHBondContact CA-OD2 3.47Å; G337-V404 WeakPolarHBondContact O-CG2 3.39Å
338	Y	92.8	Very high	90.3	Very high	42 Å²	42	56.7 Å²	56.7	17%	0.165	29%	0.286	C	S	.	.			trans	-82.5	-12.9	177.3	-61.4	-78.5	0	0	0	112.2	H88 H92 E336 D342 A402 V404	H88-Y338 VanDerWaalsContact CA-OH 3.28Å; H88-Y338 WeakPolarHBondContact CA-OH 3.4Å; H88-Y338 VanDerWaalsContact CB-OH 3.25Å; H88-Y338 WeakPolarHBondContact CB-OH 3.4Å; H88-Y338 AromaticContact ND1-CE2 3.98Å; H88-Y338 PolarHBondContact ND1-OH 3.18Å; H92-Y338 HydrophobicContact CB-CD1 4.42Å; H92-Y338 HydrophobicContact CB-CE1 3.9Å; H92-Y338 AromaticContact CE1-CD1 3.92Å; H92-Y338 AromaticContact CG-CD1 3.96Å; H92-Y338 AromaticContact CG-CE1 3.66Å; H92-Y338 AromaticContact ND1-CD1 3.55Å; H92-Y338 AromaticContact ND1-CE1 3.76Å; E336-Y338 HydrophobicContact CB-CD2 4.41Å; E336-Y338 HydrophobicContact CB-CE2 3.88Å; E336-Y338 HydrophobicContact CG-CE2 4.35Å; E336-Y338 WeakPolarHBondContact O-CD2 3.42Å; E336-Y338 PolarHBondContact O-N 3.37Å; E336-Y338 VanDerWaalsContact O-N 3.11Å; Y338-D342 PolarHBondContact N-OD2 2.96Å; Y338-A402 WeakPolarHBondContact O-CB 3.32Å; Y338-V404 HydrophobicContact CD1-CG2 3.83Å; Y338-V404 HydrophobicContact CE1-CB 4.26Å; Y338-V404 HydrophobicContact CE1-CG2 3.85Å; Y338-V404 HydrophobicContact CG-CG2 4.39Å
339	R	91.5	Very high	90.6	Very high	183 Å²	183	60.9 Å²	60.9	69%	0.691	31%	0.306	S	S	*	.	S	Bend	trans	-111.4	155.2	176.7	-55.3	175.1	177.2	177	-0.2	111.3	G337 F341 D342	G337-R339 VanDerWaalsContact C-N 3.32Å; R339-F341 PolarHBondContact O-N 3.06Å; R339-F341 VanDerWaalsContact O-N 3.14Å; R339-D342 WeakPolarHBondContact CB-OD2 3.49Å; R339-D342 PolarHBondContact N-OD2 3.31Å; R339-D342 PolarHBondContact O-N 2.89Å
340	P	83.8	Confident	90.9	Very high	76 Å²	76	61.7 Å²	61.7	49%	0.494	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.4	-176	-25.2	32.5	0	0	0	115.3	R282	R282-P340 VanDerWaalsContact NH1-CA 3.32Å; R282-P340 VanDerWaalsContact NH1-N 3.13Å
341	F	86.4	Confident	90.9	Very high	193 Å²	193	62.3 Å²	62.3	85%	0.846	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	11.6	-175.3	-53	-67.2	0	0	0	113	R339 F343	R339-F341 PolarHBondContact O-N 3.06Å; R339-F341 VanDerWaalsContact O-N 3.14Å; F341-F343 PolarHBondContact O-N 2.87Å
342	D	92.9	Very high	90.9	Very high	44 Å²	44	64.8 Å²	64.8	24%	0.235	32%	0.323	C	S	.	.			trans	-67.6	126.9	173.9	-74.3	-19.8	0	0	0	109.7	K334 G337 Y338 R339	K334-D342 HydrophobicContact CB-CB 4.34Å; K334-D342 HydrophobicContact CD-CB 4.28Å; G337-D342 VanDerWaalsContact CA-CB 3.48Å; G337-D342 WeakPolarHBondContact CA-OD2 3.47Å; Y338-D342 PolarHBondContact N-OD2 2.96Å; R339-D342 WeakPolarHBondContact CB-OD2 3.49Å; R339-D342 PolarHBondContact N-OD2 3.31Å; R339-D342 PolarHBondContact O-N 2.89Å
343	F	94.2	Very high	90.8	Very high	130 Å²	130	69.4 Å²	69.4	57%	0.57	35%	0.346	S	S	*	.			trans	-135	142.5	-171.3	-180	-91.5	0	0	0	111.2	F333 F341 A345 V348	F333-F343 HydrophobicContact CB-CD2 4.1Å; F341-F343 PolarHBondContact O-N 2.87Å; F343-A345 HydrophobicContact CE1-CB 4.06Å; F343-V348 HydrophobicContact CD2-CG2 4.03Å; F343-V348 HydrophobicContact CE2-CB 4.28Å; F343-V348 HydrophobicContact CE2-CG1 4.46Å; F343-V348 HydrophobicContact CE2-CG2 3.63Å; F343-V348 HydrophobicContact CZ-CB 4.49Å; F343-V348 HydrophobicContact CZ-CG2 4.24Å
344	S	95.6	Very high	90.4	Very high	26 Å²	26	65.2 Å²	65.2	18%	0.182	33%	0.328	C	S	.	.			trans	-138.7	119.3	170.2	167.8	0	0	0	0	108.9	F333 T346 D347 V348	F333-S344 PolarHBondContact O-N 2.93Å; S344-T346 PolarHBondContact O-N 2.8Å; S344-D347 WeakPolarHBondContact CB-OD2 3.44Å; S344-D347 PolarHBondContact O-N 2.87Å; S344-D347 PolarHBondContact OG-N 2.77Å; S344-D347 PolarHBondContact OG-OD1 2.76Å; S344-D347 PolarHBondContact OG-OD2 2.95Å; S344-V348 WeakPolarHBondContact O-CB 3.35Å; S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.89Å
345	A	93.1	Very high	90.1	Very high	69 Å²	69	64.8 Å²	64.8	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-58.9	-39.8	179.5	0	0	0	0	0	111.6	F343 M349	F343-A345 HydrophobicContact CE1-CB 4.06Å; A345-M349 WeakPolarHBondContact O-CB 3.34Å; A345-M349 PolarHBondContact O-N 3.2Å
346	T	91.4	Very high	89.8	Confident	89 Å²	89	64.6 Å²	64.6	55%	0.546	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-45.7	177	-48.9	0	0	0	0	111.6	S344 V348 M349 D350	S344-T346 PolarHBondContact O-N 2.8Å; T346-V348 VanDerWaalsContact C-N 3.35Å; T346-V348 PolarHBondContact O-N 3.19Å; T346-M349 PolarHBondContact O-N 2.85Å; T346-D350 PolarHBondContact O-N 3.29Å
347	D	92.1	Very high	89.3	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-68.6	-36.8	-179	-58.5	-7.9	0	0	0	111.3	R265 K334 R335 S344 D350 I351	R265-D347 IonicContact CZ-OD1 2.66Å; R265-D347 IonicContact NH1-OD1 3.64Å; R265-D347 PolarHBondContact NH1-OD1 2.86Å; R265-D347 IonicContact NH2-OD1 2.84Å; R265-D347 PolarHBondContact NH2-OD1 3.23Å; K334-D347 VanDerWaalsContact CA-OD2 3.29Å; K334-D347 WeakPolarHBondContact CA-OD2 3.49Å; R335-D347 PolarHBondContact N-OD2 3.25Å; S344-D347 WeakPolarHBondContact CB-OD2 3.44Å; S344-D347 PolarHBondContact O-N 2.87Å; S344-D347 PolarHBondContact OG-N 2.77Å; S344-D347 PolarHBondContact OG-OD1 2.76Å; S344-D347 PolarHBondContact OG-OD2 2.95Å; D347-D350 PolarHBondContact O-N 2.77Å; D347-I351 VanDerWaalsContact O-CG1 3.3Å; D347-I351 WeakPolarHBondContact O-CG1 3.24Å; D347-I351 PolarHBondContact O-N 3.15Å
348	V	90.1	Very high	89	Confident	26 Å²	26	69 Å²	69	16%	0.158	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-39	175.6	169.5	0	0	0	0	111.5	F333 F343 S344 T346 D350 I351 I352	F333-V348 HydrophobicContact CB-CG2 3.76Å; F333-V348 HydrophobicContact CD1-CG2 4.28Å; F333-V348 HydrophobicContact CG-CG2 4.38Å; F343-V348 HydrophobicContact CD2-CG2 4.03Å; F343-V348 HydrophobicContact CE2-CB 4.28Å; F343-V348 HydrophobicContact CE2-CG1 4.46Å; F343-V348 HydrophobicContact CE2-CG2 3.63Å; F343-V348 HydrophobicContact CZ-CB 4.49Å; F343-V348 HydrophobicContact CZ-CG2 4.24Å; S344-V348 WeakPolarHBondContact O-CB 3.35Å; S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.89Å; T346-V348 VanDerWaalsContact C-N 3.35Å; T346-V348 PolarHBondContact O-N 3.19Å; V348-D350 VanDerWaalsContact C-N 3.35Å; V348-I351 WeakPolarHBondContact O-CB 3.34Å; V348-I351 PolarHBondContact O-N 3.09Å; V348-I352 HydrophobicContact CG1-CD1 3.72Å; V348-I352 HydrophobicContact CG1-CG1 4.34Å; V348-I352 VanDerWaalsContact O-CG1 3.3Å; V348-I352 WeakPolarHBondContact O-CG1 3.49Å; V348-I352 PolarHBondContact O-N 3.31Å
349	M	89.4	Confident	88.7	Confident	108 Å²	108	70.8 Å²	70.8	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174.5	-171.1	61	177.7	0	0	111.1	A345 T346 I351 I352 I353	A345-M349 WeakPolarHBondContact O-CB 3.34Å; A345-M349 PolarHBondContact O-N 3.2Å; T346-M349 PolarHBondContact O-N 2.85Å; M349-I351 VanDerWaalsContact C-N 3.27Å; M349-I351 PolarHBondContact O-N 3.01Å; M349-I352 PolarHBondContact O-N 3.03Å; M349-I352 VanDerWaalsContact O-N 3.14Å; M349-I353 HydrophobicContact CE-CG2 3.63Å; M349-I353 HydrophobicContact CG-CG2 4.45Å; M349-I353 WeakPolarHBondContact O-CG1 2.96Å; M349-I353 PolarHBondContact O-N 3.2Å; M349-I353 HydrophobicContact SD-CG2 4.09Å
350	D	86.4	Confident	88.4	Confident	33 Å²	33	63 Å²	63	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-56.9	-40.9	174.6	-72.8	-11.7	0	0	0	111.8	R265 R335 T346 D347 V348 N354	R265-D350 IonicContact CZ-OD2 2.69Å; R265-D350 IonicContact NE-OD2 3.02Å; R265-D350 IonicContact NH2-OD2 3.18Å; R265-D350 PolarHBondContact NH2-OD2 2.7Å; R335-D350 IonicContact NH2-OD2 2.77Å; T346-D350 PolarHBondContact O-N 3.29Å; D347-D350 PolarHBondContact O-N 2.77Å; V348-D350 VanDerWaalsContact C-N 3.35Å; D350-N354 WeakPolarHBondContact O-CB 3.47Å; D350-N354 PolarHBondContact O-N 2.77Å
351	I	85.1	Confident	88.5	Confident	22 Å²	22	61.9 Å²	61.9	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-46.6	176	-76.3	167.8	0	0	0	111.1	L331 A332 D347 V348 M349 N354 L357	L331-I351 HydrophobicContact CD1-CD1 4.25Å; L331-I351 HydrophobicContact CD2-CD1 4.49Å; L331-I351 HydrophobicContact CD2-CG2 3.97Å; L331-I351 HydrophobicContact CG-CD1 4.4Å; A332-I351 WeakPolarHBondContact O-CD1 3.31Å; D347-I351 VanDerWaalsContact O-CG1 3.3Å; D347-I351 WeakPolarHBondContact O-CG1 3.24Å; D347-I351 PolarHBondContact O-N 3.15Å; V348-I351 WeakPolarHBondContact O-CB 3.34Å; V348-I351 PolarHBondContact O-N 3.09Å; M349-I351 VanDerWaalsContact C-N 3.27Å; M349-I351 PolarHBondContact O-N 3.01Å; I351-N354 PolarHBondContact O-N 2.78Å; I351-L357 HydrophobicContact CB-CD2 4.17Å; I351-L357 HydrophobicContact CG1-CD2 4.26Å; I351-L357 HydrophobicContact CG2-CD2 3.6Å
352	I	86.1	Confident	88.4	Confident	106 Å²	106	56.8 Å²	56.8	54%	0.544	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-40.9	-175.5	-69.9	167	0	0	0	111.6	V348 M349 N354	V348-I352 HydrophobicContact CG1-CD1 3.72Å; V348-I352 HydrophobicContact CG1-CG1 4.34Å; V348-I352 VanDerWaalsContact O-CG1 3.3Å; V348-I352 WeakPolarHBondContact O-CG1 3.49Å; V348-I352 PolarHBondContact O-N 3.31Å; M349-I352 PolarHBondContact O-N 3.03Å; M349-I352 VanDerWaalsContact O-N 3.14Å; I352-N354 VanDerWaalsContact C-N 3.31Å
353	I	87.3	Confident	87.9	Confident	102 Å²	102	60.9 Å²	60.9	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-81.9	-9.8	-177.9	69.4	-173.3	0	0	0	113.3	M349 S355	M349-I353 HydrophobicContact CE-CG2 3.63Å; M349-I353 HydrophobicContact CG-CG2 4.45Å; M349-I353 WeakPolarHBondContact O-CG1 2.96Å; M349-I353 PolarHBondContact O-N 3.2Å; M349-I353 HydrophobicContact SD-CG2 4.09Å; I353-S355 PolarHBondContact O-N 2.86Å; I353-S355 VanDerWaalsContact O-N 3.14Å
354	N	84.6	Confident	87.1	Confident	15 Å²	15	56.6 Å²	56.6	8%	0.08	32%	0.324	C	S	.	.			trans	-76.6	102.9	-177.7	-174.3	-31.1	0	0	0	111.2	R277 D350 I351 I352 G356 L357 I358	R277-N354 VanDerWaalsContact CB-ND2 3.29Å; R277-N354 WeakPolarHBondContact CB-ND2 3.3Å; D350-N354 WeakPolarHBondContact O-CB 3.47Å; D350-N354 PolarHBondContact O-N 2.77Å; I351-N354 PolarHBondContact O-N 2.78Å; I352-N354 VanDerWaalsContact C-N 3.31Å; N354-G356 VanDerWaalsContact C-N 3.27Å; N354-G356 PolarHBondContact O-N 3.02Å; N354-G356 WeakPolarHBondContact OD1-CA 3.47Å; N354-G356 PolarHBondContact OD1-N 2.72Å; N354-L357 HydrophobicContact CB-CB 4.08Å; N354-L357 PolarHBondContact O-N 2.74Å; N354-L357 VanDerWaalsContact O-N 3.12Å; N354-L357 PolarHBondContact OD1-N 3.32Å; N354-I358 PolarHBondContact O-N 3.26Å
355	S	86.6	Confident	86.3	Confident	61 Å²	61	62.3 Å²	62.3	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-34.9	177.2	58.4	0	0	0	0	113.4	I353 L357 I358 K359	I353-S355 PolarHBondContact O-N 2.86Å; I353-S355 VanDerWaalsContact O-N 3.14Å; S355-L357 VanDerWaalsContact C-N 3.34Å; S355-I358 PolarHBondContact O-N 3.14Å; S355-K359 WeakPolarHBondContact O-CG 3.45Å; S355-K359 PolarHBondContact O-N 2.76Å
356	G	86.7	Confident	85.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-41.9	174.5	0	0	0	0	0	111.8	N354 K359 L360 G413	N354-G356 VanDerWaalsContact C-N 3.27Å; N354-G356 PolarHBondContact O-N 3.02Å; N354-G356 WeakPolarHBondContact OD1-CA 3.47Å; N354-G356 PolarHBondContact OD1-N 2.72Å; G356-K359 PolarHBondContact O-N 3.04Å; G356-L360 PolarHBondContact O-N 2.81Å; G356-G413 WeakPolarHBondContact O-CA 3Å
357	L	85.9	Confident	84.5	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-69.1	-38	179.3	-177.2	57.9	0	0	0	111.8	V279 L331 I351 N354 S355 K359 L360 A361 L409	V279-L357 HydrophobicContact CG1-CD1 4.08Å; V279-L357 HydrophobicContact CG1-CD2 3.95Å; V279-L357 HydrophobicContact CG2-CD2 4.37Å; L331-L357 HydrophobicContact CD1-CD2 4.44Å; I351-L357 HydrophobicContact CB-CD2 4.17Å; I351-L357 HydrophobicContact CG1-CD2 4.26Å; I351-L357 HydrophobicContact CG2-CD2 3.6Å; N354-L357 HydrophobicContact CB-CB 4.08Å; N354-L357 PolarHBondContact O-N 2.74Å; N354-L357 VanDerWaalsContact O-N 3.12Å; N354-L357 PolarHBondContact OD1-N 3.32Å; S355-L357 VanDerWaalsContact C-N 3.34Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 2.87Å; L357-L360 HydrophobicContact CD1-CD2 4.19Å; L357-L360 PolarHBondContact O-N 3.2Å; L357-A361 VanDerWaalsContact O-CB 3.27Å; L357-A361 WeakPolarHBondContact O-CB 3.46Å; L357-A361 PolarHBondContact O-N 2.87Å; L357-L409 HydrophobicContact CB-CD2 3.9Å; L357-L409 HydrophobicContact CD1-CD2 4.48Å
358	I	86.1	Confident	83.6	Confident	104 Å²	104	62 Å²	62	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-43.7	174	-63.6	168.8	0	0	0	110.5	N354 S355 A361 S362	N354-I358 PolarHBondContact O-N 3.26Å; S355-I358 PolarHBondContact O-N 3.14Å; I358-A361 PolarHBondContact O-N 2.85Å; I358-S362 WeakPolarHBondContact O-CB 3.27Å; I358-S362 PolarHBondContact O-N 2.92Å; I358-S362 PolarHBondContact O-OG 3.42Å
359	K	86.7	Confident	83	Confident	78 Å²	78	64.6 Å²	64.6	34%	0.339	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-46.9	174.9	-71.6	173.1	-179.3	172	0	111.7	S355 G356 L357 A361 S362 Q363 R411 D412	S355-K359 WeakPolarHBondContact O-CG 3.45Å; S355-K359 PolarHBondContact O-N 2.76Å; G356-K359 PolarHBondContact O-N 3.04Å; L357-K359 VanDerWaalsContact C-N 3.32Å; L357-K359 PolarHBondContact O-N 2.87Å; K359-A361 VanDerWaalsContact C-N 3.34Å; K359-A361 PolarHBondContact O-N 3.42Å; K359-S362 PolarHBondContact O-N 3.32Å; K359-S362 PolarHBondContact O-OG 3.33Å; K359-Q363 VanDerWaalsContact O-CG 3.3Å; K359-Q363 WeakPolarHBondContact O-CG 3.31Å; K359-Q363 PolarHBondContact O-N 2.79Å; K359-Q363 VanDerWaalsContact O-N 3.1Å; K359-R411 PolarHBondContact NZ-O 2.89Å; K359-D412 WeakPolarHBondContact CD-O 3.47Å; K359-D412 IonicContact NZ-OD1 3.27Å; K359-D412 PolarHBondContact NZ-OD1 3.13Å
360	L	85.8	Confident	82.3	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-45.3	177.6	-179.6	71.4	0	0	0	111.4	F281 G356 L357 Q363 N364 L409 G413 L415	F281-L360 HydrophobicContact CZ-CD2 4.36Å; G356-L360 PolarHBondContact O-N 2.81Å; L357-L360 HydrophobicContact CD1-CD2 4.19Å; L357-L360 PolarHBondContact O-N 3.2Å; L360-Q363 PolarHBondContact O-N 2.86Å; L360-N364 WeakPolarHBondContact O-CB 3.29Å; L360-N364 PolarHBondContact O-N 3.01Å; L360-N364 VanDerWaalsContact O-N 3.14Å; L360-N364 PolarHBondContact O-ND2 3.43Å; L360-L409 HydrophobicContact CB-CD1 4.49Å; L360-L409 HydrophobicContact CD2-CD1 4.03Å; L360-G413 WeakPolarHBondContact CD1-O 3.24Å; L360-L415 HydrophobicContact CD2-CD2 4.09Å
361	A	85.2	Confident	81.8	Confident	53 Å²	53	61.5 Å²	61.5	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-40.5	-179.4	0	0	0	0	0	112.1	L357 I358 K359 N364 F365	L357-A361 VanDerWaalsContact O-CB 3.27Å; L357-A361 WeakPolarHBondContact O-CB 3.46Å; L357-A361 PolarHBondContact O-N 2.87Å; I358-A361 PolarHBondContact O-N 2.85Å; K359-A361 VanDerWaalsContact C-N 3.34Å; K359-A361 PolarHBondContact O-N 3.42Å; A361-N364 CarbonylContact O-C 3.35Å; A361-N364 PolarHBondContact O-N 2.94Å; A361-F365 WeakPolarHBondContact O-CA 3.32Å; A361-F365 PolarHBondContact O-N 2.93Å
362	S	84.3	Confident	81.4	Confident	87 Å²	87	65.1 Å²	65.1	61%	0.608	37%	0.367	S	S	*	.	H	α-helix	trans	-67.4	-37.1	178.5	69.8	0	0	0	0	112.4	I358 K359 N364	I358-S362 WeakPolarHBondContact O-CB 3.27Å; I358-S362 PolarHBondContact O-N 2.92Å; I358-S362 PolarHBondContact O-OG 3.42Å; K359-S362 PolarHBondContact O-N 3.32Å; K359-S362 PolarHBondContact O-OG 3.33Å; S362-N364 VanDerWaalsContact C-N 3.32Å; S362-N364 PolarHBondContact O-N 3.48Å
363	Q	82.6	Confident	81	Confident	129 Å²	129	66 Å²	66	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-70.4	-26.8	176.1	-69.6	171.9	-2.2	0	0	113.1	K359 L360	K359-Q363 VanDerWaalsContact O-CG 3.3Å; K359-Q363 WeakPolarHBondContact O-CG 3.31Å; K359-Q363 PolarHBondContact O-N 2.79Å; K359-Q363 VanDerWaalsContact O-N 3.1Å; L360-Q363 PolarHBondContact O-N 2.86Å
364	N	78.8	Confident	80.5	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.214	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	20.5	-172.1	-63.9	-84.9	0	0	0	113.9	L360 A361 S362 S366 Y367 G368	L360-N364 WeakPolarHBondContact O-CB 3.29Å; L360-N364 PolarHBondContact O-N 3.01Å; L360-N364 VanDerWaalsContact O-N 3.14Å; L360-N364 PolarHBondContact O-ND2 3.43Å; A361-N364 CarbonylContact O-C 3.35Å; A361-N364 PolarHBondContact O-N 2.94Å; S362-N364 VanDerWaalsContact C-N 3.32Å; S362-N364 PolarHBondContact O-N 3.48Å; N364-S366 PolarHBondContact O-N 2.96Å; N364-Y367 PolarHBondContact O-N 2.73Å; N364-Y367 VanDerWaalsContact O-N 3.17Å; N364-G368 PolarHBondContact O-N 3.3Å
365	F	78.9	Confident	80	Confident	146 Å²	146	62.7 Å²	62.7	64%	0.64	35%	0.349	S	S	*	.	H	α-helix	trans	-56.9	-50.4	-169.3	-177.1	-99.9	0	0	0	113.9	A361 Y367 G368 V369	A361-F365 WeakPolarHBondContact O-CA 3.32Å; A361-F365 PolarHBondContact O-N 2.93Å; F365-Y367 PolarHBondContact O-N 2.68Å; F365-G368 PolarHBondContact O-N 2.91Å; F365-V369 HydrophobicContact CD1-CG2 4.38Å; F365-V369 HydrophobicContact CE1-CG2 3.97Å; F365-V369 HydrophobicContact CE2-CG2 4.5Å; F365-V369 HydrophobicContact CZ-CG2 4.04Å; F365-V369 WeakPolarHBondContact O-CG2 3.45Å; F365-V369 PolarHBondContact O-N 3.17Å
366	S	74.7	Confident	79.6	Confident	92 Å²	92	63.7 Å²	63.7	64%	0.643	36%	0.355	S	S	*	.	H	α-helix	trans	-59.9	-33.9	-179	57.6	0	0	0	0	112.7	N364 T370	N364-S366 PolarHBondContact O-N 2.96Å; S366-T370 PolarHBondContact O-N 3.39Å; S366-T370 PolarHBondContact O-OG1 3.48Å
367	Y	71.1	Confident	79.5	Confident	27 Å²	27	69.1 Å²	69.1	11%	0.106	38%	0.379	C	S	.	.	H	α-helix	trans	-73.8	-45	176.3	179	-105.9	0	0	0	111.9	F308 N364 F365 V369 T370 E371	F308-Y367 HydrophobicContact CB-CD2 4.48Å; F308-Y367 HydrophobicContact CB-CE1 4.31Å; F308-Y367 HydrophobicContact CB-CE2 4.11Å; F308-Y367 HydrophobicContact CD1-CD1 4.02Å; F308-Y367 AromaticContact CD1-CD2 3.27Å; F308-Y367 HydrophobicContact CD1-CD2 3.27Å; F308-Y367 HydrophobicContact CD1-CE1 4.4Å; F308-Y367 AromaticContact CD1-CE2 3.75Å; F308-Y367 HydrophobicContact CD1-CE2 3.75Å; F308-Y367 AromaticContact CD1-CG 3.43Å; F308-Y367 HydrophobicContact CD1-CG 3.43Å; F308-Y367 VanDerWaalsContact CD1-CG 3.43Å; F308-Y367 HydrophobicContact CD2-CD2 4.11Å; F308-Y367 AromaticContact CD2-CE2 3.94Å; F308-Y367 HydrophobicContact CD2-CE2 3.94Å; F308-Y367 AromaticContact CE1-CD2 3.41Å; F308-Y367 HydrophobicContact CE1-CD2 3.41Å; F308-Y367 VanDerWaalsContact CE1-CD2 3.41Å; F308-Y367 HydrophobicContact CE1-CE2 4.19Å; F308-Y367 AromaticContact CE1-CG 3.71Å; F308-Y367 HydrophobicContact CE1-CG 3.71Å; F308-Y367 HydrophobicContact CE2-CD2 4.27Å; F308-Y367 HydrophobicContact CE2-CE2 4.42Å; F308-Y367 AromaticContact CG-CD2 3.7Å; F308-Y367 HydrophobicContact CG-CD2 3.7Å; F308-Y367 HydrophobicContact CG-CE1 4.5Å; F308-Y367 AromaticContact CG-CE2 3.65Å; F308-Y367 HydrophobicContact CG-CE2 3.65Å; F308-Y367 HydrophobicContact CG-CG 4.17Å; F308-Y367 AromaticContact CZ-CD2 3.94Å; F308-Y367 HydrophobicContact CZ-CD2 3.94Å; N364-Y367 PolarHBondContact O-N 2.73Å; N364-Y367 VanDerWaalsContact O-N 3.17Å; F365-Y367 PolarHBondContact O-N 2.68Å; Y367-V369 PolarHBondContact O-N 2.92Å; Y367-T370 CarbonylContact O-C 3.5Å; Y367-T370 WeakPolarHBondContact O-CA 3.49Å; Y367-T370 WeakPolarHBondContact O-CB 3.01Å; Y367-T370 PolarHBondContact O-N 2.99Å; Y367-E371 HydrophobicContact CD1-CG 4.15Å; Y367-E371 HydrophobicContact CD2-CG 4.35Å; Y367-E371 HydrophobicContact CE1-CG 3.51Å; Y367-E371 HydrophobicContact CE2-CG 3.73Å; Y367-E371 VanDerWaalsContact CE2-OE1 3.3Å; Y367-E371 WeakPolarHBondContact CE2-OE1 3.18Å; Y367-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y367-E371 PolarHBondContact O-N 3.12Å; Y367-E371 VanDerWaalsContact OH-CG 3.32Å; Y367-E371 WeakPolarHBondContact OH-CG 3.31Å; Y367-E371 PolarHBondContact OH-OE1 3.44Å
368	G	74.1	Confident	79.5	Confident	39 Å²	39	70.1 Å²	70.1	40%	0.402	38%	0.384	S	S	.	.	H	α-helix	trans	-54.3	-41.4	175.1	0	0	0	0	0	112.2	N364 F365 M372	N364-G368 PolarHBondContact O-N 3.3Å; F365-G368 PolarHBondContact O-N 2.91Å; G368-M372 VanDerWaalsContact O-CB 3.31Å; G368-M372 WeakPolarHBondContact O-CB 3.47Å; G368-M372 PolarHBondContact O-N 3.34Å
369	V	77	Confident	79.7	Confident	79 Å²	79	66.8 Å²	66.8	48%	0.479	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-41.9	173.8	174.6	0	0	0	0	111.8	F365 Y367 M372 Y373	F365-V369 HydrophobicContact CD1-CG2 4.38Å; F365-V369 HydrophobicContact CE1-CG2 3.97Å; F365-V369 HydrophobicContact CE2-CG2 4.5Å; F365-V369 HydrophobicContact CZ-CG2 4.04Å; F365-V369 WeakPolarHBondContact O-CG2 3.45Å; F365-V369 PolarHBondContact O-N 3.17Å; Y367-V369 PolarHBondContact O-N 2.92Å; V369-M372 PolarHBondContact O-N 3.31Å; V369-Y373 WeakPolarHBondContact O-CB 3.14Å; V369-Y373 PolarHBondContact O-N 3.02Å
370	T	74.7	Confident	79.7	Confident	69 Å²	69	64.1 Å²	64.1	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-41.8	-179.7	-57.9	0	0	0	0	112.4	S366 Y367 Y373 K374	S366-T370 PolarHBondContact O-N 3.39Å; S366-T370 PolarHBondContact O-OG1 3.48Å; Y367-T370 CarbonylContact O-C 3.5Å; Y367-T370 WeakPolarHBondContact O-CA 3.49Å; Y367-T370 WeakPolarHBondContact O-CB 3.01Å; Y367-T370 PolarHBondContact O-N 2.99Å; T370-Y373 PolarHBondContact O-N 3.28Å; T370-K374 WeakPolarHBondContact O-CG 3.41Å; T370-K374 PolarHBondContact O-N 3.04Å
371	E	76.1	Confident	79.9	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-41.1	174.1	-73.2	-58	138.8	0	0	111.4	Y367 Y373 K374 A375	Y367-E371 HydrophobicContact CD1-CG 4.15Å; Y367-E371 HydrophobicContact CD2-CG 4.35Å; Y367-E371 HydrophobicContact CE1-CG 3.51Å; Y367-E371 HydrophobicContact CE2-CG 3.73Å; Y367-E371 VanDerWaalsContact CE2-OE1 3.3Å; Y367-E371 WeakPolarHBondContact CE2-OE1 3.18Å; Y367-E371 VanDerWaalsContact CZ-OE1 3.27Å; Y367-E371 PolarHBondContact O-N 3.12Å; Y367-E371 VanDerWaalsContact OH-CG 3.32Å; Y367-E371 WeakPolarHBondContact OH-CG 3.31Å; Y367-E371 PolarHBondContact OH-OE1 3.44Å; E371-Y373 VanDerWaalsContact C-N 3.33Å; E371-Y373 PolarHBondContact O-N 3.03Å; E371-K374 PolarHBondContact O-N 3.47Å; E371-K374 WeakPolarHBondContact OE1-CE 3.39Å; E371-K374 IonicContact OE1-NZ 2.68Å; E371-K374 PolarHBondContact OE1-NZ 3.39Å; E371-K374 IonicContact OE2-NZ 3.5Å; E371-A375 VanDerWaalsContact O-CB 3.28Å; E371-A375 WeakPolarHBondContact O-CB 3.33Å; E371-A375 PolarHBondContact O-N 2.72Å
372	M	75.4	Confident	80.3	Confident	98 Å²	98	61.2 Å²	61.2	48%	0.483	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-43.8	174.4	-166.2	65.1	66.8	0	0	111.4	V330 G368 V369 A375 C376	V330-M372 HydrophobicContact CG1-SD 4.42Å; G368-M372 VanDerWaalsContact O-CB 3.31Å; G368-M372 WeakPolarHBondContact O-CB 3.47Å; G368-M372 PolarHBondContact O-N 3.34Å; V369-M372 PolarHBondContact O-N 3.31Å; M372-A375 PolarHBondContact O-N 2.76Å; M372-C376 WeakPolarHBondContact O-CB 3.33Å; M372-C376 PolarHBondContact O-N 3.13Å; M372-C376 PolarHBondContact O-SG 2.85Å; M372-C376 VanDerWaalsContact O-SG 3.33Å
373	Y	78.3	Confident	80.7	Confident	124 Å²	124	64.5 Å²	64.5	49%	0.486	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-50	173.9	174.6	-100.1	0	0	0	111.4	V369 T370 E371 A375 C376 F377 A380	V369-Y373 WeakPolarHBondContact O-CB 3.14Å; V369-Y373 PolarHBondContact O-N 3.02Å; T370-Y373 PolarHBondContact O-N 3.28Å; E371-Y373 VanDerWaalsContact C-N 3.33Å; E371-Y373 PolarHBondContact O-N 3.03Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 2.91Å; Y373-C376 PolarHBondContact O-N 2.77Å; Y373-F377 AromaticContact CD2-CD2 3.25Å; Y373-F377 HydrophobicContact CD2-CD2 3.25Å; Y373-F377 AromaticContact CD2-CE2 3.55Å; Y373-F377 HydrophobicContact CD2-CE2 3.55Å; Y373-F377 HydrophobicContact CD2-CG 4.21Å; Y373-F377 HydrophobicContact CE2-CB 4.35Å; Y373-F377 AromaticContact CE2-CD2 3.29Å; Y373-F377 HydrophobicContact CE2-CD2 3.29Å; Y373-F377 AromaticContact CE2-CE2 3.65Å; Y373-F377 HydrophobicContact CE2-CE2 3.65Å; Y373-F377 AromaticContact CE2-CG 3.86Å; Y373-F377 HydrophobicContact CE2-CG 3.86Å; Y373-F377 HydrophobicContact CE2-CZ 4.46Å; Y373-F377 HydrophobicContact CG-CD2 4.03Å; Y373-F377 WeakPolarHBondContact O-CB 3.27Å; Y373-F377 VanDerWaalsContact O-CD2 3.27Å; Y373-F377 WeakPolarHBondContact O-CD2 3.45Å; Y373-F377 PolarHBondContact O-N 2.79Å; Y373-A380 HydrophobicContact CD1-CB 4.05Å; Y373-A380 HydrophobicContact CE1-CB 3.44Å; Y373-A380 VanDerWaalsContact CE1-CB 3.44Å
374	K	77.1	Confident	81.1	Confident	30 Å²	30	61 Å²	61	13%	0.13	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-34.9	177.7	-72.9	-175.7	-60.9	-179.5	0	113	T370 E371 A380 T381	T370-K374 WeakPolarHBondContact O-CG 3.41Å; T370-K374 PolarHBondContact O-N 3.04Å; E371-K374 PolarHBondContact O-N 3.47Å; E371-K374 WeakPolarHBondContact OE1-CE 3.39Å; E371-K374 IonicContact OE1-NZ 2.68Å; E371-K374 PolarHBondContact OE1-NZ 3.39Å; E371-K374 IonicContact OE2-NZ 3.5Å; K374-A380 HydrophobicContact CG-CB 4.32Å; K374-T381 PolarHBondContact O-OG1 2.71Å
375	A	74.4	Confident	81.8	Confident	18 Å²	18	59.1 Å²	59.1	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-42.5	176.4	0	0	0	0	0	112.1	N328 V330 E371 M372 Y373	N328-A375 WeakPolarHBondContact ND2-CB 3.38Å; V330-A375 HydrophobicContact CG1-CB 3.84Å; E371-A375 VanDerWaalsContact O-CB 3.28Å; E371-A375 WeakPolarHBondContact O-CB 3.33Å; E371-A375 PolarHBondContact O-N 2.72Å; M372-A375 PolarHBondContact O-N 2.76Å; Y373-A375 VanDerWaalsContact C-N 3.3Å; Y373-A375 PolarHBondContact O-N 2.91Å
376	C	77.2	Confident	82.6	Confident	83 Å²	83	55.4 Å²	55.4	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-75.8	-39.2	179.4	-69	0	0	0	0	112.5	M372 Y373	M372-C376 WeakPolarHBondContact O-CB 3.33Å; M372-C376 PolarHBondContact O-N 3.13Å; M372-C376 PolarHBondContact O-SG 2.85Å; M372-C376 VanDerWaalsContact O-SG 3.33Å; Y373-C376 PolarHBondContact O-N 2.77Å
377	F	84.6	Confident	83.6	Confident	113 Å²	113	55.3 Å²	55.3	50%	0.496	29%	0.293	S	S	.	.			trans	-105.5	96.4	-174	-64.1	-81.8	0	0	0	111.4	Y373 G379 A380 T381	Y373-F377 AromaticContact CD2-CD2 3.25Å; Y373-F377 HydrophobicContact CD2-CD2 3.25Å; Y373-F377 AromaticContact CD2-CE2 3.55Å; Y373-F377 HydrophobicContact CD2-CE2 3.55Å; Y373-F377 HydrophobicContact CD2-CG 4.21Å; Y373-F377 HydrophobicContact CE2-CB 4.35Å; Y373-F377 AromaticContact CE2-CD2 3.29Å; Y373-F377 HydrophobicContact CE2-CD2 3.29Å; Y373-F377 AromaticContact CE2-CE2 3.65Å; Y373-F377 HydrophobicContact CE2-CE2 3.65Å; Y373-F377 AromaticContact CE2-CG 3.86Å; Y373-F377 HydrophobicContact CE2-CG 3.86Å; Y373-F377 HydrophobicContact CE2-CZ 4.46Å; Y373-F377 HydrophobicContact CG-CD2 4.03Å; Y373-F377 WeakPolarHBondContact O-CB 3.27Å; Y373-F377 VanDerWaalsContact O-CD2 3.27Å; Y373-F377 WeakPolarHBondContact O-CD2 3.45Å; Y373-F377 PolarHBondContact O-N 2.79Å; F377-G379 PolarHBondContact O-N 3.26Å; F377-G379 VanDerWaalsContact O-N 3.15Å; F377-A380 HydrophobicContact CB-CB 4.24Å; F377-A380 WeakPolarHBondContact O-CB 3.44Å; F377-A380 PolarHBondContact O-N 2.77Å; F377-T381 PolarHBondContact O-N 2.81Å
378	L	87.1	Confident	84.8	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-52.3	-39.2	178.8	179.7	59.2	0	0	0	112.6	L286 A380 T381 V382 I394 I397	L286-L378 HydrophobicContact CD1-CD1 3.56Å; L286-L378 HydrophobicContact CD2-CD1 4.22Å; L378-A380 VanDerWaalsContact C-N 3.28Å; L378-A380 PolarHBondContact O-N 2.94Å; L378-T381 PolarHBondContact O-N 3.13Å; L378-V382 HydrophobicContact CD1-CG2 4.21Å; L378-V382 HydrophobicContact CG-CG2 4.32Å; L378-V382 WeakPolarHBondContact O-CG2 3.2Å; L378-V382 PolarHBondContact O-N 3.25Å; L378-I394 HydrophobicContact CD2-CG2 3.8Å; L378-I394 HydrophobicContact CG-CG2 4.23Å; L378-I397 HydrophobicContact CD1-CB 4.46Å; L378-I397 HydrophobicContact CD1-CG2 3.99Å
379	G	89.7	Confident	85.9	Confident	34 Å²	34	52.3 Å²	52.3	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-34.2	177.8	0	0	0	0	0	114	F377 K383	F377-G379 PolarHBondContact O-N 3.26Å; F377-G379 VanDerWaalsContact O-N 3.15Å; G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 2.91Å
380	A	87.8	Confident	86.8	Confident	21 Å²	21	50.4 Å²	50.4	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-41	176.4	0	0	0	0	0	111.7	Y373 K374 F377 L378 K383 Y384	Y373-A380 HydrophobicContact CD1-CB 4.05Å; Y373-A380 HydrophobicContact CE1-CB 3.44Å; Y373-A380 VanDerWaalsContact CE1-CB 3.44Å; K374-A380 HydrophobicContact CG-CB 4.32Å; F377-A380 HydrophobicContact CB-CB 4.24Å; F377-A380 WeakPolarHBondContact O-CB 3.44Å; F377-A380 PolarHBondContact O-N 2.77Å; L378-A380 VanDerWaalsContact C-N 3.28Å; L378-A380 PolarHBondContact O-N 2.94Å; A380-K383 PolarHBondContact O-N 3Å; A380-Y384 PolarHBondContact O-N 2.82Å
381	T	89.3	Confident	87.8	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-44.2	174	-69.1	0	0	0	0	111.5	L286 V313 K374 F377 L378 Y384 L385	L286-T381 HydrophobicContact CD1-CG2 3.82Å; V313-T381 HydrophobicContact CG1-CG2 4.02Å; V313-T381 HydrophobicContact CG2-CG2 4.24Å; K374-T381 PolarHBondContact O-OG1 2.71Å; F377-T381 PolarHBondContact O-N 2.81Å; L378-T381 PolarHBondContact O-N 3.13Å; T381-Y384 PolarHBondContact O-N 2.84Å; T381-L385 HydrophobicContact CG2-CD1 4.03Å; T381-L385 WeakPolarHBondContact O-CG 3.3Å; T381-L385 PolarHBondContact O-N 2.84Å
382	V	92.8	Very high	88.8	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.7	172	0	0	0	0	111	L378 Y384 L385 Q386 I392 I394 I397	L378-V382 HydrophobicContact CD1-CG2 4.21Å; L378-V382 HydrophobicContact CG-CG2 4.32Å; L378-V382 WeakPolarHBondContact O-CG2 3.2Å; L378-V382 PolarHBondContact O-N 3.25Å; V382-Y384 VanDerWaalsContact C-N 3.26Å; V382-Y384 PolarHBondContact O-N 2.83Å; V382-L385 PolarHBondContact O-N 2.72Å; V382-L385 VanDerWaalsContact O-N 3.15Å; V382-Q386 HydrophobicContact CG1-CG 4.24Å; V382-Q386 WeakPolarHBondContact O-CB 3.09Å; V382-Q386 VanDerWaalsContact O-CG 3.3Å; V382-Q386 WeakPolarHBondContact O-CG 3.48Å; V382-Q386 PolarHBondContact O-N 3.12Å; V382-I392 HydrophobicContact CG1-CG1 4.32Å; V382-I394 HydrophobicContact CB-CG1 4.17Å; V382-I394 HydrophobicContact CG1-CG1 4.19Å; V382-I394 HydrophobicContact CG2-CG1 4.06Å; V382-I397 HydrophobicContact CG2-CG1 3.91Å
383	K	92.3	Very high	89.8	Confident	156 Å²	156	48.4 Å²	48.4	68%	0.678	25%	0.247	S	C	*	.	H	α-helix	trans	-59.6	-36.3	176.9	-170.7	176	-176.6	177.8	0	112.8	G379 A380	G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 2.91Å; A380-K383 PolarHBondContact O-N 3Å
384	Y	90.9	Very high	90.6	Very high	56 Å²	56	47 Å²	47	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-47.7	174	177.2	-99	0	0	0	111.7	P302 V313 A380 T381 V382 Q386 K387 F388	P302-Y384 WeakPolarHBondContact CB-OH 3.4Å; V313-Y384 HydrophobicContact CB-CD1 4.29Å; V313-Y384 HydrophobicContact CB-CE1 4.37Å; A380-Y384 PolarHBondContact O-N 2.82Å; T381-Y384 PolarHBondContact O-N 2.84Å; V382-Y384 VanDerWaalsContact C-N 3.26Å; V382-Y384 PolarHBondContact O-N 2.83Å; Y384-Q386 VanDerWaalsContact C-N 3.27Å; Y384-Q386 PolarHBondContact O-N 3.27Å; Y384-K387 VanDerWaalsContact O-CB 3.3Å; Y384-K387 WeakPolarHBondContact O-CB 3.4Å; Y384-K387 WeakPolarHBondContact O-CG 3.27Å; Y384-K387 PolarHBondContact O-N 3.47Å; Y384-K387 VanDerWaalsContact O-N 3.15Å; Y384-F388 HydrophobicContact CE1-CE2 4.25Å
385	L	93.8	Very high	91.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-30.8	178.4	-72.2	170	0	0	0	113	V313 F315 L325 T381 V382 K387 F388 I389 I392	V313-L385 HydrophobicContact CB-CD2 4.2Å; V313-L385 HydrophobicContact CG1-CD1 3.96Å; V313-L385 HydrophobicContact CG1-CD2 3.69Å; V313-L385 HydrophobicContact CG1-CG 3.98Å; F315-L385 HydrophobicContact CD2-CD2 4.18Å; F315-L385 HydrophobicContact CE1-CD2 4.33Å; F315-L385 HydrophobicContact CE2-CB 4.4Å; F315-L385 HydrophobicContact CE2-CD2 3.54Å; F315-L385 HydrophobicContact CZ-CB 3.89Å; F315-L385 HydrophobicContact CZ-CD2 3.64Å; F315-L385 HydrophobicContact CZ-CG 4.27Å; L325-L385 HydrophobicContact CB-CD1 4.1Å; L325-L385 HydrophobicContact CD1-CD1 3.96Å; L325-L385 HydrophobicContact CG-CD1 4.49Å; T381-L385 HydrophobicContact CG2-CD1 4.03Å; T381-L385 WeakPolarHBondContact O-CG 3.3Å; T381-L385 PolarHBondContact O-N 2.84Å; V382-L385 PolarHBondContact O-N 2.72Å; V382-L385 VanDerWaalsContact O-N 3.15Å; L385-K387 PolarHBondContact O-N 2.87Å; L385-F388 PolarHBondContact O-N 3.23Å; L385-I389 PolarHBondContact O-N 2.84Å; L385-I392 HydrophobicContact CB-CD1 3.37Å; L385-I392 HydrophobicContact CD1-CD1 4.34Å; L385-I392 HydrophobicContact CG-CD1 4.49Å
386	Q	96	Very high	92.6	Very high	69 Å²	69	49 Å²	49	32%	0.322	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.1	174.8	-80.5	178.3	-32.9	0	0	113.8	V382 Y384 F388 I389 P390 I392	V382-Q386 HydrophobicContact CG1-CG 4.24Å; V382-Q386 WeakPolarHBondContact O-CB 3.09Å; V382-Q386 VanDerWaalsContact O-CG 3.3Å; V382-Q386 WeakPolarHBondContact O-CG 3.48Å; V382-Q386 PolarHBondContact O-N 3.12Å; Y384-Q386 VanDerWaalsContact C-N 3.27Å; Y384-Q386 PolarHBondContact O-N 3.27Å; Q386-F388 PolarHBondContact O-N 3.26Å; Q386-I389 WeakPolarHBondContact CA-O 3.14Å; Q386-P390 WeakPolarHBondContact O-CA 3.25Å; Q386-P390 WeakPolarHBondContact O-CG 3.28Å; Q386-I392 HydrophobicContact CG-CD1 4.33Å; Q386-I392 HydrophobicContact CG-CG1 3.73Å; Q386-I392 PolarHBondContact NE2-O 3.19Å
387	K	95.4	Very high	93.5	Very high	89 Å²	89	45.7 Å²	45.7	39%	0.387	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32	169.3	-64.6	-172.7	169.2	-141.1	0	112.1	V141 E142 Y384 L385	V141-K387 HydrophobicContact CG2-CB 4.06Å; V141-K387 HydrophobicContact CG2-CD 4.14Å; E142-K387 IonicContact OE1-NZ 2.74Å; E142-K387 PolarHBondContact OE1-NZ 3.3Å; Y384-K387 VanDerWaalsContact O-CB 3.3Å; Y384-K387 WeakPolarHBondContact O-CB 3.4Å; Y384-K387 WeakPolarHBondContact O-CG 3.27Å; Y384-K387 PolarHBondContact O-N 3.47Å; Y384-K387 VanDerWaalsContact O-N 3.15Å; L385-K387 PolarHBondContact O-N 2.87Å
388	F	96.9	Very high	94	Very high	3 Å²	3	44 Å²	44	1%	0.013	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-46.1	179.8	-57.9	-85.1	0	0	0	111.5	V139 V141 C179 R180 I300 P302 F315 Y384 L385 Q386	V139-F388 HydrophobicContact CB-CD1 3.97Å; V139-F388 HydrophobicContact CB-CE1 3.91Å; V139-F388 HydrophobicContact CG1-CD1 4.24Å; V139-F388 HydrophobicContact CG1-CE1 4.38Å; V141-F388 HydrophobicContact CG1-CD1 3.65Å; V141-F388 HydrophobicContact CG1-CE1 3.56Å; V141-F388 HydrophobicContact CG1-CG 4.34Å; V141-F388 HydrophobicContact CG1-CZ 4.17Å; V141-F388 HydrophobicContact CG2-CE1 4.41Å; V141-F388 HydrophobicContact CG2-CZ 4.25Å; C179-F388 CarbonylContact C-O 3.6Å; C179-F388 VanDerWaalsContact CA-O 3.27Å; C179-F388 WeakPolarHBondContact CA-O 3.18Å; R180-F388 PolarHBondContact N-O 3.33Å; I300-F388 HydrophobicContact CG2-CB 4.27Å; I300-F388 HydrophobicContact CG2-CD1 4.19Å; I300-F388 HydrophobicContact CG2-CG 4.44Å; P302-F388 HydrophobicContact CB-CE1 4.44Å; P302-F388 HydrophobicContact CB-CE2 4.32Å; P302-F388 HydrophobicContact CB-CZ 3.66Å; F315-F388 HydrophobicContact CE2-CB 4Å; Y384-F388 HydrophobicContact CE1-CE2 4.25Å; L385-F388 PolarHBondContact O-N 3.23Å; Q386-F388 PolarHBondContact O-N 3.26Å
389	I	97.4	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.			trans	-128.9	90.8	-179.7	-54	-175.7	0	0	0	109.2	L295 V296 I300 F315 L385 Q386 E391 I392	L295-I389 HydrophobicContact CB-CG2 4.35Å; L295-I389 HydrophobicContact CD1-CG2 4.32Å; V296-I389 HydrophobicContact CG2-CD1 3.49Å; V296-I389 VanDerWaalsContact CG2-CD1 3.49Å; I300-I389 HydrophobicContact CD1-CD1 3.98Å; F315-I389 HydrophobicContact CD1-CD1 3.96Å; F315-I389 HydrophobicContact CD2-CD1 4.4Å; F315-I389 HydrophobicContact CE1-CD1 3.67Å; F315-I389 HydrophobicContact CE1-CG1 4.28Å; F315-I389 HydrophobicContact CE2-CD1 4.14Å; F315-I389 HydrophobicContact CE2-CG1 4.17Å; F315-I389 HydrophobicContact CG-CD1 4.33Å; F315-I389 HydrophobicContact CZ-CB 4.11Å; F315-I389 HydrophobicContact CZ-CD1 3.75Å; F315-I389 HydrophobicContact CZ-CG1 3.87Å; L385-I389 PolarHBondContact O-N 2.84Å; Q386-I389 WeakPolarHBondContact CA-O 3.14Å; I389-E391 PolarHBondContact O-N 2.91Å; I389-I392 HydrophobicContact CB-CG2 4.12Å; I389-I392 HydrophobicContact CG2-CG2 3.75Å; I389-I392 WeakPolarHBondContact O-CG1 3.45Å; I389-I392 PolarHBondContact O-N 3.07Å
390	P	96.6	Very high	94.4	Very high	39 Å²	39	49.4 Å²	49.4	25%	0.253	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23	-174.2	-27.1	37.8	0	0	0	115.3	R180 Q386 I392	R180-P390 HydrophobicContact CG-CG 4.16Å; Q386-P390 WeakPolarHBondContact O-CA 3.25Å; Q386-P390 WeakPolarHBondContact O-CG 3.28Å; P390-I392 VanDerWaalsContact C-N 3.25Å; P390-I392 PolarHBondContact O-N 2.84Å
391	E	95.6	Very high	94.6	Very high	79 Å²	79	50.8 Å²	50.8	37%	0.369	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.2	-175.5	-65.6	74.1	-165.8	0	0	113.4	R180 L295 I389	R180-E391 IonicContact NH2-OE1 3.71Å; L295-E391 HydrophobicContact CD2-CB 4.36Å; I389-E391 PolarHBondContact O-N 2.91Å
392	I	95.9	Very high	94.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.			trans	-73.4	142.8	178.5	73	-173.8	0	0	0	110.9	L288 L295 F315 V382 L385 Q386 I389 P390	L288-I392 HydrophobicContact CD1-CG2 4.4Å; L295-I392 HydrophobicContact CD1-CG2 3.88Å; F315-I392 HydrophobicContact CE1-CD1 4.33Å; F315-I392 HydrophobicContact CZ-CD1 4.09Å; V382-I392 HydrophobicContact CG1-CG1 4.32Å; L385-I392 HydrophobicContact CB-CD1 3.37Å; L385-I392 HydrophobicContact CD1-CD1 4.34Å; L385-I392 HydrophobicContact CG-CD1 4.49Å; Q386-I392 HydrophobicContact CG-CD1 4.33Å; Q386-I392 HydrophobicContact CG-CG1 3.73Å; Q386-I392 PolarHBondContact NE2-O 3.19Å; I389-I392 HydrophobicContact CB-CG2 4.12Å; I389-I392 HydrophobicContact CG2-CG2 3.75Å; I389-I392 WeakPolarHBondContact O-CG1 3.45Å; I389-I392 PolarHBondContact O-N 3.07Å; P390-I392 VanDerWaalsContact C-N 3.25Å; P390-I392 PolarHBondContact O-N 2.84Å
393	T	96.3	Very high	94.9	Very high	54 Å²	54	51 Å²	51	33%	0.331	26%	0.262	S	S	.	.			trans	-127.5	167.4	176.1	67.5	0	0	0	0	110.9	S395 D396	T393-S395 PolarHBondContact O-N 3.04Å; T393-S395 PolarHBondContact OG1-OG 3.11Å; T393-D396 PolarHBondContact N-OD2 3.09Å; T393-D396 WeakPolarHBondContact O-CB 3.47Å; T393-D396 PolarHBondContact O-N 2.93Å; T393-D396 PolarHBondContact OG1-OD2 3.39Å
394	I	95.4	Very high	94.9	Very high	94 Å²	94	43.8 Å²	43.8	48%	0.482	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.8	-36.8	177.5	-62.5	173.4	0	0	0	111.3	L378 V382 D396 I397	L378-I394 HydrophobicContact CD2-CG2 3.8Å; L378-I394 HydrophobicContact CG-CG2 4.23Å; V382-I394 HydrophobicContact CB-CG1 4.17Å; V382-I394 HydrophobicContact CG1-CG1 4.19Å; V382-I394 HydrophobicContact CG2-CG1 4.06Å; I394-D396 PolarHBondContact O-N 3.04Å; I394-I397 PolarHBondContact O-N 2.72Å
395	S	96.4	Very high	94.9	Very high	78 Å²	78	45.5 Å²	45.5	55%	0.545	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.2	-12.8	178.2	43.1	0	0	0	0	114.2	K289 T393	K289-S395 WeakPolarHBondContact CD-O 3.46Å; K289-S395 WeakPolarHBondContact CE-O 3.45Å; K289-S395 PolarHBondContact NZ-O 3.29Å; T393-S395 PolarHBondContact O-N 3.04Å; T393-S395 PolarHBondContact OG1-OG 3.11Å
396	D	96.9	Very high	94.8	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.064	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-89.6	-4.8	178.5	-58.7	-38	0	0	0	112.6	L288 K289 K292 T393 I394	L288-D396 HydrophobicContact CD1-CB 4.08Å; K289-D396 WeakPolarHBondContact CB-O 3.43Å; K289-D396 WeakPolarHBondContact CG-O 3.27Å; K289-D396 PolarHBondContact N-O 2.87Å; K292-D396 WeakPolarHBondContact CE-OD1 3.32Å; K292-D396 HydrophobicContact CG-CB 3.96Å; T393-D396 PolarHBondContact N-OD2 3.09Å; T393-D396 WeakPolarHBondContact O-CB 3.47Å; T393-D396 PolarHBondContact O-N 2.93Å; T393-D396 PolarHBondContact OG1-OD2 3.39Å; I394-D396 PolarHBondContact O-N 3.04Å
397	I	96.1	Very high	94.5	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.072	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.1	-170.9	-51.9	-48.3	0	0	0	111.4	L286 L287 L288 L325 L378 V382 I394	L286-I397 HydrophobicContact CB-CG2 3.58Å; L286-I397 HydrophobicContact CD1-CG2 3.96Å; L286-I397 HydrophobicContact CD2-CG2 4.33Å; L286-I397 HydrophobicContact CG-CG2 4.16Å; L287-I397 CarbonylContact O-C 3.59Å; L287-I397 WeakPolarHBondContact O-CA 3.25Å; L288-I397 HydrophobicContact CD1-CD1 3.76Å; L325-I397 HydrophobicContact CD1-CD1 3.36Å; L325-I397 HydrophobicContact CD1-CG1 4.36Å; L325-I397 HydrophobicContact CD1-CG2 4.41Å; L378-I397 HydrophobicContact CD1-CB 4.46Å; L378-I397 HydrophobicContact CD1-CG2 3.99Å; V382-I397 HydrophobicContact CG2-CG1 3.91Å; I394-I397 PolarHBondContact O-N 2.72Å
398	L	95.4	Very high	94.4	Very high	78 Å²	78	40.1 Å²	40.1	41%	0.408	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	161.3	171.3	-55.6	175.6	0	0	0	110.2	L286 L287 K289	L286-L398 CarbonylContact C-O 3.6Å; L286-L398 WeakPolarHBondContact CA-O 3.3Å; L287-L398 HydrophobicContact CB-CB 4.24Å; L287-L398 PolarHBondContact N-O 2.96Å; L287-L398 PolarHBondContact O-N 3.18Å; K289-L398 HydrophobicContact CG-CD1 4.01Å; K289-L398 HydrophobicContact CG-CD2 4.08Å; K289-L398 HydrophobicContact CG-CG 3.78Å
399	R	92.4	Very high	94.1	Very high	156 Å²	156	40 Å²	40	59%	0.589	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.1	169.7	-66.1	-66.5	176.6	173.1	-0.9	109.5
400	G	92.4	Very high	93.8	Very high	28 Å²	28	42.3 Å²	42.3	29%	0.289	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-172.3	178.7	0	0	0	0	0	112.7	Y285	Y285-G400 CarbonylContact O-C 3.54Å; Y285-G400 WeakPolarHBondContact O-CA 3.2Å; Y285-G400 PolarHBondContact O-N 3.49Å
401	P	93.4	Very high	93.4	Very high	50 Å²	50	47.4 Å²	47.4	33%	0.325	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	173.1	175.1	31.2	-33.7	0	0	0	111.2	Y285 W324	Y285-P401 WeakPolarHBondContact CB-O 3.28Å; Y285-P401 WeakPolarHBondContact CD2-O 3.41Å; Y285-P401 PolarHBondContact N-O 3.46Å; W324-P401 HydrophobicContact CD2-CG 4.37Å; W324-P401 HydrophobicContact CE3-CG 4.24Å; W324-P401 HydrophobicContact CH2-CB 4.32Å; W324-P401 HydrophobicContact CH2-CG 3.22Å; W324-P401 HydrophobicContact CZ2-CG 3.37Å; W324-P401 HydrophobicContact CZ3-CG 3.68Å
402	A	93.4	Very high	93	Very high	10 Å²	10	48 Å²	48	8%	0.083	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.6	171.2	0	0	0	0	0	110.5	H92 R282 G283 Y338	H92-A402 PolarHBondContact ND1-O 3.37Å; R282-A402 HydrophobicContact CG-CB 4.06Å; G283-A402 CarbonylContact O-C 3.52Å; G283-A402 VanDerWaalsContact O-CA 3.28Å; G283-A402 WeakPolarHBondContact O-CA 3.42Å; Y338-A402 WeakPolarHBondContact O-CB 3.32Å
403	G	93.3	Very high	92.5	Very high	6 Å²	6	48 Å²	48	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.2	164.2	0	0	0	0	0	111.1	R282 G283	R282-G403 CarbonylContact C-O 3.38Å; R282-G403 WeakPolarHBondContact CA-O 3.47Å; G283-G403 PolarHBondContact N-O 3.35Å; G283-G403 PolarHBondContact O-N 3.11Å
404	V	93.2	Very high	92.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.3	175.5	-171.3	0	0	0	0	108.9	Q89 L261 P280 F281 R282 A332 R335 G337 Y338	Q89-V404 WeakPolarHBondContact CG-O 3.4Å; L261-V404 HydrophobicContact CD1-CB 4.39Å; L261-V404 HydrophobicContact CD2-CB 4.44Å; L261-V404 HydrophobicContact CD2-CG1 3.86Å; P280-V404 HydrophobicContact CB-CG1 3.6Å; F281-V404 CarbonylContact O-C 3.48Å; F281-V404 WeakPolarHBondContact O-CA 3.46Å; R282-V404 HydrophobicContact CB-CG2 4.31Å; R282-V404 HydrophobicContact CG-CG2 4.41Å; A332-V404 HydrophobicContact CB-CG1 4.49Å; R335-V404 WeakPolarHBondContact O-CG1 3.22Å; G337-V404 WeakPolarHBondContact O-CG2 3.39Å; Y338-V404 HydrophobicContact CD1-CG2 3.83Å; Y338-V404 HydrophobicContact CE1-CB 4.26Å; Y338-V404 HydrophobicContact CE1-CG2 3.85Å; Y338-V404 HydrophobicContact CG-CG2 4.39Å
405	R	91.1	Very high	91.7	Very high	93 Å²	93	46.9 Å²	46.9	35%	0.351	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.3	175.5	-64.1	-176.8	-179.8	176	3.3	109	P280 F281 Q407	P280-R405 WeakPolarHBondContact CA-O 3.4Å; F281-R405 PolarHBondContact N-O 2.93Å; F281-R405 PolarHBondContact O-N 3.39Å; R405-Q407 PolarHBondContact O-N 3.44Å
406	A	91.3	Very high	91.2	Very high	16 Å²	16	44.6 Å²	44.6	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	96.8	164.9	0	0	0	0	0	108.4	Q89 L261 I278	Q89-A406 VanDerWaalsContact NE2-N 3.17Å; L261-A406 HydrophobicContact CD2-CB 3.76Å; L261-A406 HydrophobicContact CG-CB 4.15Å; I278-A406 HydrophobicContact CG2-CB 3.74Å
407	Q	90.6	Very high	90.3	Very high	28 Å²	28	50.2 Å²	50.2	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.3	179.4	-170.9	61.8	58.4	0	0	109.3	V279 F281 R405 L415	V279-Q407 PolarHBondContact N-O 3.32Å; V279-Q407 WeakPolarHBondContact O-CB 3.41Å; V279-Q407 PolarHBondContact O-N 3.22Å; F281-Q407 HydrophobicContact CD2-CB 3.71Å; F281-Q407 HydrophobicContact CD2-CG 4.23Å; F281-Q407 HydrophobicContact CE2-CB 4.11Å; F281-Q407 HydrophobicContact CE2-CG 4.27Å; R405-Q407 PolarHBondContact O-N 3.44Å; Q407-L415 HydrophobicContact CG-CD1 4.37Å; Q407-L415 HydrophobicContact CG-CD2 3.47Å; Q407-L415 VanDerWaalsContact CG-CD2 3.47Å; Q407-L415 HydrophobicContact CG-CG 4.44Å
408	A	91.9	Very high	89.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.8	172.5	0	0	0	0	0	110.4	P276 R277 I278 V416 N437	P276-A408 HydrophobicContact CB-CB 4.08Å; P276-A408 HydrophobicContact CG-CB 4.25Å; R277-A408 CarbonylContact O-C 3.49Å; R277-A408 WeakPolarHBondContact O-CA 3.45Å; I278-A408 HydrophobicContact CD1-CB 3.92Å; A408-V416 HydrophobicContact CB-CB 3.85Å; A408-V416 HydrophobicContact CB-CG2 4.08Å; A408-V416 PolarHBondContact O-N 2.66Å; A408-N437 HydrophobicContact CB-CB 3.87Å; A408-N437 VanDerWaalsContact CB-CG 3.41Å; A408-N437 WeakPolarHBondContact CB-OD1 3.14Å
409	L	91.2	Very high	88.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.5	-176.5	-166.8	73.9	0	0	0	109.3	P276 R277 V279 L357 L360 G413 L415	P276-L409 WeakPolarHBondContact CA-O 3.37Å; R277-L409 PolarHBondContact N-O 2.92Å; R277-L409 PolarHBondContact O-N 2.78Å; V279-L409 HydrophobicContact CG2-CB 4.25Å; V279-L409 HydrophobicContact CG2-CD2 4.02Å; L357-L409 HydrophobicContact CB-CD2 3.9Å; L357-L409 HydrophobicContact CD1-CD2 4.48Å; L360-L409 HydrophobicContact CB-CD1 4.49Å; L360-L409 HydrophobicContact CD2-CD1 4.03Å; L409-G413 WeakPolarHBondContact CD1-O 3.41Å; L409-L415 HydrophobicContact CD1-CD2 3.62Å
410	D	90.4	Very high	88.4	Confident	47 Å²	47	43.6 Å²	43.6	25%	0.251	23%	0.225	S	C	.	.			trans	-82.2	176.2	171.1	72.7	16.3	0	0	0	112	D412 G413 N414	D410-D412 PolarHBondContact O-N 3.2Å; D410-D412 WeakPolarHBondContact OD1-CA 3.36Å; D410-D412 PolarHBondContact OD1-N 2.97Å; D410-G413 PolarHBondContact O-N 2.78Å; D410-G413 PolarHBondContact OD1-N 3.21Å; D410-N414 PolarHBondContact N-O 3.23Å; D410-N414 VanDerWaalsContact N-O 3.11Å; D410-N414 PolarHBondContact OD1-N 3.14Å; D410-N414 PolarHBondContact OD1-ND2 3.28Å; D410-N414 VanDerWaalsContact OD2-CB 3.32Å; D410-N414 WeakPolarHBondContact OD2-CB 3.26Å; D410-N414 PolarHBondContact OD2-ND2 3.06Å
411	R	88.2	Confident	88.2	Confident	146 Å²	146	44.7 Å²	44.7	55%	0.551	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.1	178.8	-64.7	-174.8	177.1	175.5	4.9	114.2	D275 K359	D275-R411 VanDerWaalsContact OD1-CG 3.24Å; D275-R411 WeakPolarHBondContact OD1-CG 3.15Å; D275-R411 IonicContact OD1-NE 3.28Å; D275-R411 IonicContact OD2-CZ 3.75Å; D275-R411 IonicContact OD2-NE 2.6Å; D275-R411 PolarHBondContact OD2-NE 3.49Å; D275-R411 IonicContact OD2-NH2 3.16Å; D275-R411 PolarHBondContact OD2-NH2 3.46Å; K359-R411 PolarHBondContact NZ-O 2.89Å
412	D	88.3	Confident	87.9	Confident	92 Å²	92	44.7 Å²	44.7	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.3	-179.1	-68.7	-42.1	0	0	0	113	K359 D410	K359-D412 WeakPolarHBondContact CD-O 3.47Å; K359-D412 IonicContact NZ-OD1 3.27Å; K359-D412 PolarHBondContact NZ-OD1 3.13Å; D410-D412 PolarHBondContact O-N 3.2Å; D410-D412 WeakPolarHBondContact OD1-CA 3.36Å; D410-D412 PolarHBondContact OD1-N 2.97Å
413	G	85.8	Confident	87.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	84.2	13.4	179.6	0	0	0	0	0	112.9	G356 L360 L409 D410	G356-G413 WeakPolarHBondContact O-CA 3Å; L360-G413 WeakPolarHBondContact CD1-O 3.24Å; L409-G413 WeakPolarHBondContact CD1-O 3.41Å; D410-G413 PolarHBondContact O-N 2.78Å; D410-G413 PolarHBondContact OD1-N 3.21Å
414	N	87.8	Confident	87	Confident	87 Å²	87	45.9 Å²	45.9	47%	0.465	23%	0.23	S	C	.	.			trans	-82.6	136.3	172.8	-46.5	-66.3	0	0	0	110	D410 V416	D410-N414 PolarHBondContact N-O 3.23Å; D410-N414 VanDerWaalsContact N-O 3.11Å; D410-N414 PolarHBondContact OD1-N 3.14Å; D410-N414 PolarHBondContact OD1-ND2 3.28Å; D410-N414 VanDerWaalsContact OD2-CB 3.32Å; D410-N414 WeakPolarHBondContact OD2-CB 3.26Å; D410-N414 PolarHBondContact OD2-ND2 3.06Å; N414-V416 PolarHBondContact O-N 3.29Å
415	L	86.6	Confident	86.5	Confident	37 Å²	37	50.1 Å²	50.1	19%	0.194	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-69.3	124.8	171.2	-61.6	-169	0	0	0	109	P309 L360 Q407 L409 E417	P309-L415 HydrophobicContact CB-CD1 3.45Å; P309-L415 VanDerWaalsContact CB-CD1 3.45Å; P309-L415 HydrophobicContact CG-CD1 4.41Å; L360-L415 HydrophobicContact CD2-CD2 4.09Å; Q407-L415 HydrophobicContact CG-CD1 4.37Å; Q407-L415 HydrophobicContact CG-CD2 3.47Å; Q407-L415 VanDerWaalsContact CG-CD2 3.47Å; Q407-L415 HydrophobicContact CG-CG 4.44Å; L409-L415 HydrophobicContact CD1-CD2 3.62Å; L415-E417 PolarHBondContact O-N 2.66Å
416	V	86.3	Confident	86.3	Confident	29 Å²	29	48.6 Å²	48.6	18%	0.176	27%	0.268	C	S	.	.			trans	-70.6	109.9	177	-175	0	0	0	0	108.9	P276 A408 N414 V420 N437	P276-V416 HydrophobicContact CB-CG2 3.85Å; A408-V416 HydrophobicContact CB-CB 3.85Å; A408-V416 HydrophobicContact CB-CG2 4.08Å; A408-V416 PolarHBondContact O-N 2.66Å; N414-V416 PolarHBondContact O-N 3.29Å; V416-V420 HydrophobicContact CG1-CG2 3.58Å; V416-N437 PolarHBondContact O-ND2 2.65Å
417	E	76.9	Confident	85.8	Confident	131 Å²	131	54.5 Å²	54.5	61%	0.612	30%	0.298	S	S	*	.			trans	-86	-11.6	-174.4	-65.2	-161.1	160	0	0	113.9	K109 L415	K109-E417 WeakPolarHBondContact CD-O 3.44Å; K109-E417 WeakPolarHBondContact CE-O 3.27Å; K109-E417 PolarHBondContact NZ-O 3.02Å; L415-E417 PolarHBondContact O-N 2.66Å
418	D	79	Confident	85.6	Confident	54 Å²	54	53.7 Å²	53.7	29%	0.289	29%	0.294	S	S	.	.	S	Bend	trans	-124.7	173.6	-179.1	-140.5	-24.1	0	0	0	112.6	L108 N437	L108-D418 WeakPolarHBondContact CB-OD1 3.4Å; D418-N437 PolarHBondContact O-ND2 2.76Å
419	F	80.9	Confident	85.3	Confident	25 Å²	25	54 Å²	54	11%	0.11	30%	0.297	C	S	.	.			trans	-59.9	139.8	175.6	-67.7	-86.4	0	0	0	110.7	L108 L112 F421 N437 A438 I449	L108-F419 HydrophobicContact CB-CD2 4.42Å; L112-F419 HydrophobicContact CD1-CD2 4.09Å; L112-F419 HydrophobicContact CD1-CE2 3.52Å; L112-F419 HydrophobicContact CD1-CZ 4.11Å; F419-F421 HydrophobicContact CB-CE2 4.24Å; F419-F421 HydrophobicContact CB-CZ 4.27Å; F419-N437 WeakPolarHBondContact CA-O 3.28Å; F419-N437 WeakPolarHBondContact CD1-O 3.37Å; F419-A438 HydrophobicContact CD1-CB 4.34Å; F419-A438 HydrophobicContact CE1-CB 3.94Å; F419-I449 HydrophobicContact CE1-CD1 3.58Å; F419-I449 HydrophobicContact CE1-CG1 3.72Å; F419-I449 HydrophobicContact CE1-CG2 3.99Å; F419-I449 HydrophobicContact CE2-CG1 4.37Å; F419-I449 HydrophobicContact CZ-CD1 3.4Å; F419-I449 HydrophobicContact CZ-CG1 3.48Å; F419-I449 VanDerWaalsContact CZ-CG1 3.48Å
420	V	85.6	Confident	85.1	Confident	29 Å²	29	60 Å²	60	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.6	173.1	-179.4	0	0	0	0	107.7	P276 V416 R436 N437	P276-V420 HydrophobicContact CG-CB 4.48Å; P276-V420 HydrophobicContact CG-CG1 4.27Å; P276-V420 HydrophobicContact CG-CG2 4.28Å; V416-V420 HydrophobicContact CG1-CG2 3.58Å; V420-R436 HydrophobicContact CB-CB 4.11Å; V420-R436 HydrophobicContact CG1-CB 3.99Å; V420-R436 PolarHBondContact O-N 3.24Å; V420-N437 HydrophobicContact CB-CB 4.02Å; V420-N437 HydrophobicContact CG2-CB 3.93Å; V420-N437 PolarHBondContact N-O 3.44Å
421	F	88.3	Confident	85.2	Confident	52 Å²	52	61.1 Å²	61.1	23%	0.228	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.2	169.9	-60.5	-57.4	0	0	0	108.6	F419 L433 H434 V435 M452 I453	F419-F421 HydrophobicContact CB-CE2 4.24Å; F419-F421 HydrophobicContact CB-CZ 4.27Å; F421-L433 HydrophobicContact CB-CD1 4.1Å; F421-L433 HydrophobicContact CD1-CD1 4.48Å; F421-H434 VanDerWaalsContact CA-O 3.3Å; F421-H434 WeakPolarHBondContact CA-O 3.25Å; F421-V435 HydrophobicContact CD1-CG2 4.12Å; F421-V435 HydrophobicContact CE1-CB 4.46Å; F421-V435 HydrophobicContact CE1-CG1 4.12Å; F421-V435 HydrophobicContact CE1-CG2 3.93Å; F421-M452 HydrophobicContact CE2-CG 4.16Å; F421-M452 HydrophobicContact CE2-SD 3.76Å; F421-M452 HydrophobicContact CZ-CG 4.24Å; F421-M452 HydrophobicContact CZ-SD 3.97Å; F421-I453 HydrophobicContact CE1-CG1 3.86Å; F421-I453 HydrophobicContact CZ-CG1 4.14Å
422	D	86.9	Confident	85.6	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.9	175.6	-90.2	-8.6	0	0	0	110.7	H434 R436	D422-H434 HydrophobicContact CB-CB 4.2Å; D422-H434 PolarHBondContact N-O 2.65Å; D422-H434 PolarHBondContact O-N 2.93Å; D422-R436 HydrophobicContact CB-CG 4.21Å; D422-R436 WeakPolarHBondContact OD2-CD 3.48Å; D422-R436 IonicContact OD2-CZ 3.57Å; D422-R436 IonicContact OD2-NE 3.44Å; D422-R436 IonicContact OD2-NH1 2.76Å; D422-R436 PolarHBondContact OD2-NH1 3.48Å
423	A	86.1	Confident	86	Confident	31 Å²	31	49.8 Å²	49.8	26%	0.256	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.2	172.9	0	0	0	0	0	109.8	C272 R460	C272-A423 PolarHBondContact SG-O 3.26Å; A423-R460 VanDerWaalsContact CB-NH1 3.3Å
424	G	80.3	Confident	86.5	Confident	10 Å²	10	49.8 Å²	49.8	10%	0.103	28%	0.28	C	S	.	.			trans	-62.8	175.2	172.3	0	0	0	0	0	112.7	S270 G429	S270-G424 VanDerWaalsContact OG-CA 3.26Å; S270-G424 WeakPolarHBondContact OG-CA 3.21Å; G424-G429 WeakPolarHBondContact O-CA 3.21Å
425	V	83.9	Confident	86.9	Confident	94 Å²	94	45.9 Å²	45.9	57%	0.57	26%	0.259	S	S	*	.	S	Bend	trans	-111.6	142.9	-177.4	-178.5	0	0	0	0	111.3	S270 G271 I428	S270-V425 PolarHBondContact O-N 3.27Å; G271-V425 VanDerWaalsContact O-CG2 3.25Å; G271-V425 WeakPolarHBondContact O-CG2 3.3Å; V425-I428 WeakPolarHBondContact O-CG2 3.44Å
426	G	85.8	Confident	87.2	Confident	60 Å²	60	44.2 Å²	44.2	62%	0.619	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	72.2	-142.1	-179.8	0	0	0	0	0	112.4	I428 G429	G426-I428 PolarHBondContact O-N 3.24Å; G426-I428 VanDerWaalsContact O-N 3.09Å; G426-G429 PolarHBondContact O-N 3.05Å
427	N	81.3	Confident	87.4	Confident	141 Å²	141	43 Å²	43	75%	0.754	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.2	-20.4	-171.8	-65.4	-15.5	0	0	0	114.1	M224	M224-N427 HydrophobicContact CG-CB 4.06Å; M224-N427 HydrophobicContact SD-CB 4.42Å
428	I	87.3	Confident	87.7	Confident	11 Å²	11	38.5 Å²	38.5	6%	0.056	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-86.1	-18.6	179	-146.2	178.5	0	0	0	112.8	I222 M224 I240 S270 V425 G426 N430 R431 V432	I222-I428 HydrophobicContact CB-CD1 4.33Å; I222-I428 HydrophobicContact CG2-CD1 3.64Å; I222-I428 WeakPolarHBondContact O-CD1 3.43Å; M224-I428 HydrophobicContact SD-CB 4.49Å; M224-I428 HydrophobicContact SD-CG1 4.35Å; I240-I428 HydrophobicContact CD1-CD1 4.16Å; I240-I428 HydrophobicContact CD1-CG1 3.53Å; S270-I428 WeakPolarHBondContact O-CG2 3.4Å; V425-I428 WeakPolarHBondContact O-CG2 3.44Å; G426-I428 PolarHBondContact O-N 3.24Å; G426-I428 VanDerWaalsContact O-N 3.09Å; I428-N430 PolarHBondContact O-N 3.14Å; I428-R431 WeakPolarHBondContact O-CA 3.25Å; I428-R431 WeakPolarHBondContact O-CB 3.31Å; I428-R431 PolarHBondContact O-N 3.46Å; I428-V432 HydrophobicContact CD1-CG2 4.15Å; I428-V432 HydrophobicContact CG1-CG2 3.82Å; I428-V432 PolarHBondContact O-N 3.04Å
429	G	84.9	Confident	87.5	Confident	5 Å²	5	36.6 Å²	36.6	5%	0.052	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.8	-38.7	-166	0	0	0	0	0	114.9	G424 G426 R431	G424-G429 WeakPolarHBondContact O-CA 3.21Å; G426-G429 PolarHBondContact O-N 3.05Å; G429-R431 PolarHBondContact O-N 3.33Å
430	N	86.8	Confident	87.2	Confident	130 Å²	130	38.7 Å²	38.7	70%	0.695	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-77.7	0.9	177.6	-62.6	-14.7	0	0	0	113	I428 F461	I428-N430 PolarHBondContact O-N 3.14Å; N430-F461 WeakPolarHBondContact O-CD1 3.05Å
431	R	93.3	Very high	87.3	Confident	70 Å²	70	37.5 Å²	37.5	26%	0.264	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-115.8	-3.9	-175.5	-62.2	-178.8	175.9	-76.8	-3.9	113.7	P239 I240 Q253 Y254 V255 I428 G429	P239-R431 VanDerWaalsContact CG-CZ 3.43Å; I240-R431 HydrophobicContact CD1-CB 4Å; I240-R431 HydrophobicContact CG1-CB 4.16Å; Q253-R431 PolarHBondContact O-NH1 3.18Å; Y254-R431 CarbonylContact C-O 3.47Å; Y254-R431 VanDerWaalsContact CA-O 3.25Å; Y254-R431 WeakPolarHBondContact CA-O 3.4Å; Y254-R431 HydrophobicContact CD1-CB 4.31Å; Y254-R431 HydrophobicContact CD1-CG 4.43Å; Y254-R431 HydrophobicContact CE1-CG 4.48Å; V255-R431 PolarHBondContact N-O 3.14Å; I428-R431 WeakPolarHBondContact O-CA 3.25Å; I428-R431 WeakPolarHBondContact O-CB 3.31Å; I428-R431 PolarHBondContact O-N 3.46Å; G429-R431 PolarHBondContact O-N 3.33Å
432	V	95.7	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.7	-174.8	-172.6	0	0	0	0	110.7	V255 T257 I428 H434	V255-V432 HydrophobicContact CB-CG1 4.17Å; V255-V432 HydrophobicContact CB-CG2 4.12Å; V255-V432 HydrophobicContact CG2-CG2 4.37Å; V255-V432 CarbonylContact O-C 3.57Å; V255-V432 VanDerWaalsContact O-CA 3.31Å; V255-V432 WeakPolarHBondContact O-CA 3.4Å; T257-V432 HydrophobicContact CG2-CG1 4.49Å; I428-V432 HydrophobicContact CD1-CG2 4.15Å; I428-V432 HydrophobicContact CG1-CG2 3.82Å; I428-V432 PolarHBondContact O-N 3.04Å; V432-H434 WeakPolarHBondContact CG1-CE1 3.45Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.36Å
433	L	96.8	Very high	87.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.5	169.1	179.4	67.1	0	0	0	109.5	V255 V256 T257 F421 I453 E456 V457 F461	V255-L433 PolarHBondContact O-N 2.86Å; V256-L433 CarbonylContact C-O 3.57Å; V256-L433 VanDerWaalsContact CA-O 3.3Å; V256-L433 WeakPolarHBondContact CA-O 3.37Å; V256-L433 HydrophobicContact CG1-CD2 4.44Å; T257-L433 PolarHBondContact N-O 3.03Å; F421-L433 HydrophobicContact CB-CD1 4.1Å; F421-L433 HydrophobicContact CD1-CD1 4.48Å; L433-I453 HydrophobicContact CD2-CG2 4.36Å; L433-E456 HydrophobicContact CD1-CG 3.69Å; L433-E456 HydrophobicContact CD2-CB 4.14Å; L433-E456 HydrophobicContact CD2-CG 3.68Å; L433-E456 HydrophobicContact CG-CG 4.35Å; L433-V457 HydrophobicContact CD2-CG2 3.62Å; L433-F461 HydrophobicContact CB-CZ 4.09Å
434	H	97	Very high	88.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119	176.4	-66.7	-66.5	0	0	0	111.3	T257 S270 C272 F421 D422 V432 R436	T257-H434 VanDerWaalsContact CG2-ND1 3.3Å; T257-H434 WeakPolarHBondContact CG2-ND1 3.25Å; T257-H434 WeakPolarHBondContact OG1-CA 3.41Å; T257-H434 PolarHBondContact OG1-ND1 3.41Å; S270-H434 PolarHBondContact OG-NE2 3.49Å; C272-H434 VanDerWaalsContact SG-CD2 3.53Å; F421-H434 VanDerWaalsContact CA-O 3.3Å; F421-H434 WeakPolarHBondContact CA-O 3.25Å; D422-H434 HydrophobicContact CB-CB 4.2Å; D422-H434 PolarHBondContact N-O 2.65Å; D422-H434 PolarHBondContact O-N 2.93Å; V432-H434 WeakPolarHBondContact CG1-CE1 3.45Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.36Å; H434-R436 HydrophobicContact CB-CG 3.81Å; H434-R436 PolarHBondContact O-N 3.37Å
435	V	95.6	Very high	89.2	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	91.5	165.2	-171.2	0	0	0	0	108.1	T257 F421 A438 I453	T257-V435 WeakPolarHBondContact O-CA 3.35Å; T257-V435 VanDerWaalsContact O-CB 3.31Å; T257-V435 WeakPolarHBondContact O-CB 3.19Å; T257-V435 PolarHBondContact O-N 2.94Å; F421-V435 HydrophobicContact CD1-CG2 4.12Å; F421-V435 HydrophobicContact CE1-CB 4.46Å; F421-V435 HydrophobicContact CE1-CG1 4.12Å; F421-V435 HydrophobicContact CE1-CG2 3.93Å; V435-A438 HydrophobicContact CG1-CB 4.23Å; V435-I453 HydrophobicContact CG2-CD1 3.79Å; V435-I453 HydrophobicContact CG2-CG1 4.13Å
436	R	92.6	Very high	89.9	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-28.1	-172.3	-66.5	-168.3	70	169	4.5	114	S263 S267 T273 P274 D275 P276 V420 D422 H434	S263-R436 WeakPolarHBondContact CB-O 3.44Å; S263-R436 PolarHBondContact OG-O 2.97Å; S267-R436 PolarHBondContact OG-NE 2.89Å; S267-R436 PolarHBondContact OG-NH2 3.5Å; T273-R436 VanDerWaalsContact O-CZ 3.26Å; T273-R436 PolarHBondContact O-NH1 3.01Å; T273-R436 PolarHBondContact O-NH2 2.81Å; P274-R436 VanDerWaalsContact C-NH2 3.25Å; P274-R436 PolarHBondContact O-NH2 3.06Å; P274-R436 VanDerWaalsContact O-NH2 3.14Å; D275-R436 VanDerWaalsContact C-NH2 3.31Å; D275-R436 PolarHBondContact O-NH1 2.99Å; D275-R436 PolarHBondContact O-NH2 3.47Å; P276-R436 PolarHBondContact O-NH2 2.95Å; V420-R436 HydrophobicContact CB-CB 4.11Å; V420-R436 HydrophobicContact CG1-CB 3.99Å; V420-R436 PolarHBondContact O-N 3.24Å; D422-R436 HydrophobicContact CB-CG 4.21Å; D422-R436 WeakPolarHBondContact OD2-CD 3.48Å; D422-R436 IonicContact OD2-CZ 3.57Å; D422-R436 IonicContact OD2-NE 3.44Å; D422-R436 IonicContact OD2-NH1 2.76Å; D422-R436 PolarHBondContact OD2-NH1 3.48Å; H434-R436 HydrophobicContact CB-CG 3.81Å; H434-R436 PolarHBondContact O-N 3.37Å
437	N	89.8	Confident	90.5	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	120.9	174.4	-169.2	33.9	0	0	0	109.9	A408 V416 D418 F419 V420	A408-N437 HydrophobicContact CB-CB 3.87Å; A408-N437 VanDerWaalsContact CB-CG 3.41Å; A408-N437 WeakPolarHBondContact CB-OD1 3.14Å; V416-N437 PolarHBondContact O-ND2 2.65Å; D418-N437 PolarHBondContact O-ND2 2.76Å; F419-N437 WeakPolarHBondContact CA-O 3.28Å; F419-N437 WeakPolarHBondContact CD1-O 3.37Å; V420-N437 HydrophobicContact CB-CB 4.02Å; V420-N437 HydrophobicContact CG2-CB 3.93Å; V420-N437 PolarHBondContact N-O 3.44Å
438	A	83.6	Confident	91.2	Very high	36 Å²	36	19.8 Å²	19.8	30%	0.298	12%	0.118	S	C	.	.			trans	-128.8	74.9	168.9	0	0	0	0	0	107.8	V59 F419 V435 A442	V59-A438 HydrophobicContact CG2-CB 4.21Å; F419-A438 HydrophobicContact CD1-CB 4.34Å; F419-A438 HydrophobicContact CE1-CB 3.94Å; V435-A438 HydrophobicContact CG1-CB 4.23Å; A438-A442 HydrophobicContact CB-CB 4.14Å; A438-A442 WeakPolarHBondContact O-CB 3.29Å
439	P	75.7	Confident	91.6	Very high	14 Å²	14	19.2 Å²	19.2	9%	0.091	12%	0.116	C	C	.	.			trans	-70.2	167.5	-172	30.3	-36.6	0	0	0	111.7	K109 A442	K109-P439 HydrophobicContact CD-CG 4.48Å; P439-A442 WeakPolarHBondContact O-CB 3.29Å; P439-A442 PolarHBondContact O-N 3.47Å
440	S	75	Confident	92.2	Very high	69 Å²	69	19.1 Å²	19.1	48%	0.483	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	131	169.7	-177.2	0	0	0	0	110	K109	K109-S440 WeakPolarHBondContact CE-O 3.16Å
441	P	86.8	Confident	92.6	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.032	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-105.2	55.4	17.4	40.3	-32.4	0	0	0	113.7	H98 Y103 C113 A443 T444 S445	H98-P441 HydrophobicContact CB-CB 4Å; Y103-P441 HydrophobicContact CE1-CG 4.46Å; Y103-P441 HydrophobicContact CE2-CB 4.48Å; Y103-P441 HydrophobicContact CE2-CG 3.59Å; Y103-P441 VanDerWaalsContact CZ-CD 3.45Å; Y103-P441 VanDerWaalsContact OH-CB 3.3Å; Y103-P441 WeakPolarHBondContact OH-CB 3.49Å; Y103-P441 WeakPolarHBondContact OH-CD 3.47Å; Y103-P441 WeakPolarHBondContact OH-CG 3.41Å; C113-P441 HydrophobicContact CB-CG 3.64Å; C113-P441 VanDerWaalsContact SG-CG 3.5Å; P441-A443 PolarHBondContact O-N 2.87Å; P441-A443 VanDerWaalsContact O-N 3.08Å; P441-T444 WeakPolarHBondContact O-CB 3.49Å; P441-T444 PolarHBondContact O-N 2.87Å; P441-S445 WeakPolarHBondContact O-CB 3.39Å; P441-S445 PolarHBondContact O-N 3.36Å; P441-S445 PolarHBondContact O-OG 2.69Å
442	A	92.7	Very high	92.7	Very high	11 Å²	11	12.5 Å²	12.5	9%	0.091	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-33.2	-177.4	0	0	0	0	0	115.2	V59 A438 P439 S445 S446 I449	V59-A442 HydrophobicContact CG2-CB 4.21Å; A438-A442 HydrophobicContact CB-CB 4.14Å; A438-A442 WeakPolarHBondContact O-CB 3.29Å; P439-A442 WeakPolarHBondContact O-CB 3.29Å; P439-A442 PolarHBondContact O-N 3.47Å; A442-S445 CarbonylContact O-C 3.57Å; A442-S445 PolarHBondContact O-N 2.99Å; A442-S446 VanDerWaalsContact O-CA 3.25Å; A442-S446 WeakPolarHBondContact O-CA 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.43Å; A442-S446 PolarHBondContact O-N 2.66Å; A442-I449 HydrophobicContact CB-CD1 3.92Å
443	A	96.1	Very high	92.7	Very high	20 Å²	20	12.5 Å²	12.5	17%	0.165	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-48.3	176.6	0	0	0	0	0	112.2	I58 Y195 P441 S445 S446	I58-A443 HydrophobicContact CD1-CB 4.39Å; I58-A443 HydrophobicContact CG2-CB 4.44Å; Y195-A443 HydrophobicContact CD1-CB 3.68Å; Y195-A443 HydrophobicContact CD2-CB 3.94Å; Y195-A443 HydrophobicContact CE1-CB 3.6Å; Y195-A443 WeakPolarHBondContact CE1-O 3.47Å; Y195-A443 HydrophobicContact CE2-CB 3.86Å; Y195-A443 HydrophobicContact CG-CB 3.83Å; P441-A443 PolarHBondContact O-N 2.87Å; P441-A443 VanDerWaalsContact O-N 3.08Å; A443-S445 PolarHBondContact O-N 3.22Å; A443-S446 WeakPolarHBondContact O-CB 3.39Å; A443-S446 PolarHBondContact O-N 2.84Å; A443-S446 PolarHBondContact O-OG 3.33Å
444	T	97.3	Very high	92.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.6	172.2	-56.4	0	0	0	0	111.4	V96 I97 H98 G116 A117 Y195 P441 S446	V96-T444 PolarHBondContact O-OG1 2.82Å; I97-T444 HydrophobicContact CG2-CG2 3.95Å; H98-T444 PolarHBondContact N-OG1 2.58Å; H98-T444 VanDerWaalsContact N-OG1 3.1Å; G116-T444 CarbonylContact C-O 3.43Å; A117-T444 HydrophobicContact CB-CG2 3.81Å; Y195-T444 WeakPolarHBondContact OH-CA 3.35Å; Y195-T444 PolarHBondContact OH-N 3.26Å; Y195-T444 PolarHBondContact OH-OG1 2.86Å; P441-T444 WeakPolarHBondContact O-CB 3.49Å; P441-T444 PolarHBondContact O-N 2.87Å; T444-S446 VanDerWaalsContact C-N 3.31Å; T444-S446 PolarHBondContact O-N 2.78Å
445	S	96.3	Very high	92.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.7	-173.8	-47	0	0	0	0	113.3	L112 C113 P441 A442 A443 L447 A448 I449	L112-S445 PolarHBondContact O-OG 3.44Å; C113-S445 VanDerWaalsContact CA-OG 3.31Å; C113-S445 WeakPolarHBondContact CA-OG 3.16Å; C113-S445 PolarHBondContact N-OG 3.49Å; P441-S445 WeakPolarHBondContact O-CB 3.39Å; P441-S445 PolarHBondContact O-N 3.36Å; P441-S445 PolarHBondContact O-OG 2.69Å; A442-S445 CarbonylContact O-C 3.57Å; A442-S445 PolarHBondContact O-N 2.99Å; A443-S445 PolarHBondContact O-N 3.22Å; S445-L447 PolarHBondContact O-N 3.43Å; S445-A448 PolarHBondContact O-N 3.21Å; S445-I449 WeakPolarHBondContact O-CB 3.3Å; S445-I449 VanDerWaalsContact O-CG1 3.27Å; S445-I449 WeakPolarHBondContact O-CG1 3.32Å; S445-I449 PolarHBondContact O-N 2.93Å
446	S	97.5	Very high	92.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.3	-42.7	-164.9	49.7	0	0	0	0	113.8	A442 A443 T444 S450	A442-S446 VanDerWaalsContact O-CA 3.25Å; A442-S446 WeakPolarHBondContact O-CA 3.31Å; A442-S446 WeakPolarHBondContact O-CB 3.43Å; A442-S446 PolarHBondContact O-N 2.66Å; A443-S446 WeakPolarHBondContact O-CB 3.39Å; A443-S446 PolarHBondContact O-N 2.84Å; A443-S446 PolarHBondContact O-OG 3.33Å; T444-S446 VanDerWaalsContact C-N 3.31Å; T444-S446 PolarHBondContact O-N 2.78Å; S446-S450 WeakPolarHBondContact O-CB 3.45Å; S446-S450 PolarHBondContact O-N 3.04Å; S446-S450 PolarHBondContact O-OG 3.49Å
447	L	98.1	Very high	92.7	Very high	24 Å²	24	18.3 Å²	18.3	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-69.5	-33.9	176.4	-72.2	167.9	0	0	0	113.5	L119 Y123 F202 S445 S450 G451	L119-L447 HydrophobicContact CB-CB 4.04Å; L119-L447 HydrophobicContact CB-CD1 3.95Å; L119-L447 HydrophobicContact CD1-CB 4.09Å; Y123-L447 HydrophobicContact CD2-CD1 4.41Å; Y123-L447 HydrophobicContact CG-CD1 4.08Å; F202-L447 HydrophobicContact CE1-CD1 4.37Å; F202-L447 HydrophobicContact CE1-CD2 3.66Å; F202-L447 HydrophobicContact CE1-CG 4.1Å; F202-L447 HydrophobicContact CZ-CD1 4.22Å; F202-L447 HydrophobicContact CZ-CD2 3.71Å; F202-L447 HydrophobicContact CZ-CG 3.74Å; S445-L447 PolarHBondContact O-N 3.43Å; L447-S450 WeakPolarHBondContact CA-OG 3.09Å; L447-S450 PolarHBondContact O-OG 2.94Å; L447-G451 PolarHBondContact O-N 2.95Å
448	A	96.5	Very high	92.9	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-74.7	-41.6	177	0	0	0	0	0	110.8	L112 Q115 L119 S445 G451 M452	L112-A448 HydrophobicContact CB-CB 4.32Å; L112-A448 HydrophobicContact CD2-CB 3.74Å; Q115-A448 HydrophobicContact CG-CB 4.32Å; L119-A448 HydrophobicContact CD1-CB 4.21Å; S445-A448 PolarHBondContact O-N 3.21Å; A448-G451 PolarHBondContact O-N 3.25Å; A448-M452 PolarHBondContact O-N 3.32Å
449	I	95.5	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-43.8	175.2	-67.6	163.8	0	0	0	110.6	V59 L112 F419 A442 S445 G451 M452 I453	V59-I449 HydrophobicContact CG1-CG2 4.17Å; L112-I449 HydrophobicContact CD1-CG1 4.13Å; F419-I449 HydrophobicContact CE1-CD1 3.58Å; F419-I449 HydrophobicContact CE1-CG1 3.72Å; F419-I449 HydrophobicContact CE1-CG2 3.99Å; F419-I449 HydrophobicContact CE2-CG1 4.37Å; F419-I449 HydrophobicContact CZ-CD1 3.4Å; F419-I449 HydrophobicContact CZ-CG1 3.48Å; F419-I449 VanDerWaalsContact CZ-CG1 3.48Å; A442-I449 HydrophobicContact CB-CD1 3.92Å; S445-I449 WeakPolarHBondContact O-CB 3.3Å; S445-I449 VanDerWaalsContact O-CG1 3.27Å; S445-I449 WeakPolarHBondContact O-CG1 3.32Å; S445-I449 PolarHBondContact O-N 2.93Å; I449-G451 VanDerWaalsContact C-N 3.27Å; I449-G451 PolarHBondContact O-N 3.01Å; I449-M452 WeakPolarHBondContact O-CB 3.44Å; I449-M452 PolarHBondContact O-N 3.26Å; I449-M452 VanDerWaalsContact O-N 3.16Å; I449-I453 HydrophobicContact CG2-CD1 3.64Å; I449-I453 HydrophobicContact CG2-CG1 4.24Å; I449-I453 WeakPolarHBondContact O-CG1 3.28Å; I449-I453 PolarHBondContact O-N 2.92Å
450	S	96.9	Very high	94	Very high	3 Å²	3	31 Å²	31	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-31.5	179.7	62.7	0	0	0	0	112.9	A62 S446 L447 I453 A454	A62-S450 WeakPolarHBondContact O-CB 3.43Å; A62-S450 PolarHBondContact O-OG 3.34Å; S446-S450 WeakPolarHBondContact O-CB 3.45Å; S446-S450 PolarHBondContact O-N 3.04Å; S446-S450 PolarHBondContact O-OG 3.49Å; L447-S450 WeakPolarHBondContact CA-OG 3.09Å; L447-S450 PolarHBondContact O-OG 2.94Å; S450-I453 PolarHBondContact O-N 3.41Å; S450-A454 VanDerWaalsContact O-CB 3.27Å; S450-A454 WeakPolarHBondContact O-CB 3.44Å; S450-A454 PolarHBondContact O-N 3.38Å
451	G	96.1	Very high	94.9	Very high	16 Å²	16	27.9 Å²	27.9	17%	0.165	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-49	169.6	0	0	0	0	0	112	R70 L447 A448 I449 A454 D455	R70-G451 PolarHBondContact NH2-O 2.93Å; L447-G451 PolarHBondContact O-N 2.95Å; A448-G451 PolarHBondContact O-N 3.25Å; I449-G451 VanDerWaalsContact C-N 3.27Å; I449-G451 PolarHBondContact O-N 3.01Å; G451-A454 PolarHBondContact O-N 3.4Å; G451-D455 PolarHBondContact O-N 3.05Å
452	M	94.6	Very high	95.1	Very high	44 Å²	44	36.2 Å²	36.2	22%	0.217	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-42.9	176.6	179.7	-177	-71.4	0	0	112.6	L108 L112 F421 A448 I449 A454 D455 E456	L108-M452 HydrophobicContact CD1-CE 4.2Å; L108-M452 HydrophobicContact CD2-CE 3.95Å; L112-M452 HydrophobicContact CD1-CE 3.82Å; L112-M452 HydrophobicContact CD1-SD 4.4Å; L112-M452 HydrophobicContact CD2-CE 4.13Å; L112-M452 HydrophobicContact CG-CE 4.38Å; F421-M452 HydrophobicContact CE2-CG 4.16Å; F421-M452 HydrophobicContact CE2-SD 3.76Å; F421-M452 HydrophobicContact CZ-CG 4.24Å; F421-M452 HydrophobicContact CZ-SD 3.97Å; A448-M452 PolarHBondContact O-N 3.32Å; I449-M452 WeakPolarHBondContact O-CB 3.44Å; I449-M452 PolarHBondContact O-N 3.26Å; I449-M452 VanDerWaalsContact O-N 3.16Å; M452-A454 VanDerWaalsContact C-N 3.31Å; M452-A454 PolarHBondContact O-N 3.28Å; M452-D455 PolarHBondContact O-N 3.46Å; M452-E456 PolarHBondContact O-N 2.99Å
453	I	95.9	Very high	94.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-42.8	175.5	-69.5	166.9	0	0	0	110.1	V59 S63 V256 F421 L433 V435 I449 S450 E456 V457	V59-I453 HydrophobicContact CG1-CD1 3.86Å; S63-I453 VanDerWaalsContact OG-CD1 3.25Å; S63-I453 WeakPolarHBondContact OG-CD1 3.23Å; V256-I453 HydrophobicContact CG1-CG2 4.01Å; F421-I453 HydrophobicContact CE1-CG1 3.86Å; F421-I453 HydrophobicContact CZ-CG1 4.14Å; L433-I453 HydrophobicContact CD2-CG2 4.36Å; V435-I453 HydrophobicContact CG2-CD1 3.79Å; V435-I453 HydrophobicContact CG2-CG1 4.13Å; I449-I453 HydrophobicContact CG2-CD1 3.64Å; I449-I453 HydrophobicContact CG2-CG1 4.24Å; I449-I453 WeakPolarHBondContact O-CG1 3.28Å; I449-I453 PolarHBondContact O-N 2.92Å; S450-I453 PolarHBondContact O-N 3.41Å; I453-E456 PolarHBondContact O-N 2.83Å; I453-V457 HydrophobicContact CG2-CG2 4.23Å; I453-V457 WeakPolarHBondContact O-CB 3.07Å; I453-V457 WeakPolarHBondContact O-CG2 3.41Å; I453-V457 PolarHBondContact O-N 3.26Å
454	A	96.9	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-37.7	178.3	0	0	0	0	0	112.4	A66 L67 S450 G451 M452 V457 Q458	A66-A454 HydrophobicContact CB-CB 4.2Å; L67-A454 HydrophobicContact CD2-CB 3.89Å; L67-A454 HydrophobicContact CG-CB 4.38Å; S450-A454 VanDerWaalsContact O-CB 3.27Å; S450-A454 WeakPolarHBondContact O-CB 3.44Å; S450-A454 PolarHBondContact O-N 3.38Å; G451-A454 PolarHBondContact O-N 3.4Å; M452-A454 VanDerWaalsContact C-N 3.31Å; M452-A454 PolarHBondContact O-N 3.28Å; A454-V457 PolarHBondContact O-N 2.81Å; A454-Q458 WeakPolarHBondContact O-CB 3.49Å; A454-Q458 PolarHBondContact O-N 2.89Å
455	D	95.4	Very high	94.7	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-46.4	173.7	-61.7	-20.8	0	0	0	111	R70 G451 M452 Q458 Q459	R70-D455 IonicContact CZ-OD1 3.06Å; R70-D455 VanDerWaalsContact CZ-OD1 3.28Å; R70-D455 IonicContact NH1-OD1 3.12Å; R70-D455 PolarHBondContact NH1-OD1 2.98Å; R70-D455 IonicContact NH2-OD1 2.73Å; R70-D455 PolarHBondContact NH2-OD1 2.99Å; G451-D455 PolarHBondContact O-N 3.05Å; M452-D455 PolarHBondContact O-N 3.46Å; D455-Q458 PolarHBondContact O-N 3.28Å; D455-Q459 WeakPolarHBondContact O-CB 3.42Å; D455-Q459 PolarHBondContact O-N 2.69Å
456	E	93.9	Very high	94.6	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.21	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-42.2	177.5	179.6	65	-156.8	0	0	111.8	L433 M452 I453 Q459 R460	L433-E456 HydrophobicContact CD1-CG 3.69Å; L433-E456 HydrophobicContact CD2-CB 4.14Å; L433-E456 HydrophobicContact CD2-CG 3.68Å; L433-E456 HydrophobicContact CG-CG 4.35Å; M452-E456 PolarHBondContact O-N 2.99Å; I453-E456 PolarHBondContact O-N 2.83Å; E456-Q459 PolarHBondContact O-N 3.33Å; E456-R460 WeakPolarHBondContact O-CB 3.37Å; E456-R460 PolarHBondContact O-N 2.88Å; E456-R460 IonicContact OE1-CZ 3.54Å; E456-R460 IonicContact OE1-NE 2.94Å; E456-R460 PolarHBondContact OE1-NE 3.11Å; E456-R460 IonicContact OE1-NH2 3.54Å; E456-R460 PolarHBondContact OE1-NH2 2.93Å
457	V	95.3	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-46.8	175.7	162.7	0	0	0	0	110.9	I51 L67 V256 L433 I453 A454 Q459 R460 F461 L463	I51-V457 HydrophobicContact CD1-CG1 4.26Å; L67-V457 HydrophobicContact CD1-CG1 4.42Å; L67-V457 HydrophobicContact CD2-CB 3.88Å; L67-V457 HydrophobicContact CD2-CG1 3.49Å; L67-V457 VanDerWaalsContact CD2-CG1 3.49Å; L67-V457 HydrophobicContact CD2-CG2 4.36Å; V256-V457 HydrophobicContact CG2-CG2 3.54Å; L433-V457 HydrophobicContact CD2-CG2 3.62Å; I453-V457 HydrophobicContact CG2-CG2 4.23Å; I453-V457 WeakPolarHBondContact O-CB 3.07Å; I453-V457 WeakPolarHBondContact O-CG2 3.41Å; I453-V457 PolarHBondContact O-N 3.26Å; A454-V457 PolarHBondContact O-N 2.81Å; V457-Q459 PolarHBondContact O-N 3.49Å; V457-R460 PolarHBondContact O-N 3.01Å; V457-F461 HydrophobicContact CB-CD2 4.42Å; V457-F461 HydrophobicContact CB-CE2 4.44Å; V457-F461 HydrophobicContact CG1-CD2 3.65Å; V457-F461 HydrophobicContact CG1-CE2 3.94Å; V457-F461 HydrophobicContact CG2-CE2 4.18Å; V457-F461 WeakPolarHBondContact O-CB 3.42Å; V457-F461 PolarHBondContact O-N 3.16Å; V457-L463 HydrophobicContact CG1-CD1 3.71Å
458	Q	94.5	Very high	94.2	Very high	85 Å²	85	48.6 Å²	48.6	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-45.5	178.8	-177.6	173.9	-0.8	0	0	111.4	A454 D455 E462 L463	A454-Q458 WeakPolarHBondContact O-CB 3.49Å; A454-Q458 PolarHBondContact O-N 2.89Å; D455-Q458 PolarHBondContact O-N 3.28Å; Q458-E462 WeakPolarHBondContact O-CA 3.27Å; Q458-E462 PolarHBondContact O-N 3.37Å; Q458-E462 VanDerWaalsContact O-N 3.12Å; Q458-L463 PolarHBondContact O-N 2.64Å
459	Q	92.6	Very high	94.1	Very high	151 Å²	151	51.4 Å²	51.4	71%	0.706	25%	0.249	S	C	*	.	H	α-helix	trans	-66	-43.9	178.9	-177	176.8	0.2	0	0	112.2	D455 E456 V457	D455-Q459 WeakPolarHBondContact O-CB 3.42Å; D455-Q459 PolarHBondContact O-N 2.69Å; E456-Q459 PolarHBondContact O-N 3.33Å; V457-Q459 PolarHBondContact O-N 3.49Å
460	R	90.6	Very high	94	Very high	84 Å²	84	55.1 Å²	55.1	32%	0.317	27%	0.267	S	S	.	.	H	α-helix	trans	-75.9	-38.3	-173	-178.4	174.6	-68.8	-86.7	-4	113.2	A423 E456 V457	A423-R460 VanDerWaalsContact CB-NH1 3.3Å; E456-R460 WeakPolarHBondContact O-CB 3.37Å; E456-R460 PolarHBondContact O-N 2.88Å; E456-R460 IonicContact OE1-CZ 3.54Å; E456-R460 IonicContact OE1-NE 2.94Å; E456-R460 PolarHBondContact OE1-NE 3.11Å; E456-R460 IonicContact OE1-NH2 3.54Å; E456-R460 PolarHBondContact OE1-NH2 2.93Å; V457-R460 PolarHBondContact O-N 3.01Å
461	F	93.2	Very high	93.7	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-97.2	-1.7	-176.1	-57.7	-23.5	0	0	0	113	Y254 V256 N430 L433 V457 L463	Y254-F461 VanDerWaalsContact CB-CE2 3.5Å; Y254-F461 HydrophobicContact CD1-CB 3.7Å; Y254-F461 AromaticContact CD1-CD1 3.27Å; Y254-F461 HydrophobicContact CD1-CD1 3.27Å; Y254-F461 AromaticContact CD1-CD2 3.63Å; Y254-F461 HydrophobicContact CD1-CD2 3.63Å; Y254-F461 AromaticContact CD1-CE1 3.75Å; Y254-F461 HydrophobicContact CD1-CE1 3.75Å; Y254-F461 HydrophobicContact CD1-CE2 4.11Å; Y254-F461 AromaticContact CD1-CG 3.23Å; Y254-F461 HydrophobicContact CD1-CG 3.23Å; Y254-F461 HydrophobicContact CD1-CZ 4.16Å; Y254-F461 HydrophobicContact CD2-CB 4.25Å; Y254-F461 HydrophobicContact CD2-CD2 4.19Å; Y254-F461 HydrophobicContact CD2-CG 4.28Å; Y254-F461 HydrophobicContact CE1-CB 3.55Å; Y254-F461 AromaticContact CE1-CD1 3.66Å; Y254-F461 HydrophobicContact CE1-CD1 3.66Å; Y254-F461 HydrophobicContact CE1-CD2 4.38Å; Y254-F461 HydrophobicContact CE1-CE1 4.49Å; Y254-F461 AromaticContact CE1-CG 3.61Å; Y254-F461 HydrophobicContact CE1-CG 3.61Å; Y254-F461 HydrophobicContact CE2-CB 4.14Å; Y254-F461 HydrophobicContact CG-CB 4.05Å; Y254-F461 HydrophobicContact CG-CD1 4.07Å; Y254-F461 AromaticContact CG-CD2 3.52Å; Y254-F461 HydrophobicContact CG-CD2 3.52Å; Y254-F461 HydrophobicContact CG-CE1 4.44Å; Y254-F461 AromaticContact CG-CE2 3.98Å; Y254-F461 HydrophobicContact CG-CE2 3.98Å; Y254-F461 AromaticContact CG-CG 3.62Å; Y254-F461 HydrophobicContact CG-CG 3.62Å; Y254-F461 HydrophobicContact CG-CZ 4.41Å; Y254-F461 PolarHBondContact OH-O 2.67Å; V256-F461 HydrophobicContact CG2-CE2 4.12Å; N430-F461 WeakPolarHBondContact O-CD1 3.05Å; L433-F461 HydrophobicContact CB-CZ 4.09Å; V457-F461 HydrophobicContact CB-CD2 4.42Å; V457-F461 HydrophobicContact CB-CE2 4.44Å; V457-F461 HydrophobicContact CG1-CD2 3.65Å; V457-F461 HydrophobicContact CG1-CE2 3.94Å; V457-F461 HydrophobicContact CG2-CE2 4.18Å; V457-F461 WeakPolarHBondContact O-CB 3.42Å; V457-F461 PolarHBondContact O-N 3.16Å; F461-L463 HydrophobicContact CB-CD1 4.24Å; F461-L463 HydrophobicContact CB-CD2 4.1Å; F461-L463 HydrophobicContact CB-CG 3.83Å; F461-L463 HydrophobicContact CD2-CD1 4.5Å
462	E	91.1	Very high	93.5	Very high	179 Å²	179	62.7 Å²	62.7	84%	0.836	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	48.9	178.7	-57.5	179.9	177.6	0	0	112.4	Q458	Q458-E462 WeakPolarHBondContact O-CA 3.27Å; Q458-E462 PolarHBondContact O-N 3.37Å; Q458-E462 VanDerWaalsContact O-N 3.12Å
463	L	88.5	Confident	93.5	Very high	75 Å²	75	64.4 Å²	64.4	39%	0.393	30%	0.303	S	S	.	.			trans	-87.5	0	-174.9	-58	176.7	0	0	0	115.4	I51 L74 Y254 V457 Q458 F461	I51-L463 HydrophobicContact CD1-CD1 3.67Å; L74-L463 HydrophobicContact CD1-CD1 4.04Å; L74-L463 HydrophobicContact CD1-CD2 4.16Å; Y254-L463 HydrophobicContact CD2-CD2 4.45Å; Y254-L463 HydrophobicContact CE2-CD2 4.06Å; V457-L463 HydrophobicContact CG1-CD1 3.71Å; Q458-L463 PolarHBondContact O-N 2.64Å; F461-L463 HydrophobicContact CB-CD1 4.24Å; F461-L463 HydrophobicContact CB-CD2 4.1Å; F461-L463 HydrophobicContact CB-CG 3.83Å; F461-L463 HydrophobicContact CD2-CD1 4.5Å

Retrieved 463 of 463 residues in 843.3 ms (Link to these results)

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